| 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 | 48.5 | Very low | 64.2 | Low | 169 Ų | 169 | 85.6 Ų | 85.6 | 83% | 0.833 | 44% | 0.442 | S | S | * | . | 0 | 92.8 | 0 | -86.4 | -73.2 | 168.3 | 0 | 0 | 103.6 | T3 D137 | M1-T3 PolarHBondContact O-N 3.01Å; M1-T3 VanDerWaalsContact O-N 3.07Å; M1-T3 PolarHBondContact O-OG1 2.87Å; M1-D137 HydrophobicContact CE-CB 4.12Å; M1-D137 WeakPolarHBondContact CE-OD2 3.35Å; M1-D137 VanDerWaalsContact SD-OD2 3.39Å | |||
| 2 | D | 54.1 | Low | 63.4 | Low | 107 Ų | 107 | 87.4 Ų | 87.4 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | trans | -88.6 | 92.9 | -160.5 | -46.3 | -30.4 | 0 | 0 | 0 | 107.4 | A4 | D2-A4 PolarHBondContact O-N 3.45Š| ||
| 3 | T | 64 | Low | 62.8 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 60% | 0.595 | 48% | 0.479 | S | S | * | . | trans | -77.7 | 75.6 | 179.1 | -41.1 | 0 | 0 | 0 | 0 | 108.3 | M1 V5 S285 | M1-T3 PolarHBondContact O-N 3.01Å; M1-T3 VanDerWaalsContact O-N 3.07Å; M1-T3 PolarHBondContact O-OG1 2.87Å; T3-V5 HydrophobicContact CG2-CG2 4.02Å; T3-V5 PolarHBondContact O-N 3.13Å; T3-S285 VanDerWaalsContact CG2-O 3.26Å; T3-S285 WeakPolarHBondContact CG2-O 3.36Å | ||
| 4 | A | 65.6 | Low | 61.9 | Low | 20 Ų | 20 | 100.1 Ų | 100.1 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | trans | -77 | 112 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | D2 Y259 G283 | D2-A4 PolarHBondContact O-N 3.45Å; A4-Y259 HydrophobicContact CB-CD2 3.93Å; A4-Y259 HydrophobicContact CB-CE2 3.79Å; A4-Y259 WeakPolarHBondContact O-CD2 3.33Å; A4-G283 WeakPolarHBondContact O-CA 3.28Å | ||
| 5 | V | 75.7 | Confident | 61.1 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | T3 V7 I281 F286 | T3-V5 HydrophobicContact CG2-CG2 4.02Å; T3-V5 PolarHBondContact O-N 3.13Å; V5-V7 HydrophobicContact CG1-CG2 4.1Å; V5-I281 HydrophobicContact CG1-CG2 3.94Å; V5-F286 HydrophobicContact CG2-CB 4.16Å |
| 6 | A | 74.2 | Confident | 60.6 | Low | 6 Ų | 6 | 109.9 Ų | 109.9 | 5% | 0.05 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | F260 V282 | A6-F260 HydrophobicContact CB-CB 4Å; A6-V282 PolarHBondContact N-O 2.6Å; A6-V282 PolarHBondContact O-N 2.79Å |
| 7 | V | 78.3 | Confident | 60.1 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.1 | 172.9 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | V5 T9 I281 | V5-V7 HydrophobicContact CG1-CG2 4.1Å; V7-T9 HydrophobicContact CG1-CG2 4.27Å; V7-I281 HydrophobicContact CG1-CD1 4.42Å; V7-I281 HydrophobicContact CG1-CG1 4.24Å; V7-I281 HydrophobicContact CG2-CD1 4.34Å; V7-I281 HydrophobicContact CG2-CG1 4.23Å |
| 8 | T | 71.3 | Confident | 59.6 | Low | 4 Ų | 4 | 111.9 Ų | 111.9 | 3% | 0.025 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 95.8 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 109.2 | F260 A263 Q279 V280 | T8-F260 HydrophobicContact CG2-CD2 3.92Å; T8-F260 HydrophobicContact CG2-CE2 3.9Å; T8-A263 HydrophobicContact CG2-CB 3.75Å; T8-Q279 PolarHBondContact O-OE1 3.24Å; T8-Q279 VanDerWaalsContact O-OE1 3.08Å; T8-V280 PolarHBondContact N-O 3.3Å; T8-V280 PolarHBondContact OG1-O 3.08Å |
| 9 | T | 67.8 | Low | 59.4 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 60% | 0.601 | 58% | 0.583 | S | S | * | * | trans | -94.5 | 122.1 | 164.4 | 49.6 | 0 | 0 | 0 | 0 | 107.3 | V7 Q279 | V7-T9 HydrophobicContact CG1-CG2 4.27Å; T9-Q279 VanDerWaalsContact CG2-OE1 3.25Å | ||
| 10 | F | 53 | Low | 59.6 | Low | 89 Ų | 89 | 112.3 Ų | 112.3 | 39% | 0.39 | 59% | 0.587 | S | S | . | * | trans | -104.6 | 130.9 | 164.2 | -71 | -104.3 | 0 | 0 | 0 | 106.7 | T264 K267 | F10-T264 HydrophobicContact CE2-CG2 4.29Å; F10-T264 HydrophobicContact CZ-CG2 3.96Å; F10-K267 HydrophobicContact CD2-CD 3.42Å; F10-K267 VanDerWaalsContact CD2-CD 3.42Å; F10-K267 HydrophobicContact CE2-CD 3.86Å; F10-K267 HydrophobicContact CG-CD 4.47Å | ||
| 11 | R | 54.1 | Low | 59.5 | Low | 219 Ų | 219 | 114.7 Ų | 114.7 | 83% | 0.826 | 60% | 0.6 | S | S | * | * | trans | -88.8 | 130.1 | 162.3 | -75.9 | -174.9 | 166.3 | -175.6 | -3.5 | 106.7 | E13 | R11-E13 PolarHBondContact O-N 3.1Š| ||
| 12 | D | 53.9 | Low | 60.5 | Low | 107 Ų | 107 | 114 Ų | 114 | 57% | 0.572 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 29.4 | 179.9 | -70.6 | -32.5 | 0 | 0 | 0 | 113.5 | ||
| 13 | E | 55.4 | Low | 61.7 | Low | 168 Ų | 168 | 114.1 Ų | 114.1 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -0.7 | -175.7 | -62.9 | -141.3 | 125.3 | 0 | 0 | 114.7 | R11 K15 | R11-E13 PolarHBondContact O-N 3.1Å; E13-K15 PolarHBondContact O-N 3.02Å |
| 14 | E | 51.2 | Low | 62.6 | Low | 184 Ų | 184 | 115.1 Ų | 115.1 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | trans | -79.8 | 70.6 | 163.2 | -77.4 | -164.1 | 144.5 | 0 | 0 | 110.2 | L16 | E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 3.3Å | ||
| 15 | K | 49.9 | Very low | 63.2 | Low | 195 Ų | 195 | 119.7 Ų | 119.7 | 85% | 0.848 | 64% | 0.642 | S | S | * | * | trans | -62.4 | 97.4 | 157.8 | -143.1 | -178.9 | -169.7 | -176 | 0 | 106.1 | E13 L17 | E13-K15 PolarHBondContact O-N 3.02Å; K15-L17 PolarHBondContact O-N 2.86Å | ||
| 16 | L | 52.1 | Low | 63.5 | Low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | trans | -47 | 108.8 | 168.5 | -72.4 | 167.5 | 0 | 0 | 0 | 108 | E14 S18 | E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 3.3Å; L16-S18 PolarHBondContact O-N 3.04Å | ||
| 17 | L | 52.4 | Low | 63.3 | Low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 70% | 0.703 | S | S | * | * | trans | -57.6 | 112.2 | 165.7 | -74.8 | 163.4 | 0 | 0 | 0 | 106.2 | K15 | K15-L17 PolarHBondContact O-N 2.86Š| ||
| 18 | S | 51.9 | Low | 62.7 | Low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | -55.9 | 131.5 | 170.8 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | L16 T20 | L16-S18 PolarHBondContact O-N 3.04Å; S18-T20 VanDerWaalsContact C-N 3.28Å; S18-T20 PolarHBondContact O-N 3.36Å | ||
| 19 | P | 56.1 | Low | 61.9 | Low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -75.3 | 81.5 | 179.2 | 31 | -32.6 | 0 | 0 | 0 | 109.2 | ||
| 20 | T | 63.6 | Low | 61.4 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | -135.4 | 2.4 | 178.4 | -32 | 0 | 0 | 0 | 0 | 114.8 | S18 | S18-T20 VanDerWaalsContact C-N 3.28Å; S18-T20 PolarHBondContact O-N 3.36Å | ||
| 21 | D | 56.9 | Low | 61.2 | Low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -129.7 | 45.4 | 175.8 | -83.5 | -40.1 | 0 | 0 | 0 | 112.6 | ||||
| 22 | L | 69.3 | Low | 60.7 | Low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96 | 124 | 163.9 | -74.2 | 175.1 | 0 | 0 | 0 | 109.5 | ||
| 23 | P | 79.9 | Confident | 59.9 | Low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.3 | 172.3 | 26.3 | -32.6 | 0 | 0 | 0 | 109.7 | ||
| 24 | P | 82.2 | Confident | 59.1 | Low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139.5 | 177.5 | 24.8 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 25 | P | 78.9 | Confident | 58.2 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.6 | 175.9 | 25.9 | -32.9 | 0 | 0 | 0 | 110.3 | S27 | P25-S27 PolarHBondContact O-N 3.01Š|
| 26 | P | 80.3 | Confident | 57.5 | Low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.2 | 176 | 25.7 | -32.5 | 0 | 0 | 0 | 110.5 | S28 | P26-S28 PolarHBondContact O-N 3.22Š|
| 27 | S | 71.2 | Confident | 56.3 | Low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 108.3 | 170.6 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | P25 | P25-S27 PolarHBondContact O-N 3.01Š| ||
| 28 | S | 64.6 | Low | 55.5 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -158.4 | 119.2 | 158.5 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | P26 | P26-S28 PolarHBondContact O-N 3.22Š| ||
| 29 | D | 56.1 | Low | 54.5 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -53.6 | 134.7 | 169.7 | -58.2 | -65.6 | 0 | 0 | 0 | 112.1 | ||||
| 30 | G | 57.2 | Low | 53.8 | Low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 178.2 | 91.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V32 | G30-V32 PolarHBondContact O-N 3.45Š| ||
| 31 | N | 47.2 | Very low | 52.8 | Low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -67.1 | 113.5 | 177.1 | -173.9 | 19.3 | 0 | 0 | 0 | 111.9 | ||||
| 32 | V | 44.9 | Very low | 51.8 | Low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -148.1 | 124.9 | 159.3 | -173 | 0 | 0 | 0 | 0 | 110.2 | G30 | G30-V32 PolarHBondContact O-N 3.45Š| ||
| 33 | S | 36.2 | Very low | 50.3 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -80.3 | 129.7 | 167.1 | -68.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | A | 39.5 | Very low | 48.1 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -166.5 | 116 | 152 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | V | 31.6 | Very low | 45.9 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -3.4 | 120.3 | 143.5 | -178.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 36 | V | 34.5 | Very low | 43.7 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -151.8 | 117.1 | 140.1 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | V38 | V36-V38 HydrophobicContact CG1-CG2 4.06Š| ||
| 37 | Q | 28.8 | Very low | 41.3 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 134.3 | 158.9 | -80.6 | 170.4 | -78.9 | 0 | 0 | 109.3 | ||||
| 38 | V | 35.1 | Very low | 39.4 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -136.6 | 101.9 | 149.2 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | V36 | V36-V38 HydrophobicContact CG1-CG2 4.06Š| ||
| 39 | E | 30.7 | Very low | 37.8 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -79 | 135.4 | 158 | -63.1 | 175.9 | 149.7 | 0 | 0 | 107.4 | ||||
| 40 | S | 41.7 | Very low | 36.8 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -153.7 | 93.2 | 161 | 58 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 41 | E | 42.1 | Very low | 35.5 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | 54.1 | 89.9 | 93.6 | -61.6 | -169 | 152.7 | 0 | 0 | 109.8 | |||||
| 42 | N | 35.2 | Very low | 35 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 56.1 | 54.7 | 63.8 | -127.5 | 34.6 | 0 | 0 | 0 | 113.8 | I44 | N42-I44 PolarHBondContact O-N 3.35Š| |||
| 43 | E | 37.8 | Very low | 34.5 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -81.7 | 98.7 | 164.3 | -84.9 | -166.9 | 139.8 | 0 | 0 | 111.2 | ||||
| 44 | I | 34 | Very low | 34.7 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -85.9 | 109.1 | 162.3 | -62.2 | 169.6 | 0 | 0 | 0 | 106.5 | N42 N46 | N42-I44 PolarHBondContact O-N 3.35Å; I44-N46 PolarHBondContact O-N 2.88Å | ||
| 45 | S | 36.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 153 Ų | 153 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -77.1 | 110.8 | 166.9 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | V47 | S45-V47 PolarHBondContact O-N 2.87Š| ||
| 46 | N | 32.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 156 Ų | 156 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -64.7 | 123 | 172.3 | -75.3 | -48.7 | 0 | 0 | 0 | 110.2 | I44 | I44-N46 PolarHBondContact O-N 2.88Š| ||
| 47 | V | 29.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | trans | -95.7 | 111.5 | 164.4 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | S45 L49 | S45-V47 PolarHBondContact O-N 2.87Å; V47-L49 PolarHBondContact O-N 3.39Å | ||
| 48 | Q | 31.2 | Very low | 35.1 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 119 | 177.5 | -166.6 | 172.2 | -3.5 | 0 | 0 | 109.8 | ||||
| 49 | L | 32.4 | Very low | 34.8 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 98.1 | -178.5 | -131.6 | 136.1 | 0 | 0 | 0 | 109 | V47 S51 | V47-L49 PolarHBondContact O-N 3.39Å; L49-S51 PolarHBondContact O-N 2.95Å | ||
| 50 | E | 33.9 | Very low | 34.7 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | trans | -77.5 | 112.4 | 168.9 | -73.5 | -162.1 | 143.4 | 0 | 0 | 110 | R52 | E50-R52 PolarHBondContact O-N 3.39Š| ||
| 51 | S | 30.9 | Very low | 34.1 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 112 | 171.5 | 142.2 | 0 | 0 | 0 | 0 | 109.7 | L49 | L49-S51 PolarHBondContact O-N 2.95Š| ||
| 52 | R | 36.1 | Very low | 33.4 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -132.1 | 136.6 | 157.7 | -75.2 | -168.8 | 175.1 | -179.2 | 1 | 111.4 | E50 | E50-R52 PolarHBondContact O-N 3.39Š| ||
| 53 | Q | 35.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -73.1 | 146.6 | -174.8 | -67.8 | 176.3 | -27 | 0 | 0 | 111.3 | ||||
| 54 | N | 38.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 81.8 | 132.9 | 166.9 | -73.5 | -9.4 | 0 | 0 | 0 | 119.2 | ||||
| 55 | E | 41 | Very low | 33 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 79.3 | 119.9 | 160.9 | -63.5 | 177.8 | 178.1 | 0 | 0 | 118.8 | T57 | E55-T57 PolarHBondContact O-N 3.17Š|
| 56 | Q | 35.8 | Very low | 33.1 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | 7.3 | 98.3 | 170.1 | -69.8 | 174.8 | 7.5 | 0 | 0 | 117.4 | ||||
| 57 | T | 34.2 | Very low | 33.9 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -104 | 105.9 | 171.9 | -5.5 | 0 | 0 | 0 | 0 | 110 | E55 | E55-T57 PolarHBondContact O-N 3.17Š| ||
| 58 | T | 31.8 | Very low | 34.8 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -76.9 | 113.9 | 160.5 | 38.5 | 0 | 0 | 0 | 0 | 108.4 | Q60 | T58-Q60 PolarHBondContact O-N 3.2Š| ||
| 59 | V | 30.6 | Very low | 35.9 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -80.5 | 116.2 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V61 | V59-V61 HydrophobicContact CG1-CG2 4.05Š| ||
| 60 | Q | 27.2 | Very low | 37.4 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -84.3 | 117.8 | 164 | -75.7 | -164 | -18.7 | 0 | 0 | 108.4 | T58 | T58-Q60 PolarHBondContact O-N 3.2Š| ||
| 61 | V | 30.2 | Very low | 38.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -96.2 | 104.5 | 169.6 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | V59 V63 | V59-V61 HydrophobicContact CG1-CG2 4.05Å; V61-V63 HydrophobicContact CG1-CG2 3.86Å | ||
| 62 | T | 26.3 | Very low | 39.8 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | -94.7 | 112.9 | 168.7 | -55.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 63 | V | 29.9 | Very low | 41 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -97.5 | 100.9 | 172.9 | -169.6 | 0 | 0 | 0 | 0 | 107 | V61 F65 | V61-V63 HydrophobicContact CG1-CG2 3.86Å; V63-F65 HydrophobicContact CB-CE2 4.22Å; V63-F65 HydrophobicContact CG1-CD2 3.96Å; V63-F65 HydrophobicContact CG1-CE1 4.21Å; V63-F65 HydrophobicContact CG1-CE2 3.29Å; V63-F65 HydrophobicContact CG1-CZ 3.44Å; V63-F65 VanDerWaalsContact CG1-CZ 3.44Å | ||
| 64 | S | 28.8 | Very low | 42.3 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 127 | 170.9 | -50.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 65 | F | 39.5 | Very low | 42.9 | Very low | 186 Ų | 186 | 142 Ų | 142 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -109 | 111.2 | 167.6 | -66 | -83.4 | 0 | 0 | 0 | 107.2 | V63 A67 | V63-F65 HydrophobicContact CB-CE2 4.22Å; V63-F65 HydrophobicContact CG1-CD2 3.96Å; V63-F65 HydrophobicContact CG1-CE1 4.21Å; V63-F65 HydrophobicContact CG1-CE2 3.29Å; V63-F65 HydrophobicContact CG1-CZ 3.44Å; V63-F65 VanDerWaalsContact CG1-CZ 3.44Å; F65-A67 PolarHBondContact O-N 2.94Å | ||
| 66 | D | 38.4 | Very low | 43.7 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -76.5 | 114.4 | 167 | -76.5 | -40.7 | 0 | 0 | 0 | 108 | ||||
| 67 | A | 49.1 | Very low | 44.2 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 137.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | F65 V69 | F65-A67 PolarHBondContact O-N 2.94Å; A67-V69 PolarHBondContact O-N 3.43Å; A67-V69 VanDerWaalsContact O-N 3.07Å | ||
| 68 | P | 50.1 | Low | 45.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 112.3 | 174.5 | 26.9 | -31.8 | 0 | 0 | 0 | 109.1 | K70 | P68-K70 PolarHBondContact O-N 3.21Š| ||
| 69 | V | 53.3 | Low | 45.8 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | -69.6 | 116.9 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 107 | A67 D71 | A67-V69 PolarHBondContact O-N 3.43Å; A67-V69 VanDerWaalsContact O-N 3.07Å; V69-D71 PolarHBondContact O-N 2.76Å | ||
| 70 | K | 65.1 | Low | 46.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -77.7 | 107.2 | 161.6 | -69.9 | -175.9 | 177.1 | -177 | 0 | 106.7 | P68 D72 | P68-K70 PolarHBondContact O-N 3.21Å; K70-D72 PolarHBondContact O-N 3Å | ||
| 71 | D | 51.1 | Low | 47.3 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 112.4 | 163.4 | -70.1 | -54.2 | 0 | 0 | 0 | 107.8 | V69 | V69-D71 PolarHBondContact O-N 2.76Š| ||
| 72 | D | 63.3 | Low | 48.3 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -161.5 | 124.5 | 151.8 | -84.6 | -43.1 | 0 | 0 | 0 | 110.2 | K70 | K70-D72 PolarHBondContact O-N 3Š| ||
| 73 | D | 62.2 | Low | 49.5 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 77.6 | 94.9 | 157 | -63.4 | -40.5 | 0 | 0 | 0 | 123.4 | ||||
| 74 | K | 62.2 | Low | 50 | Low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 34.1 | 130.2 | 134.6 | -79 | 176.5 | 178.8 | 172.1 | 0 | 121.5 | ||||
| 75 | P | 50.4 | Low | 50.9 | Low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -91.6 | 147.8 | 176.3 | 36.9 | -31.6 | 0 | 0 | 0 | 112.8 | ||||
| 76 | N | 58 | Low | 50.8 | Low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -119.2 | 135.2 | 156.9 | -154.1 | 3.4 | 0 | 0 | 0 | 110.5 | ||||
| 77 | V | 47.5 | Very low | 51.1 | Low | 100 Ų | 100 | 139.7 Ų | 139.7 | 61% | 0.606 | 80% | 0.798 | S | S | * | * | trans | -76.2 | 138.4 | -167 | 171 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 78 | H | 57.3 | Low | 50.6 | Low | 194 Ų | 194 | 145.1 Ų | 145.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -158.6 | 128.1 | 135.3 | -90 | -56 | 0 | 0 | 0 | 112.8 | ||||
| 79 | T | 41.4 | Very low | 50.1 | Low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -74.1 | 139 | -179.7 | -51.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 80 | A | 48.7 | Very low | 49.1 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -165.3 | 136.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | Q | 40.6 | Very low | 47.6 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -90.4 | 156.1 | -176.6 | -60.2 | 170.9 | -56.5 | 0 | 0 | 112.2 | ||||
| 82 | S | 52.1 | Low | 46.6 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | 165.7 | 103.5 | 145.7 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 83 | E | 51.3 | Low | 45.1 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | 77.5 | 117.1 | 96.3 | -69.5 | -171.1 | 175.2 | 0 | 0 | 116.4 | |||||
| 84 | S | 40 | Very low | 43.4 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -82 | 170.3 | -177.9 | -44.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 85 | P | 48 | Very low | 41.9 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | -150.1 | 148.3 | 92 | 34.8 | -14.7 | 0 | 0 | 0 | 118.7 | |||||
| 86 | S | 35.8 | Very low | 41.1 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -15.2 | 126.1 | 154.6 | 172.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 87 | V | 46.2 | Very low | 39.9 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -134.2 | 130.6 | 147.6 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 88 | K | 37.4 | Very low | 39.1 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -84.5 | 134 | -176.6 | -71.6 | 170.8 | 174.6 | 173.7 | 0 | 111.3 | ||||
| 89 | G | 40 | Very low | 37.9 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -171.3 | 90.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | G | 32.6 | Very low | 37.2 | Very low | 75 Ų | 75 | 145.7 Ų | 145.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -105.4 | 134.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 91 | Y | 33.4 | Very low | 36.2 | Very low | 232 Ų | 232 | 147.6 Ų | 147.6 | 91% | 0.91 | 81% | 0.812 | S | S | * | * | trans | -106.2 | 127.9 | 164.5 | -58 | -82.2 | 0 | 0 | 0 | 109.1 | L93 | Y91-L93 PolarHBondContact O-N 3.14Š| ||
| 92 | N | 30 | Very low | 35.5 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -77.1 | 110.2 | -178.7 | -90.6 | -58.6 | 0 | 0 | 0 | 111.3 | ||||
| 93 | L | 31 | Very low | 34.3 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | trans | -105.7 | 114.4 | 153.8 | -72.7 | 173.3 | 0 | 0 | 0 | 108.2 | Y91 C95 | Y91-L93 PolarHBondContact O-N 3.14Å; L93-C95 VanDerWaalsContact C-N 3.34Å; L93-C95 PolarHBondContact O-N 2.9Å | ||
| 94 | R | 27.8 | Very low | 33.4 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -78.6 | 83.3 | -177.5 | -159.7 | -178.9 | -161.5 | -167.8 | 4.8 | 109.8 | ||||
| 95 | C | 29.8 | Very low | 33 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 119.6 | 152 | -74.7 | 0 | 0 | 0 | 0 | 106.6 | L93 | L93-C95 VanDerWaalsContact C-N 3.34Å; L93-C95 PolarHBondContact O-N 2.9Å | ||
| 96 | Q | 33.6 | Very low | 32.6 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 153.4 | 175.1 | -74.3 | -106.8 | -11 | 0 | 0 | 109.1 | ||||
| 97 | P | 32.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 59% | 0.591 | 81% | 0.812 | S | S | * | * | -141.6 | 172.1 | -53 | 36.6 | -18.8 | 0 | 0 | 0 | 113.5 | |||||
| 98 | R | 30.7 | Very low | 32.4 | Very low | 243 Ų | 243 | 151.9 Ų | 151.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 83.5 | 128.1 | 170.6 | -52.8 | -179.9 | 170.3 | -172.8 | -3.4 | 113.9 | ||||
| 99 | S | 33.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | cis | -166.9 | 144.7 | 12.9 | 45.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 100 | V | 26.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 158.1 Ų | 158.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 53.2 | 112.6 | 144.5 | -173 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 101 | V | 27.4 | Very low | 32.8 | Very low | 142 Ų | 142 | 159.2 Ų | 159.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | -166.7 | 143.2 | 118.1 | 168.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 102 | R | 26.1 | Very low | 33.6 | Very low | 228 Ų | 228 | 156.3 Ų | 156.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 143 | -167.8 | -63.6 | 170.9 | 169.4 | 146.3 | -5.2 | 113.5 | ||||
| 103 | L | 26.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 121.3 | 160.8 | -136.4 | 86.6 | 0 | 0 | 0 | 108.1 | ||||
| 104 | V | 32.7 | Very low | 35.4 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | trans | -99.5 | 111.4 | 162.4 | 175.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 105 | D | 31.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 154.5 Ų | 154.5 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | -86.2 | 128.4 | 169.6 | -162.2 | 8.4 | 0 | 0 | 0 | 107.4 | ||||
| 106 | Q | 39.7 | Very low | 37.6 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -146.7 | 146.5 | 159.1 | -87.6 | -145.4 | 19.6 | 0 | 0 | 112.6 | ||||
| 107 | P | 34.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 137 | -163.9 | 36.4 | -29.2 | 0 | 0 | 0 | 111.5 | ||||
| 108 | A | 43.7 | Very low | 39.9 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | -110.3 | 103.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | R | 38.1 | Very low | 41.2 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -69.8 | 161.2 | 156.8 | -73.2 | 179.6 | 166.2 | -170.1 | -3.3 | 110 | ||||
| 110 | L | 43.1 | Very low | 42.6 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | 114.5 | 77.7 | 168.9 | -62.8 | 167.8 | 0 | 0 | 0 | 111.8 | ||||
| 111 | S | 36.4 | Very low | 44.3 | Very low | 99 Ų | 99 | 153 Ų | 153 | 69% | 0.692 | 83% | 0.83 | S | S | * | * | 65.4 | 94 | 84.6 | 82.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 112 | M | 51.3 | Low | 46.1 | Very low | 171 Ų | 171 | 155 Ų | 155 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | trans | -140.6 | 129.3 | 153.2 | -81.6 | -73.9 | 167.8 | 0 | 0 | 107.6 | M114 | M112-M114 PolarHBondContact O-N 2.8Š| ||
| 113 | P | 47.3 | Very low | 48.2 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 96.6 | 178.8 | 32.1 | -30.1 | 0 | 0 | 0 | 109.4 | ||||
| 114 | M | 51.2 | Low | 50.1 | Low | 179 Ų | 179 | 142.1 Ų | 142.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -86.8 | 129 | 164.6 | -78.8 | -100.3 | 138.1 | 0 | 0 | 108.8 | M112 A116 | M112-M114 PolarHBondContact O-N 2.8Å; M114-A116 PolarHBondContact O-N 2.73Å | ||
| 115 | K | 55.8 | Low | 52.3 | Low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -48.6 | 131.1 | -176.6 | -75.2 | 173.9 | 174.5 | 175 | 0 | 111.7 | G117 | K115-G117 PolarHBondContact O-N 2.94Š| ||
| 116 | A | 49.1 | Very low | 54.6 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -61.6 | 91.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M114 | M114-A116 PolarHBondContact O-N 2.73Š| ||
| 117 | G | 57.8 | Low | 56.8 | Low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | -76.1 | 130.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | K115 A119 | K115-G117 PolarHBondContact O-N 2.94Å; G117-A119 VanDerWaalsContact C-N 3.3Å; G117-A119 PolarHBondContact O-N 3.28Å | ||
| 118 | K | 55.5 | Low | 59.3 | Low | 218 Ų | 218 | 138 Ų | 138 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -60.5 | 94 | 172.1 | -70.2 | 179.3 | 176.9 | -179.6 | 0 | 108.5 | ||||
| 119 | A | 58.2 | Low | 61.3 | Low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | trans | -84.7 | 114.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | G117 E121 | G117-A119 VanDerWaalsContact C-N 3.3Å; G117-A119 PolarHBondContact O-N 3.28Å; A119-E121 PolarHBondContact O-N 2.87Å | ||
| 120 | D | 62 | Low | 63.7 | Low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -56 | 110.2 | 163.6 | -87.3 | -36.9 | 0 | 0 | 0 | 107.6 | K122 | D120-K122 PolarHBondContact O-N 3.31Š| ||
| 121 | E | 62.2 | Low | 65.5 | Low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | trans | -68.1 | 79.9 | 174.6 | -168.3 | 178.2 | 175.4 | 0 | 0 | 108.2 | A119 A123 | A119-E121 PolarHBondContact O-N 2.87Å; E121-A123 VanDerWaalsContact C-N 3.27Å; E121-A123 PolarHBondContact O-N 3.45Å | ||
| 122 | K | 66.2 | Low | 67.4 | Low | 184 Ų | 184 | 126 Ų | 126 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -68.2 | 94 | 164.2 | -75.3 | -175 | 179.3 | -179.8 | 0 | 106.6 | D120 G124 | D120-K122 PolarHBondContact O-N 3.31Å; K122-G124 PolarHBondContact O-N 3.34Å | ||
| 123 | A | 69.4 | Low | 67.9 | Low | 84 Ų | 84 | 118.8 Ų | 118.8 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | trans | -43.9 | 116.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E121 R125 | E121-A123 VanDerWaalsContact C-N 3.27Å; E121-A123 PolarHBondContact O-N 3.45Å; A123-R125 PolarHBondContact O-N 3.45Å | ||
| 124 | G | 66.9 | Low | 68.7 | Low | 47 Ų | 47 | 122 Ų | 122 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | trans | -56.8 | 104.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K122 | K122-G124 PolarHBondContact O-N 3.34Š| ||
| 125 | R | 78.1 | Confident | 69.1 | Low | 183 Ų | 183 | 116.7 Ų | 116.7 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | trans | -82.1 | 121.6 | 175.1 | 154.1 | -169.1 | -71.4 | -169 | -1.2 | 106.9 | A123 L294 | A123-R125 PolarHBondContact O-N 3.45Å; R125-L294 HydrophobicContact CB-CD1 3.44Å; R125-L294 VanDerWaalsContact CB-CD1 3.44Å; R125-L294 HydrophobicContact CB-CG 4.45Å; R125-L294 HydrophobicContact CG-CD1 3.77Å; R125-L294 HydrophobicContact CG-CG 4.46Å; R125-L294 VanDerWaalsContact O-CD1 3.28Å; R125-L294 WeakPolarHBondContact O-CD1 3.43Å; R125-L294 WeakPolarHBondContact O-CG 3.47Å | ||
| 126 | I | 81.3 | Confident | 69.1 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | trans | -82.7 | 130.3 | 178.1 | -63.3 | 166.4 | 0 | 0 | 0 | 108.4 | ||||
| 127 | V | 85.3 | Confident | 69.6 | Low | 27 Ų | 27 | 115.2 Ų | 115.2 | 16% | 0.164 | 59% | 0.59 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.4 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | K129 Y292 L294 | V127-K129 HydrophobicContact CG1-CG 4.07Å; V127-Y292 HydrophobicContact CB-CE1 4.47Å; V127-Y292 HydrophobicContact CB-CE2 4.03Å; V127-Y292 HydrophobicContact CG1-CE1 4.34Å; V127-Y292 HydrophobicContact CG1-CE2 4.39Å; V127-Y292 WeakPolarHBondContact CG1-OH 3.38Å; V127-Y292 PolarHBondContact O-N 2.65Å; V127-L294 HydrophobicContact CG2-CD2 3.42Å; V127-L294 VanDerWaalsContact CG2-CD2 3.42Å; V127-L294 HydrophobicContact CG2-CG 4.14Å |
| 128 | R | 87.1 | Confident | 69.8 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 59% | 0.585 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.4 | 172.5 | -176.1 | 177.3 | 178.9 | 171 | 0.5 | 108.6 | D289 T291 | R128-D289 WeakPolarHBondContact CG-OD1 3.43Å; R128-D289 IonicContact CZ-OD1 3.93Å; R128-D289 IonicContact CZ-OD2 3.38Å; R128-D289 IonicContact NE-OD1 3.04Å; R128-D289 PolarHBondContact NE-OD1 3.43Å; R128-D289 IonicContact NE-OD2 3.22Å; R128-D289 PolarHBondContact NE-OD2 2.92Å; R128-D289 IonicContact NH2-OD1 3.94Å; R128-D289 IonicContact NH2-OD2 2.7Å; R128-D289 PolarHBondContact NH2-OD2 2.98Å; R128-T291 HydrophobicContact CB-CG2 4.24Å; R128-T291 HydrophobicContact CG-CG2 4.19Å |
| 129 | K | 86.1 | Confident | 70.2 | Confident | 38 Ų | 38 | 113.2 Ų | 113.2 | 17% | 0.165 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.8 | 175.1 | -71.1 | -172.2 | 179.1 | 171.1 | 0 | 110.9 | V127 F131 D216 E218 V290 Y292 | V127-K129 HydrophobicContact CG1-CG 4.07Å; K129-F131 HydrophobicContact CB-CD2 4.24Å; K129-F131 HydrophobicContact CB-CE2 3.38Å; K129-F131 HydrophobicContact CB-CZ 3.6Å; K129-F131 HydrophobicContact CD-CE1 4.42Å; K129-F131 HydrophobicContact CD-CE2 4.17Å; K129-F131 HydrophobicContact CD-CZ 3.55Å; K129-F131 HydrophobicContact CG-CE2 4.42Å; K129-F131 HydrophobicContact CG-CZ 4.22Å; K129-D216 WeakPolarHBondContact CD-OD2 3.35Å; K129-D216 WeakPolarHBondContact CE-OD2 3.3Å; K129-D216 IonicContact NZ-OD1 3.65Å; K129-D216 PolarHBondContact NZ-OD1 3.36Å; K129-D216 IonicContact NZ-OD2 3.57Å; K129-D216 PolarHBondContact NZ-OD2 2.93Å; K129-E218 WeakPolarHBondContact CE-OE1 3.31Å; K129-E218 VanDerWaalsContact NZ-CD 3.33Å; K129-E218 IonicContact NZ-OE1 2.75Å; K129-E218 PolarHBondContact NZ-OE1 2.93Å; K129-V290 PolarHBondContact N-O 2.99Å; K129-V290 PolarHBondContact O-N 3.08Å; K129-Y292 HydrophobicContact CB-CE1 4.13Å; K129-Y292 HydrophobicContact CD-CE1 4.19Å; K129-Y292 WeakPolarHBondContact CD-OH 3.36Å; K129-Y292 WeakPolarHBondContact CE-OH 3.38Å; K129-Y292 HydrophobicContact CG-CE1 4.07Å; K129-Y292 PolarHBondContact NZ-OH 2.96Å |
| 130 | R | 86.7 | Confident | 70.3 | Confident | 219 Ų | 219 | 118.7 Ų | 118.7 | 83% | 0.826 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.6 | 175.8 | -172.7 | 178.2 | -173.5 | -171.1 | 2.8 | 109.3 | ||
| 131 | F | 82.6 | Confident | 70.2 | Confident | 25 Ų | 25 | 120.2 Ų | 120.2 | 11% | 0.11 | 59% | 0.589 | C | S | . | * | trans | -104.6 | 132.7 | 176.8 | -61.3 | -81.5 | 0 | 0 | 0 | 110.6 | K129 D216 G287 V288 F297 Y299 M308 | K129-F131 HydrophobicContact CB-CD2 4.24Å; K129-F131 HydrophobicContact CB-CE2 3.38Å; K129-F131 HydrophobicContact CB-CZ 3.6Å; K129-F131 HydrophobicContact CD-CE1 4.42Å; K129-F131 HydrophobicContact CD-CE2 4.17Å; K129-F131 HydrophobicContact CD-CZ 3.55Å; K129-F131 HydrophobicContact CG-CE2 4.42Å; K129-F131 HydrophobicContact CG-CZ 4.22Å; F131-D216 HydrophobicContact CE1-CB 4Å; F131-D216 HydrophobicContact CZ-CB 4.46Å; F131-G287 CarbonylContact O-C 3.5Å; F131-G287 WeakPolarHBondContact O-CA 3.42Å; F131-V288 PolarHBondContact N-O 3.21Å; F131-V288 PolarHBondContact O-N 3.38Å; F131-F297 HydrophobicContact CD2-CZ 4.09Å; F131-F297 HydrophobicContact CE1-CE1 4.18Å; F131-F297 HydrophobicContact CE1-CZ 4Å; F131-F297 AromaticContact CE2-CE1 3.92Å; F131-F297 HydrophobicContact CE2-CE1 3.92Å; F131-F297 AromaticContact CE2-CE2 3.64Å; F131-F297 HydrophobicContact CE2-CE2 3.64Å; F131-F297 AromaticContact CE2-CZ 3.14Å; F131-F297 HydrophobicContact CE2-CZ 3.14Å; F131-F297 AromaticContact CZ-CE1 3.38Å; F131-F297 HydrophobicContact CZ-CE1 3.38Å; F131-F297 HydrophobicContact CZ-CE2 4.02Å; F131-F297 AromaticContact CZ-CZ 3.09Å; F131-F297 HydrophobicContact CZ-CZ 3.09Å; F131-Y299 AromaticContact CD1-CD1 3.75Å; F131-Y299 HydrophobicContact CD1-CD1 3.75Å; F131-Y299 HydrophobicContact CD1-CE1 4.06Å; F131-Y299 HydrophobicContact CE1-CD1 4.06Å; F131-Y299 HydrophobicContact CG-CD1 4.41Å; F131-M308 HydrophobicContact CD2-SD 4.25Å | ||
| 132 | G | 74.6 | Confident | 70 | Confident | 68 Ų | 68 | 116.7 Ų | 116.7 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | trans | -138.3 | 94 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K134 | G132-K134 PolarHBondContact O-N 2.96Š| ||
| 133 | A | 63.2 | Low | 69.6 | Low | 21 Ų | 21 | 119.4 Ų | 119.4 | 17% | 0.174 | 59% | 0.59 | C | S | . | * | trans | -83.3 | 94.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | I135 S285 F301 | A133-I135 PolarHBondContact O-N 3Å; A133-S285 PolarHBondContact O-OG 3.45Å; A133-F301 HydrophobicContact CB-CZ 4.33Å | ||
| 134 | K | 63.2 | Low | 69 | Low | 197 Ų | 197 | 121.2 Ų | 121.2 | 86% | 0.857 | 60% | 0.597 | S | S | * | * | trans | -78.7 | 98.1 | 164.3 | -72.1 | -175.5 | -179.6 | -179.7 | 0 | 107.5 | G132 R136 | G132-K134 PolarHBondContact O-N 2.96Å; K134-R136 PolarHBondContact O-N 3.45Å; K134-R136 VanDerWaalsContact O-N 3.13Å | ||
| 135 | I | 60 | Low | 68.7 | Low | 66 Ų | 66 | 123.6 Ų | 123.6 | 34% | 0.338 | 61% | 0.612 | S | S | . | * | trans | -68.2 | 109.6 | 164.8 | -58.6 | -175.5 | 0 | 0 | 0 | 106.1 | A133 D137 R284 | A133-I135 PolarHBondContact O-N 3Å; I135-D137 PolarHBondContact O-N 3.44Å; I135-R284 WeakPolarHBondContact CD1-O 3.4Å | ||
| 136 | R | 56.3 | Low | 67.8 | Low | 202 Ų | 202 | 121.9 Ų | 121.9 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | trans | -74.5 | 110.6 | 166.2 | -74.4 | -175 | 175 | 177.7 | 0.4 | 106.4 | K134 D138 | K134-R136 PolarHBondContact O-N 3.45Å; K134-R136 VanDerWaalsContact O-N 3.13Å; R136-D138 PolarHBondContact O-N 3.22Å; R136-D138 VanDerWaalsContact O-N 3.08Å | ||
| 137 | D | 58.9 | Low | 66.8 | Low | 84 Ų | 84 | 120.3 Ų | 120.3 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | trans | -72 | 98.2 | 168.6 | -63.5 | -54.4 | 0 | 0 | 0 | 108.2 | M1 I135 T139 | M1-D137 HydrophobicContact CE-CB 4.12Å; M1-D137 WeakPolarHBondContact CE-OD2 3.35Å; M1-D137 VanDerWaalsContact SD-OD2 3.39Å; I135-D137 PolarHBondContact O-N 3.44Å; D137-T139 PolarHBondContact O-N 3.01Å | ||
| 138 | D | 63.3 | Low | 65.4 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -66.1 | 8.6 | 176.4 | -66.8 | -34.1 | 0 | 0 | 0 | 113 | R136 K140 | R136-D138 PolarHBondContact O-N 3.22Å; R136-D138 VanDerWaalsContact O-N 3.08Å; D138-K140 PolarHBondContact O-N 2.93Å |
| 139 | T | 62 | Low | 64.3 | Low | 126 Ų | 126 | 123.4 Ų | 123.4 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -77.7 | 4.1 | -175 | -35.2 | 0 | 0 | 0 | 0 | 114.4 | D137 | D137-T139 PolarHBondContact O-N 3.01Š|
| 140 | K | 61.2 | Low | 62.8 | Low | 204 Ų | 204 | 131.6 Ų | 131.6 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -110.1 | 5.4 | -175.9 | -89.8 | -173.2 | 177.4 | -178.4 | 0 | 117.3 | D138 | D138-K140 PolarHBondContact O-N 2.93Š|
| 141 | Q | 58.8 | Low | 61.5 | Low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -102.3 | 16.7 | -170.2 | -131.1 | 172.8 | 13.6 | 0 | 0 | 117.8 | ||
| 142 | S | 58.4 | Low | 60.3 | Low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -122.2 | 34.7 | 179.7 | 72 | 0 | 0 | 0 | 0 | 115.5 | ||
| 143 | R | 58.9 | Low | 59.3 | Low | 242 Ų | 242 | 147.1 Ų | 147.1 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | trans | -135.8 | 67.1 | 174.8 | -72.4 | -170.9 | 172.3 | -179.1 | -1.3 | 113.1 | ||||
| 144 | S | 57.2 | Low | 58.8 | Low | 121 Ų | 121 | 156.2 Ų | 156.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -159.7 | 66 | 161.4 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 145 | A | 59.5 | Low | 58.4 | Low | 97 Ų | 97 | 152.1 Ų | 152.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -161 | 65.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 146 | V | 59.7 | Low | 58.1 | Low | 148 Ų | 148 | 158.5 Ų | 158.5 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -115.3 | 102 | 163.4 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 147 | G | 60.2 | Low | 58 | Low | 71 Ų | 71 | 160.2 Ų | 160.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -68.1 | 138.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G149 | G147-G149 VanDerWaalsContact C-N 3.34Å; G147-G149 PolarHBondContact O-N 3Å | ||
| 148 | D | 55.7 | Low | 57.5 | Low | 175 Ų | 175 | 161.8 Ų | 161.8 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -63.8 | 89.3 | 167.8 | -88.1 | -56.7 | 0 | 0 | 0 | 110.6 | ||||
| 149 | G | 64.3 | Low | 57 | Low | 73 Ų | 73 | 160 Ų | 160 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -102.2 | 87.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G147 R151 | G147-G149 VanDerWaalsContact C-N 3.34Å; G147-G149 PolarHBondContact O-N 3Å; G149-R151 PolarHBondContact O-N 3.04Å | ||
| 150 | K | 54.8 | Low | 56.6 | Low | 209 Ų | 209 | 158.8 Ų | 158.8 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -52.7 | 114.4 | 166.2 | -73.5 | 171.4 | 175.4 | 170.3 | 0 | 111 | ||||
| 151 | R | 59.7 | Low | 56.2 | Low | 247 Ų | 247 | 160.1 Ų | 160.1 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -160.1 | 107.1 | 148.4 | -125.2 | 171.9 | 176.8 | -171.4 | -2 | 116.4 | G149 | G149-R151 PolarHBondContact O-N 3.04Š| ||
| 152 | K | 57 | Low | 56.2 | Low | 182 Ų | 182 | 156.7 Ų | 156.7 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 2.9 | 131.1 | 143.2 | -78.8 | 174.6 | 174 | 171.6 | 0 | 119.7 | ||||
| 153 | R | 53.1 | Low | 56 | Low | 210 Ų | 210 | 159.7 Ų | 159.7 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | 77.4 | 124 | 125.4 | -77.8 | -176.1 | 164.7 | 178.7 | -3.9 | 120 | |||||
| 154 | R | 52.7 | Low | 56.3 | Low | 211 Ų | 211 | 154.1 Ų | 154.1 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | 104.8 | 117 | 120.9 | -108.5 | -172.7 | 163.7 | 167.6 | -6.2 | 118.9 | |||||
| 155 | T | 55.2 | Low | 55.9 | Low | 112 Ų | 112 | 157 Ų | 157 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | trans | 77.3 | 111.8 | 131 | 42.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 156 | K | 53.5 | Low | 55.8 | Low | 200 Ų | 200 | 158.8 Ų | 158.8 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | 37.1 | 118.6 | 119.7 | -82.8 | -177 | 170 | 177.6 | 0 | 118.6 | |||||
| 157 | R | 53.8 | Low | 55.5 | Low | 238 Ų | 238 | 157 Ų | 157 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 172.1 | 105.8 | 131.9 | -97.3 | 168.1 | 165.5 | -167.9 | -4.5 | 107.7 | ||||
| 158 | S | 49.2 | Very low | 55.5 | Low | 116 Ų | 116 | 159 Ų | 159 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | 52.2 | 118.8 | 88.9 | 70.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 159 | G | 51.5 | Low | 55.4 | Low | 78 Ų | 78 | 159 Ų | 159 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 139.3 | 125.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 160 | A | 53.8 | Low | 55.3 | Low | 100 Ų | 100 | 164.8 Ų | 164.8 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | 66.6 | 110.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 161 | R | 54.2 | Low | 55.1 | Low | 233 Ų | 233 | 164 Ų | 164 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | 56.6 | 99.5 | 55.5 | -154.9 | -176.4 | -166 | -166.6 | 5.3 | 113 | |||||
| 162 | S | 58.8 | Low | 55 | Low | 116 Ų | 116 | 155.9 Ų | 155.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -151.5 | 127.2 | 144.7 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 163 | K | 53.6 | Low | 54.8 | Low | 174 Ų | 174 | 157 Ų | 157 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | trans | -86.8 | 137 | 170 | -82.3 | 175.4 | 169.1 | -177.9 | 0 | 107.4 | ||||
| 164 | V | 64.3 | Low | 54.8 | Low | 126 Ų | 126 | 159.1 Ų | 159.1 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -129.7 | 110.4 | 158.7 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 165 | Q | 50.3 | Low | 54.6 | Low | 180 Ų | 180 | 157.9 Ų | 157.9 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -90.8 | 134.4 | 159.2 | -75.9 | 174.7 | -58.6 | 0 | 0 | 107.1 | ||||
| 166 | T | 57.5 | Low | 54.5 | Low | 136 Ų | 136 | 164.2 Ų | 164.2 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | -140.3 | 119.6 | 154.7 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 167 | S | 52.3 | Low | 54.2 | Low | 111 Ų | 111 | 163.7 Ų | 163.7 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -103.6 | 136.6 | 170.4 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 168 | S | 61.4 | Low | 53.7 | Low | 113 Ų | 113 | 162.8 Ų | 162.8 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | 168.3 | 110.3 | 152.6 | 32.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 169 | E | 53.5 | Low | 53.3 | Low | 173 Ų | 173 | 162.7 Ų | 162.7 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | 66 | 94.3 | 73.2 | -161.2 | 174.6 | -173.3 | 0 | 0 | 111.9 | |||||
| 170 | E | 60.7 | Low | 52.3 | Low | 195 Ų | 195 | 164.9 Ų | 164.9 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -153.6 | 126.1 | 146.3 | -133.7 | -179.3 | 154.4 | 0 | 0 | 112.7 | ||||
| 171 | K | 50.1 | Low | 51.3 | Low | 192 Ų | 192 | 165.7 Ų | 165.7 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -80.4 | 133.9 | 176.9 | -75 | 164.6 | 173.5 | 157.9 | 0 | 109.5 | ||||
| 172 | G | 58.3 | Low | 50.4 | Low | 77 Ų | 77 | 163.5 Ų | 163.5 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -145.3 | 89.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 173 | K | 52.1 | Low | 49.4 | Very low | 207 Ų | 207 | 163.5 Ų | 163.5 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -64.3 | 132.1 | 168.6 | -69.5 | 171.8 | 176.2 | 175.8 | 0 | 109.8 | ||||
| 174 | R | 53.3 | Low | 48.5 | Very low | 253 Ų | 253 | 162.2 Ų | 162.2 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | trans | -155.2 | 116.4 | 147.1 | -111.7 | 169.4 | -176.8 | -151 | 0.2 | 112.1 | ||||
| 175 | Q | 50.4 | Low | 47.1 | Very low | 185 Ų | 185 | 163.6 Ų | 163.6 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 147.9 | 171.6 | -65.4 | 170.7 | -25.8 | 0 | 0 | 111 | ||||
| 176 | R | 52.5 | Low | 46.8 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | trans | 167.8 | 97 | 139 | -92.7 | 164.5 | 177.6 | -147.7 | -2.1 | 107.7 | ||||
| 177 | K | 47.2 | Very low | 45.9 | Very low | 188 Ų | 188 | 158.7 Ų | 158.7 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | 56.4 | 113.4 | 83.9 | -109.7 | -179 | -174.7 | 176.6 | 0 | 115.5 | |||||
| 178 | R | 43.7 | Very low | 45.7 | Very low | 220 Ų | 220 | 158 Ų | 158 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | 89.3 | 161 | 149.8 | -55.8 | -173.8 | 169.4 | -169.4 | -2.4 | 118.1 | ||||
| 179 | P | 39.1 | Very low | 45.1 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -130.5 | 176.1 | -67.2 | 36.3 | -18.1 | 0 | 0 | 0 | 111.9 | |||||
| 180 | C | 31.1 | Very low | 45 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 128.6 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 181 | T | 32.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -177.6 | 109.5 | 147.9 | 26.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 182 | M | 36.3 | Very low | 44.8 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -144.1 | 80.1 | 159.6 | -68.3 | -78.6 | -73.1 | 0 | 0 | 104 | ||||
| 183 | V | 37.8 | Very low | 44.6 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | 41.7 | 89.1 | 86.8 | -154.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 184 | N | 32.8 | Very low | 44.8 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | 12.5 | 115.3 | 139.9 | -58.1 | -22.1 | 0 | 0 | 0 | 117.8 | ||||
| 185 | D | 36.3 | Very low | 44.7 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -154 | 81.2 | 137.3 | -112.8 | -36.2 | 0 | 0 | 0 | 109.4 | G187 | D185-G187 PolarHBondContact O-N 2.8Š| ||
| 186 | V | 43.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 89% | 0.891 | 69% | 0.689 | S | S | * | * | trans | -96.8 | 50.4 | 166.4 | -165.5 | 0 | 0 | 0 | 0 | 107.9 | S188 | V186-S188 VanDerWaalsContact C-N 3.29Š| ||
| 187 | G | 38.9 | Very low | 44.6 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | trans | -95.2 | 37.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D185 S189 | D185-G187 PolarHBondContact O-N 2.8Å; G187-S189 PolarHBondContact O-N 3.26Å; G187-S189 VanDerWaalsContact O-N 3.17Å | ||
| 188 | S | 49.1 | Very low | 44.6 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | trans | -81.6 | 96.9 | 174.3 | -71.2 | 0 | 0 | 0 | 0 | 108.6 | V186 L190 | V186-S188 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3.47Å | ||
| 189 | S | 47.3 | Very low | 44.8 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | trans | -36 | 114.3 | 160 | -175 | 0 | 0 | 0 | 0 | 108.4 | G187 K191 | G187-S189 PolarHBondContact O-N 3.26Å; G187-S189 VanDerWaalsContact O-N 3.17Å; S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.28Å | ||
| 190 | L | 50.9 | Low | 45.4 | Very low | 69 Ų | 69 | 111.8 Ų | 111.8 | 36% | 0.361 | 66% | 0.658 | S | S | . | * | trans | -60.9 | 101.7 | 172.1 | -95.5 | 83.5 | 0 | 0 | 0 | 106.3 | S188 H192 V228 | S188-L190 PolarHBondContact O-N 3.47Å; L190-H192 VanDerWaalsContact CB-CD2 3.49Å; L190-H192 WeakPolarHBondContact CB-CD2 3.29Å; L190-H192 WeakPolarHBondContact CB-NE2 3.32Å; L190-H192 WeakPolarHBondContact CD2-CE1 3.34Å; L190-H192 VanDerWaalsContact CD2-NE2 3.28Å; L190-H192 WeakPolarHBondContact CD2-NE2 3.45Å; L190-H192 PolarHBondContact O-CD2 3.35Å; L190-H192 VanDerWaalsContact O-CD2 3.31Å; L190-H192 PolarHBondContact O-N 2.87Å; L190-V228 HydrophobicContact CD2-CG1 4.23Å | ||
| 191 | K | 52.1 | Low | 46.5 | Very low | 187 Ų | 187 | 110.7 Ų | 110.7 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -71.4 | 87.3 | 164.7 | -67.6 | -172.4 | 179.5 | -172.9 | 0 | 105.5 | S189 T193 | S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.28Å; K191-T193 PolarHBondContact O-N 3.22Å | ||
| 192 | H | 55.9 | Low | 47.7 | Very low | 60 Ų | 60 | 112 Ų | 112 | 28% | 0.278 | 65% | 0.649 | S | S | . | * | trans | -72.7 | 107.2 | 173.7 | -69.5 | -79.1 | 0 | 0 | 0 | 108 | L190 V194 L214 | L190-H192 VanDerWaalsContact CB-CD2 3.49Å; L190-H192 WeakPolarHBondContact CB-CD2 3.29Å; L190-H192 WeakPolarHBondContact CB-NE2 3.32Å; L190-H192 WeakPolarHBondContact CD2-CE1 3.34Å; L190-H192 VanDerWaalsContact CD2-NE2 3.28Å; L190-H192 WeakPolarHBondContact CD2-NE2 3.45Å; L190-H192 PolarHBondContact O-CD2 3.35Å; L190-H192 VanDerWaalsContact O-CD2 3.31Å; L190-H192 PolarHBondContact O-N 2.87Å; H192-V194 VanDerWaalsContact C-N 3.31Å; H192-V194 HydrophobicContact CB-CG2 4.19Å; H192-V194 PolarHBondContact O-N 3.34Å; H192-V194 VanDerWaalsContact O-N 3.11Å; H192-L214 HydrophobicContact CB-CD1 4.35Å; H192-L214 WeakPolarHBondContact ND1-CD1 3.32Å | ||
| 193 | T | 54 | Low | 48.7 | Very low | 68 Ų | 68 | 107 Ų | 107 | 42% | 0.417 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 92.3 | 162.2 | -55.9 | 0 | 0 | 0 | 0 | 106.5 | K191 M195 | K191-T193 PolarHBondContact O-N 3.22Å; T193-M195 HydrophobicContact CG2-CG 4.28Å; T193-M195 HydrophobicContact CG2-SD 3.85Å; T193-M195 PolarHBondContact O-N 3.23Å |
| 194 | V | 55.1 | Low | 49.9 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 106.4 | 172.6 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | H192 A196 | H192-V194 VanDerWaalsContact C-N 3.31Å; H192-V194 HydrophobicContact CB-CG2 4.19Å; H192-V194 PolarHBondContact O-N 3.34Å; H192-V194 VanDerWaalsContact O-N 3.11Å; V194-A196 PolarHBondContact O-N 3.07Å |
| 195 | M | 52.7 | Low | 51.3 | Low | 53 Ų | 53 | 104 Ų | 104 | 26% | 0.261 | 61% | 0.614 | S | S | . | * | trans | -83.5 | 108.7 | 174.2 | -63.6 | -67.3 | -84.5 | 0 | 0 | 107.7 | T193 | T193-M195 HydrophobicContact CG2-CG 4.28Å; T193-M195 HydrophobicContact CG2-SD 3.85Å; T193-M195 PolarHBondContact O-N 3.23Å | ||
| 196 | A | 49.6 | Very low | 52.9 | Low | 85 Ų | 85 | 101.6 Ų | 101.6 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | trans | -60 | 143.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V194 G198 | V194-A196 PolarHBondContact O-N 3.07Å; A196-G198 PolarHBondContact O-N 3.06Å | ||
| 197 | H | 50.1 | Low | 54.2 | Low | 156 Ų | 156 | 97.3 Ų | 97.3 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -56.5 | 91.2 | 179.9 | -73 | -92.9 | 0 | 0 | 0 | 111.6 | D216 | H197-D216 IonicContact CE1-OD2 2.74Š|
| 198 | G | 47.7 | Very low | 56.1 | Low | 60 Ų | 60 | 102.1 Ų | 102.1 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 167.9 | 102.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | A196 | A196-G198 PolarHBondContact O-N 3.06Š|
| 199 | E | 48.6 | Very low | 57.6 | Low | 183 Ų | 183 | 102.5 Ų | 102.5 | 86% | 0.855 | 59% | 0.593 | S | S | * | * | trans | 66.9 | 70.1 | 167 | -52.6 | -164.9 | 124.5 | 0 | 0 | 117.2 | S201 | E199-S201 PolarHBondContact O-N 3.4Š| ||
| 200 | V | 52.1 | Low | 59.4 | Low | 75 Ų | 75 | 99.6 Ų | 99.6 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -76.3 | 77.5 | 162.5 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 201 | S | 54.2 | Low | 61.3 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | -101.2 | 4.3 | 164.8 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | E199 S203 | E199-S201 PolarHBondContact O-N 3.4Å; S201-S203 PolarHBondContact O-N 3.45Å | ||
| 202 | Q | 56.2 | Low | 63.3 | Low | 146 Ų | 146 | 91.1 Ų | 91.1 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -68.8 | 123.6 | 172 | -95.8 | 179.3 | -3.9 | 0 | 0 | 110.3 | R204 | Q202-R204 PolarHBondContact O-N 3.32Š|
| 203 | S | 57.7 | Low | 65.2 | Low | 79 Ų | 79 | 89.1 Ų | 89.1 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | trans | -53.9 | 106.2 | 174.8 | 36.9 | 0 | 0 | 0 | 0 | 110.2 | S201 S205 | S201-S203 PolarHBondContact O-N 3.45Å; S203-S205 PolarHBondContact O-N 3.22Å | ||
| 204 | R | 63.1 | Low | 67.2 | Low | 90 Ų | 90 | 86.2 Ų | 86.2 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -60.8 | -5.6 | 177.8 | -72.7 | -177.9 | 172.8 | -166.6 | -0.3 | 114.1 | Q202 S206 L207 F301 | Q202-R204 PolarHBondContact O-N 3.32Å; R204-S206 PolarHBondContact O-N 3.37Å; R204-S206 VanDerWaalsContact O-N 3.09Å; R204-L207 PolarHBondContact O-N 3.17Å; R204-F301 VanDerWaalsContact NH1-CE1 3.31Å; R204-F301 VanDerWaalsContact NH2-CE2 3.3Å |
| 205 | S | 63 | Low | 69 | Low | 111 Ų | 111 | 83.5 Ų | 83.5 | 78% | 0.776 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -67.4 | -6.8 | -172.9 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | S203 | S203-S205 PolarHBondContact O-N 3.22Š|
| 206 | S | 68.9 | Low | 71 | Confident | 105 Ų | 105 | 81.8 Ų | 81.8 | 73% | 0.734 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -113.1 | 8.9 | -178.1 | -155.8 | 0 | 0 | 0 | 0 | 115.2 | R204 K208 | R204-S206 PolarHBondContact O-N 3.37Å; R204-S206 VanDerWaalsContact O-N 3.09Å; S206-K208 PolarHBondContact O-N 3.35Å |
| 207 | L | 70.2 | Confident | 73.3 | Confident | 57 Ų | 57 | 82 Ų | 82 | 30% | 0.298 | 47% | 0.472 | S | S | . | . | trans | -64.2 | 127.8 | 178 | -68 | 171.7 | 0 | 0 | 0 | 110.3 | R204 E211 V213 | R204-L207 PolarHBondContact O-N 3.17Å; L207-E211 HydrophobicContact CD2-CG 4.39Å; L207-V213 HydrophobicContact CD1-CG2 3.65Å; L207-V213 HydrophobicContact CD2-CG2 3.59Å; L207-V213 HydrophobicContact CG-CG2 4.28Å | ||
| 208 | K | 80.2 | Confident | 75.4 | Confident | 167 Ų | 167 | 76.8 Ų | 76.8 | 73% | 0.726 | 45% | 0.448 | S | S | * | . | trans | -65.9 | 142 | 178.3 | -69.6 | -179.4 | -179.3 | 176.6 | 0 | 108.9 | S206 G210 E211 | S206-K208 PolarHBondContact O-N 3.35Å; K208-G210 PolarHBondContact O-N 3.35Å; K208-E211 PolarHBondContact N-OE2 3.16Å; K208-E211 VanDerWaalsContact O-CB 3.3Å; K208-E211 WeakPolarHBondContact O-CB 3.42Å; K208-E211 PolarHBondContact O-N 3.4Å | ||
| 209 | A | 79.7 | Confident | 77.6 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 87% | 0.868 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 115.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 210 | G | 85.2 | Confident | 79.9 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | -0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K208 | K208-G210 PolarHBondContact O-N 3.35Š|
| 211 | E | 91.5 | Very high | 81.9 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | trans | -70.2 | 136 | 170.1 | -170.1 | 168.5 | -169.8 | 0 | 0 | 110.9 | L207 K208 G303 | L207-E211 HydrophobicContact CD2-CG 4.39Å; K208-E211 PolarHBondContact N-OE2 3.16Å; K208-E211 VanDerWaalsContact O-CB 3.3Å; K208-E211 WeakPolarHBondContact O-CB 3.42Å; K208-E211 PolarHBondContact O-N 3.4Å; E211-G303 PolarHBondContact O-N 2.9Å | ||
| 212 | V | 94.6 | Very high | 83.9 | Confident | 12 Ų | 12 | 76.8 Ų | 76.8 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.6 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | L214 V228 F300 F301 L302 | V212-L214 HydrophobicContact CG1-CD2 4Å; V212-V228 HydrophobicContact CB-CG1 4.49Å; V212-V228 HydrophobicContact CG1-CG1 4.28Å; V212-V228 HydrophobicContact CG1-CG2 4.3Å; V212-V228 HydrophobicContact CG2-CG1 3.55Å; V212-F300 HydrophobicContact CG1-CB 4.4Å; V212-F300 HydrophobicContact CG1-CD2 4.1Å; V212-F301 CarbonylContact C-O 3.57Å; V212-F301 WeakPolarHBondContact CA-O 3.14Å; V212-L302 HydrophobicContact CB-CD1 4.24Å; V212-L302 HydrophobicContact CG2-CD1 3.31Å |
| 213 | V | 95 | Very high | 85.8 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 108.6 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L207 M215 F300 F301 | L207-V213 HydrophobicContact CD1-CG2 3.65Å; L207-V213 HydrophobicContact CD2-CG2 3.59Å; L207-V213 HydrophobicContact CG-CG2 4.28Å; V213-M215 HydrophobicContact CG1-CE 4.39Å; V213-F300 CarbonylContact O-C 3.59Å; V213-F300 WeakPolarHBondContact O-CA 3.03Å; V213-F301 HydrophobicContact CB-CB 4.31Å; V213-F301 PolarHBondContact N-O 3.04Å; V213-F301 PolarHBondContact O-N 3.35Å |
| 214 | L | 95.3 | Very high | 87.7 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.9 | 174.5 | -63.3 | -177.3 | 0 | 0 | 0 | 109 | H192 V212 Y217 L224 F300 | H192-L214 HydrophobicContact CB-CD1 4.35Å; H192-L214 WeakPolarHBondContact ND1-CD1 3.32Å; V212-L214 HydrophobicContact CG1-CD2 4Å; L214-Y217 HydrophobicContact CD1-CD1 4.16Å; L214-Y217 HydrophobicContact CD1-CE1 3.89Å; L214-L224 HydrophobicContact CD1-CD2 3.91Å; L214-L224 HydrophobicContact CD2-CD1 4.37Å; L214-L224 HydrophobicContact CD2-CD2 4.06Å; L214-F300 HydrophobicContact CD2-CB 3.67Å; L214-F300 HydrophobicContact CD2-CG 4.37Å |
| 215 | M | 93.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -50.5 | 176.2 | -71.1 | -62.8 | -164.6 | 0 | 0 | 111.5 | V213 Y299 F301 | V213-M215 HydrophobicContact CG1-CE 4.39Å; M215-Y299 HydrophobicContact CB-CD1 3.52Å; M215-Y299 HydrophobicContact CB-CE1 3.92Å; M215-Y299 HydrophobicContact CB-CG 4.19Å; M215-Y299 WeakPolarHBondContact CB-O 3.46Å; M215-Y299 HydrophobicContact CG-CD1 4.14Å; M215-Y299 HydrophobicContact CG-CE1 4.07Å; M215-Y299 PolarHBondContact N-O 3.32Å; M215-F301 HydrophobicContact CE-CD2 3.65Å; M215-F301 HydrophobicContact CE-CE2 3.68Å; M215-F301 HydrophobicContact CG-CD2 3.67Å; M215-F301 HydrophobicContact CG-CE2 3.83Å |
| 216 | D | 95 | Very high | 90.9 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 141.3 | -178.6 | -167.7 | -7.5 | 0 | 0 | 0 | 108.2 | K129 F131 H197 F297 Y299 | K129-D216 WeakPolarHBondContact CD-OD2 3.35Å; K129-D216 WeakPolarHBondContact CE-OD2 3.3Å; K129-D216 IonicContact NZ-OD1 3.65Å; K129-D216 PolarHBondContact NZ-OD1 3.36Å; K129-D216 IonicContact NZ-OD2 3.57Å; K129-D216 PolarHBondContact NZ-OD2 2.93Å; F131-D216 HydrophobicContact CE1-CB 4Å; F131-D216 HydrophobicContact CZ-CB 4.46Å; H197-D216 IonicContact CE1-OD2 2.74Å; D216-F297 HydrophobicContact CB-CE1 4.2Å; D216-Y299 PolarHBondContact N-O 3.41Å; D216-Y299 VanDerWaalsContact N-O 3.1Å; D216-Y299 CarbonylContact O-C 3.55Å; D216-Y299 WeakPolarHBondContact O-CA 3.26Å; D216-Y299 PolarHBondContact O-N 2.69Å |
| 217 | Y | 96.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 140.2 | 174.3 | 66.3 | -80.9 | 0 | 0 | 0 | 110.4 | L214 L224 F297 | L214-Y217 HydrophobicContact CD1-CD1 4.16Å; L214-Y217 HydrophobicContact CD1-CE1 3.89Å; Y217-L224 HydrophobicContact CD1-CD2 4.08Å; Y217-L224 HydrophobicContact CD2-CD2 3.72Å; Y217-L224 HydrophobicContact CE1-CD2 4.36Å; Y217-L224 HydrophobicContact CE2-CD2 4.01Å; Y217-L224 HydrophobicContact CG-CD2 3.75Å; Y217-F297 CarbonylContact C-O 3.6Å; Y217-F297 WeakPolarHBondContact CA-O 3.25Å |
| 218 | E | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 77.3 | 172.2 | -65.4 | 178.1 | -178.3 | 0 | 0 | 105.2 | K129 Y292 D295 S296 F297 | K129-E218 WeakPolarHBondContact CE-OE1 3.31Å; K129-E218 VanDerWaalsContact NZ-CD 3.33Å; K129-E218 IonicContact NZ-OE1 2.75Å; K129-E218 PolarHBondContact NZ-OE1 2.93Å; E218-Y292 PolarHBondContact OE1-OH 2.75Å; E218-Y292 WeakPolarHBondContact OE2-CE2 3.26Å; E218-Y292 PolarHBondContact OE2-OH 3.33Å; E218-D295 CarbonylContact O-C 2.81Å; E218-D295 WeakPolarHBondContact O-CA 3.47Å; E218-S296 PolarHBondContact O-N 3.42Å; E218-F297 CarbonylContact C-O 3.56Å; E218-F297 HydrophobicContact CB-CB 4.35Å; E218-F297 PolarHBondContact N-O 3.28Å; E218-F297 PolarHBondContact O-N 3.35Å |
| 219 | M | 94.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.069 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -159.8 | 165.7 | 172.6 | 63.1 | 172.7 | 55.5 | 0 | 0 | 109.5 | M223 L224 I227 D295 A298 | M219-M223 HydrophobicContact SD-CB 4.43Å; M219-M223 HydrophobicContact SD-CG 4.24Å; M219-L224 HydrophobicContact CG-CB 4.11Å; M219-L224 HydrophobicContact SD-CB 3.94Å; M219-L224 HydrophobicContact SD-CD1 4.1Å; M219-I227 HydrophobicContact CE-CD1 3.83Å; M219-I227 HydrophobicContact SD-CD1 3.6Å; M219-I227 VanDerWaalsContact SD-CD1 3.6Å; M219-D295 WeakPolarHBondContact CA-O 3.47Å; M219-D295 WeakPolarHBondContact CB-O 3.42Å; M219-A298 HydrophobicContact CE-CB 3.37Å; M219-A298 HydrophobicContact CG-CB 4.43Å; M219-A298 HydrophobicContact SD-CB 3.81Å |
| 220 | N | 95.3 | Very high | 95.1 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | trans | -62.5 | 136.7 | 179 | -160.2 | -24.2 | 0 | 0 | 0 | 111.3 | K222 M223 L224 | N220-K222 PolarHBondContact O-N 3.18Å; N220-K222 VanDerWaalsContact O-N 3.15Å; N220-M223 HydrophobicContact CB-CB 4.41Å; N220-M223 WeakPolarHBondContact O-CA 3.24Å; N220-M223 WeakPolarHBondContact O-CB 3.04Å; N220-M223 PolarHBondContact O-N 3.43Å; N220-L224 PolarHBondContact O-N 3.29Å | ||
| 221 | E | 95.7 | Very high | 95.6 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55.5 | -37.4 | -177.6 | -173.5 | -177.1 | 179 | 0 | 0 | 111.9 | M223 L224 A225 | E221-M223 VanDerWaalsContact C-N 3.33Å; E221-M223 PolarHBondContact O-N 3.03Å; E221-L224 PolarHBondContact O-N 3.36Å; E221-A225 VanDerWaalsContact O-CB 3.31Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 2.89Å |
| 222 | K | 96.2 | Very high | 95.8 | Very high | 162 Ų | 162 | 49.3 Ų | 49.3 | 70% | 0.704 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.9 | -41.8 | 175.2 | -66 | -177.8 | -179.1 | 177.8 | 0 | 112 | N220 M226 | N220-K222 PolarHBondContact O-N 3.18Å; N220-K222 VanDerWaalsContact O-N 3.15Å; K222-M226 VanDerWaalsContact O-CG 3.31Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.02Å |
| 223 | M | 95.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -45.2 | 178.3 | -170.8 | 168.3 | -168.8 | 0 | 0 | 111 | M219 N220 E221 A225 M226 I227 L270 F273 D274 W278 | M219-M223 HydrophobicContact SD-CB 4.43Å; M219-M223 HydrophobicContact SD-CG 4.24Å; N220-M223 HydrophobicContact CB-CB 4.41Å; N220-M223 WeakPolarHBondContact O-CA 3.24Å; N220-M223 WeakPolarHBondContact O-CB 3.04Å; N220-M223 PolarHBondContact O-N 3.43Å; E221-M223 VanDerWaalsContact C-N 3.33Å; E221-M223 PolarHBondContact O-N 3.03Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.89Å; M223-M226 HydrophobicContact CB-CE 4.48Å; M223-M226 WeakPolarHBondContact O-CB 3.41Å; M223-M226 PolarHBondContact O-N 2.87Å; M223-I227 HydrophobicContact CG-CD1 4.12Å; M223-I227 WeakPolarHBondContact O-CG1 3.33Å; M223-I227 PolarHBondContact O-N 3.43Å; M223-L270 HydrophobicContact CE-CD2 3.9Å; M223-F273 HydrophobicContact CE-CD1 4.21Å; M223-D274 HydrophobicContact CE-CB 4.32Å; M223-W278 HydrophobicContact CE-CH2 3.38Å; M223-W278 HydrophobicContact CE-CZ2 3.29Å; M223-W278 HydrophobicContact CE-CZ3 4.33Å; M223-W278 HydrophobicContact SD-CH2 4.29Å |
| 224 | L | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 175 | -176.9 | 63.7 | 0 | 0 | 0 | 111.5 | L214 Y217 M219 N220 E221 M226 I227 V228 A298 F300 | L214-L224 HydrophobicContact CD1-CD2 3.91Å; L214-L224 HydrophobicContact CD2-CD1 4.37Å; L214-L224 HydrophobicContact CD2-CD2 4.06Å; Y217-L224 HydrophobicContact CD1-CD2 4.08Å; Y217-L224 HydrophobicContact CD2-CD2 3.72Å; Y217-L224 HydrophobicContact CE1-CD2 4.36Å; Y217-L224 HydrophobicContact CE2-CD2 4.01Å; Y217-L224 HydrophobicContact CG-CD2 3.75Å; M219-L224 HydrophobicContact CG-CB 4.11Å; M219-L224 HydrophobicContact SD-CB 3.94Å; M219-L224 HydrophobicContact SD-CD1 4.1Å; N220-L224 PolarHBondContact O-N 3.29Å; E221-L224 PolarHBondContact O-N 3.36Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 2.84Å; L224-I227 PolarHBondContact O-N 3.38Å; L224-V228 HydrophobicContact CD1-CG2 4.31Å; L224-V228 HydrophobicContact CG-CG2 4.48Å; L224-V228 WeakPolarHBondContact O-CB 3.31Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.27Å; L224-V228 PolarHBondContact O-N 3.31Å; L224-A298 HydrophobicContact CD1-CB 3.88Å; L224-F300 HydrophobicContact CD1-CD1 4.48Å |
| 225 | A | 96.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 53 Ų | 53 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E221 M223 R229 | E221-A225 VanDerWaalsContact O-CB 3.31Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 2.89Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.89Å; A225-R229 VanDerWaalsContact O-CB 3.27Å; A225-R229 WeakPolarHBondContact O-CB 3.37Å; A225-R229 PolarHBondContact O-N 2.95Å |
| 226 | M | 96.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.6 | -75.2 | -172.1 | -59.6 | 0 | 0 | 112.2 | K222 M223 L224 R229 K230 F273 | K222-M226 VanDerWaalsContact O-CG 3.31Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.02Å; M223-M226 HydrophobicContact CB-CE 4.48Å; M223-M226 WeakPolarHBondContact O-CB 3.41Å; M223-M226 PolarHBondContact O-N 2.87Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 2.84Å; M226-R229 PolarHBondContact O-N 3.09Å; M226-K230 WeakPolarHBondContact O-CB 3.31Å; M226-K230 PolarHBondContact O-N 2.9Å; M226-F273 HydrophobicContact CE-CE1 3.8Å; M226-F273 HydrophobicContact CE-CE2 3.74Å; M226-F273 HydrophobicContact CE-CZ 3.33Å; M226-F273 HydrophobicContact SD-CE2 4.06Å; M226-F273 HydrophobicContact SD-CZ 4.23Å |
| 227 | I | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 177 | -71.3 | 169.1 | 0 | 0 | 0 | 110.3 | M219 M223 L224 R229 K230 V231 L266 L270 F300 V309 | M219-I227 HydrophobicContact CE-CD1 3.83Å; M219-I227 HydrophobicContact SD-CD1 3.6Å; M219-I227 VanDerWaalsContact SD-CD1 3.6Å; M223-I227 HydrophobicContact CG-CD1 4.12Å; M223-I227 WeakPolarHBondContact O-CG1 3.33Å; M223-I227 PolarHBondContact O-N 3.43Å; L224-I227 PolarHBondContact O-N 3.38Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 2.89Å; I227-K230 PolarHBondContact O-N 3.24Å; I227-K230 VanDerWaalsContact O-N 3.16Å; I227-V231 HydrophobicContact CG2-CG2 4.49Å; I227-V231 WeakPolarHBondContact O-CG2 3.32Å; I227-V231 PolarHBondContact O-N 3.11Å; I227-L266 HydrophobicContact CG2-CD1 4.3Å; I227-L266 HydrophobicContact CG2-CD2 4.37Å; I227-L270 HydrophobicContact CD1-CD2 3.84Å; I227-L270 HydrophobicContact CG1-CD2 3.83Å; I227-F300 HydrophobicContact CG2-CE1 3.91Å; I227-F300 HydrophobicContact CG2-CZ 3.93Å; I227-V309 HydrophobicContact CD1-CG1 4.49Å |
| 228 | V | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | -179.8 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L190 V212 L224 K232 F300 | L190-V228 HydrophobicContact CD2-CG1 4.23Å; V212-V228 HydrophobicContact CB-CG1 4.49Å; V212-V228 HydrophobicContact CG1-CG1 4.28Å; V212-V228 HydrophobicContact CG1-CG2 4.3Å; V212-V228 HydrophobicContact CG2-CG1 3.55Å; L224-V228 HydrophobicContact CD1-CG2 4.31Å; L224-V228 HydrophobicContact CG-CG2 4.48Å; L224-V228 WeakPolarHBondContact O-CB 3.31Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.27Å; L224-V228 PolarHBondContact O-N 3.31Å; V228-K232 HydrophobicContact CG1-CD 4.33Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 3.02Å; V228-F300 HydrophobicContact CG2-CD2 4.45Å; V228-F300 HydrophobicContact CG2-CE2 4.23Å; V228-F300 HydrophobicContact CG2-CZ 4.26Å |
| 229 | R | 96.7 | Very high | 94.3 | Very high | 151 Ų | 151 | 65 Ų | 65 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.7 | -48.2 | 175 | -175.6 | 178.6 | 69.7 | 151.6 | 1.6 | 111.2 | A225 M226 I227 V231 K232 E233 | A225-R229 VanDerWaalsContact O-CB 3.27Å; A225-R229 WeakPolarHBondContact O-CB 3.37Å; A225-R229 PolarHBondContact O-N 2.95Å; M226-R229 PolarHBondContact O-N 3.09Å; I227-R229 VanDerWaalsContact C-N 3.3Å; I227-R229 PolarHBondContact O-N 2.89Å; R229-V231 PolarHBondContact O-N 3.08Å; R229-K232 PolarHBondContact O-N 3.19Å; R229-E233 WeakPolarHBondContact O-CG 3.37Å; R229-E233 PolarHBondContact O-N 3.32Å |
| 230 | K | 96.8 | Very high | 93.8 | Very high | 49 Ų | 49 | 73.6 Ų | 73.6 | 21% | 0.213 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | -179.7 | -170 | 70.4 | 177.8 | -172.2 | 0 | 111.8 | M226 I227 E233 A234 L266 F269 | M226-K230 WeakPolarHBondContact O-CB 3.31Å; M226-K230 PolarHBondContact O-N 2.9Å; I227-K230 PolarHBondContact O-N 3.24Å; I227-K230 VanDerWaalsContact O-N 3.16Å; K230-E233 PolarHBondContact O-N 3.46Å; K230-A234 WeakPolarHBondContact O-CB 3.36Å; K230-A234 PolarHBondContact O-N 3.28Å; K230-L266 HydrophobicContact CB-CD1 4.3Å; K230-L266 HydrophobicContact CG-CD1 4.24Å; K230-F269 HydrophobicContact CB-CD1 4.28Å; K230-F269 HydrophobicContact CB-CE1 4.24Å; K230-F269 HydrophobicContact CD-CD1 4.47Å; K230-F269 HydrophobicContact CD-CD2 3.99Å; K230-F269 HydrophobicContact CD-CE2 4.23Å; K230-F269 HydrophobicContact CD-CG 4.1Å; K230-F269 HydrophobicContact CG-CB 4.4Å; K230-F269 HydrophobicContact CG-CD1 3.92Å; K230-F269 HydrophobicContact CG-CD2 4.31Å; K230-F269 HydrophobicContact CG-CE1 4.28Å; K230-F269 HydrophobicContact CG-CG 3.92Å |
| 231 | V | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I227 R229 E233 A234 L235 L266 F300 F307 | I227-V231 HydrophobicContact CG2-CG2 4.49Å; I227-V231 WeakPolarHBondContact O-CG2 3.32Å; I227-V231 PolarHBondContact O-N 3.11Å; R229-V231 PolarHBondContact O-N 3.08Å; V231-E233 PolarHBondContact O-N 3.3Å; V231-A234 PolarHBondContact O-N 3.36Å; V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.41Å; V231-L235 VanDerWaalsContact O-CG 3.26Å; V231-L235 WeakPolarHBondContact O-CG 3.28Å; V231-L235 PolarHBondContact O-N 3.36Å; V231-L266 HydrophobicContact CG2-CD1 3.79Å; V231-L266 HydrophobicContact CG2-CD2 3.57Å; V231-L266 HydrophobicContact CG2-CG 4.26Å; V231-F300 HydrophobicContact CG2-CZ 4.23Å; V231-F307 HydrophobicContact CG1-CD1 4.06Å; V231-F307 HydrophobicContact CG1-CD2 4.41Å; V231-F307 HydrophobicContact CG1-CE1 3.55Å; V231-F307 HydrophobicContact CG1-CE2 3.94Å; V231-F307 HydrophobicContact CG1-CG 4.48Å; V231-F307 HydrophobicContact CG1-CZ 3.49Å; V231-F307 VanDerWaalsContact CG1-CZ 3.49Å; V231-F307 HydrophobicContact CG2-CD1 4.23Å; V231-F307 HydrophobicContact CG2-CE1 4.29Å |
| 232 | K | 95.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176 | -76.2 | 178.7 | 176.5 | -176.4 | 0 | 111.9 | V228 R229 L235 V236 L302 | V228-K232 HydrophobicContact CG1-CD 4.33Å; V228-K232 WeakPolarHBondContact O-CG 3.47Å; V228-K232 PolarHBondContact O-N 3.02Å; R229-K232 PolarHBondContact O-N 3.19Å; K232-L235 PolarHBondContact O-N 3.11Å; K232-V236 VanDerWaalsContact O-CG2 3.29Å; K232-V236 WeakPolarHBondContact O-CG2 3.21Å; K232-V236 PolarHBondContact O-N 3.38Å; K232-L302 HydrophobicContact CG-CD1 4.23Å; K232-L302 HydrophobicContact CG-CD2 4.3Å |
| 233 | E | 94.8 | Very high | 89.7 | Confident | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.8 | -73 | 172.6 | -169.2 | 0 | 0 | 112 | R229 K230 V231 L235 V236 R237 | R229-E233 WeakPolarHBondContact O-CG 3.37Å; R229-E233 PolarHBondContact O-N 3.32Å; K230-E233 PolarHBondContact O-N 3.46Å; V231-E233 PolarHBondContact O-N 3.3Å; E233-L235 VanDerWaalsContact C-N 3.35Å; E233-L235 PolarHBondContact O-N 3.31Å; E233-V236 PolarHBondContact O-N 3.02Å; E233-R237 WeakPolarHBondContact O-CB 3.08Å; E233-R237 PolarHBondContact O-N 3.31Å |
| 234 | A | 93.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K230 V231 R237 R238 | K230-A234 WeakPolarHBondContact O-CB 3.36Å; K230-A234 PolarHBondContact O-N 3.28Å; V231-A234 PolarHBondContact O-N 3.36Å; A234-R237 PolarHBondContact O-N 3.01Å; A234-R238 WeakPolarHBondContact O-CB 3.49Å; A234-R238 WeakPolarHBondContact O-CG 3.2Å; A234-R238 PolarHBondContact O-N 3.03Å |
| 235 | L | 92.2 | Very high | 85.8 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 177.7 | -67.2 | 170.4 | 0 | 0 | 0 | 112.5 | V231 K232 E233 R239 F258 V262 L302 F307 | V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.41Å; V231-L235 VanDerWaalsContact O-CG 3.26Å; V231-L235 WeakPolarHBondContact O-CG 3.28Å; V231-L235 PolarHBondContact O-N 3.36Å; K232-L235 PolarHBondContact O-N 3.11Å; E233-L235 VanDerWaalsContact C-N 3.35Å; E233-L235 PolarHBondContact O-N 3.31Å; L235-R239 WeakPolarHBondContact O-CB 3.34Å; L235-R239 PolarHBondContact O-N 3.33Å; L235-F258 HydrophobicContact CD2-CE1 3.74Å; L235-F258 HydrophobicContact CD2-CE2 4.47Å; L235-F258 HydrophobicContact CD2-CZ 3.38Å; L235-V262 HydrophobicContact CD2-CG1 4.5Å; L235-V262 HydrophobicContact CD2-CG2 4.1Å; L235-L302 HydrophobicContact CD1-CD2 3.12Å; L235-L302 HydrophobicContact CD1-CG 4.48Å; L235-F307 HydrophobicContact CD1-CZ 4.2Å |
| 236 | V | 91.5 | Very high | 83.6 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | K232 E233 R239 R240 | K232-V236 VanDerWaalsContact O-CG2 3.29Å; K232-V236 WeakPolarHBondContact O-CG2 3.21Å; K232-V236 PolarHBondContact O-N 3.38Å; E233-V236 PolarHBondContact O-N 3.02Å; V236-R239 PolarHBondContact O-N 3.47Å; V236-R240 PolarHBondContact O-N 2.88Å |
| 237 | R | 90.8 | Very high | 81.5 | Confident | 81 Ų | 81 | 82.7 Ų | 82.7 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 178.2 | -163.1 | -175.8 | -40.2 | 99.2 | -0.9 | 111.4 | E233 A234 R239 R240 E241 E265 | E233-R237 WeakPolarHBondContact O-CB 3.08Å; E233-R237 PolarHBondContact O-N 3.31Å; A234-R237 PolarHBondContact O-N 3.01Å; R237-R239 VanDerWaalsContact C-N 3.29Å; R237-R239 PolarHBondContact O-N 3Å; R237-R240 WeakPolarHBondContact O-CB 3.46Å; R237-R240 PolarHBondContact O-N 3.21Å; R237-E241 PolarHBondContact O-N 3.01Å; R237-E265 IonicContact CZ-OE1 2.76Å; R237-E265 IonicContact CZ-OE2 3.59Å; R237-E265 IonicContact NH1-OE1 3.2Å; R237-E265 PolarHBondContact NH1-OE1 3.45Å; R237-E265 IonicContact NH1-OE2 3.93Å; R237-E265 PolarHBondContact NH1-OE2 2.85Å; R237-E265 IonicContact NH2-OE1 3.78Å; R237-E265 PolarHBondContact NH2-OE1 3.5Å |
| 238 | R | 86 | Confident | 79 | Confident | 74 Ų | 74 | 86.9 Ų | 86.9 | 28% | 0.279 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -31.2 | 177.8 | -68.4 | -60.2 | -170.3 | 178.7 | 6.4 | 112.9 | A234 R240 E241 G242 F258 | A234-R238 WeakPolarHBondContact O-CB 3.49Å; A234-R238 WeakPolarHBondContact O-CG 3.2Å; A234-R238 PolarHBondContact O-N 3.03Å; R238-R240 VanDerWaalsContact C-N 3.29Å; R238-R240 PolarHBondContact O-N 2.9Å; R238-E241 VanDerWaalsContact CD-OE2 3.32Å; R238-E241 WeakPolarHBondContact CD-OE2 3.36Å; R238-E241 IonicContact CZ-OE2 2.61Å; R238-E241 IonicContact NE-OE2 3.56Å; R238-E241 IonicContact NH1-OE2 3.85Å; R238-E241 PolarHBondContact NH1-OE2 2.94Å; R238-E241 PolarHBondContact O-N 2.96Å; R238-G242 PolarHBondContact O-N 3.07Å; R238-F258 HydrophobicContact CB-CD2 4.4Å; R238-F258 HydrophobicContact CB-CE2 3.76Å; R238-F258 HydrophobicContact CG-CE2 4.46Å |
| 239 | R | 82.9 | Confident | 76.4 | Confident | 209 Ų | 209 | 96.1 Ų | 96.1 | 79% | 0.789 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.7 | -33.1 | 172.2 | -172.2 | 179.6 | -110.9 | -172.6 | -2.8 | 112.2 | L235 V236 R237 | L235-R239 WeakPolarHBondContact O-CB 3.34Å; L235-R239 PolarHBondContact O-N 3.33Å; V236-R239 PolarHBondContact O-N 3.47Å; R237-R239 VanDerWaalsContact C-N 3.29Å; R237-R239 PolarHBondContact O-N 3Å |
| 240 | R | 84.1 | Confident | 74.3 | Confident | 195 Ų | 195 | 95.3 Ų | 95.3 | 74% | 0.736 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -75.4 | -36.4 | 174.8 | -67 | 179.8 | -175.5 | 170.2 | 2.1 | 112.5 | V236 R237 R238 G242 T243 | V236-R240 PolarHBondContact O-N 2.88Å; R237-R240 WeakPolarHBondContact O-CB 3.46Å; R237-R240 PolarHBondContact O-N 3.21Å; R238-R240 VanDerWaalsContact C-N 3.29Å; R238-R240 PolarHBondContact O-N 2.9Å; R240-G242 VanDerWaalsContact C-N 3.33Å; R240-T243 PolarHBondContact O-OG1 2.96Å |
| 241 | E | 80.5 | Confident | 72.3 | Confident | 80 Ų | 80 | 100.8 Ų | 100.8 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.6 | -24.6 | 176.5 | -68.3 | 169.1 | -164.1 | 0 | 0 | 112.7 | R237 R238 T243 A244 F245 | R237-E241 PolarHBondContact O-N 3.01Å; R238-E241 VanDerWaalsContact CD-OE2 3.32Å; R238-E241 WeakPolarHBondContact CD-OE2 3.36Å; R238-E241 IonicContact CZ-OE2 2.61Å; R238-E241 IonicContact NE-OE2 3.56Å; R238-E241 IonicContact NH1-OE2 3.85Å; R238-E241 PolarHBondContact NH1-OE2 2.94Å; R238-E241 PolarHBondContact O-N 2.96Å; E241-T243 PolarHBondContact O-N 3.33Å; E241-T243 VanDerWaalsContact O-N 3.08Å; E241-A244 PolarHBondContact O-N 2.91Å; E241-F245 PolarHBondContact O-N 3.42Å |
| 242 | G | 65 | Low | 70.4 | Confident | 32 Ų | 32 | 107.2 Ų | 107.2 | 33% | 0.33 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R238 R240 | R238-G242 PolarHBondContact O-N 3.07Å; R240-G242 VanDerWaalsContact C-N 3.33Å |
| 243 | T | 56.1 | Low | 68.7 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 69% | 0.693 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -25.4 | 171.3 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | R240 E241 C246 | R240-T243 PolarHBondContact O-OG1 2.96Å; E241-T243 PolarHBondContact O-N 3.33Å; E241-T243 VanDerWaalsContact O-N 3.08Å; T243-C246 VanDerWaalsContact O-CB 3.28Å; T243-C246 WeakPolarHBondContact O-CB 3.45Å |
| 244 | A | 56 | Low | 67.2 | Low | 91 Ų | 91 | 109.9 Ų | 109.9 | 75% | 0.752 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -25.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E241 C246 | E241-A244 PolarHBondContact O-N 2.91Å; A244-C246 PolarHBondContact O-N 3.27Å |
| 245 | F | 55.4 | Low | 66.3 | Low | 140 Ų | 140 | 111.5 Ų | 111.5 | 61% | 0.614 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 17.4 | 175 | -130.1 | -94.3 | 0 | 0 | 0 | 113.5 | E241 L247 R254 | E241-F245 PolarHBondContact O-N 3.42Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 3.14Å; F245-R254 PolarHBondContact O-NH1 2.85Å; F245-R254 VanDerWaalsContact O-NH1 3.1Å; F245-R254 PolarHBondContact O-NH2 2.8Å |
| 246 | C | 49.5 | Very low | 65.8 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 13.4 | -167 | -154.9 | 0 | 0 | 0 | 0 | 114.9 | T243 A244 | T243-C246 VanDerWaalsContact O-CB 3.28Å; T243-C246 WeakPolarHBondContact O-CB 3.45Å; A244-C246 PolarHBondContact O-N 3.27Å |
| 247 | L | 52.8 | Low | 65.4 | Low | 164 Ų | 164 | 112.2 Ų | 112.2 | 86% | 0.859 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -16.9 | 177 | -87 | 159.1 | 0 | 0 | 0 | 115.4 | F245 K249 | F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 3.14Å; L247-K249 PolarHBondContact O-N 2.78Å; L247-K249 VanDerWaalsContact O-N 3.13Å |
| 248 | C | 45 | Very low | 65.2 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | trans | -85.3 | 92.8 | 172.3 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | F250 R254 | C248-F250 PolarHBondContact O-N 3.48Å; C248-F250 VanDerWaalsContact O-N 3.14Å; C248-R254 PolarHBondContact O-NH1 3.36Å | ||
| 249 | K | 42.2 | Very low | 65.5 | Low | 197 Ų | 197 | 108.3 Ų | 108.3 | 86% | 0.857 | 55% | 0.551 | S | S | * | * | trans | -71.4 | 84.3 | 170.7 | -75.8 | -172.7 | 174.1 | 178 | 0 | 111.6 | L247 | L247-K249 PolarHBondContact O-N 2.78Å; L247-K249 VanDerWaalsContact O-N 3.13Å | ||
| 250 | F | 53.2 | Low | 65.9 | Low | 135 Ų | 135 | 103 Ų | 103 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | trans | -143.4 | 90 | 153.1 | -142.6 | -94.4 | 0 | 0 | 0 | 107.7 | C248 E252 M253 | C248-F250 PolarHBondContact O-N 3.48Å; C248-F250 VanDerWaalsContact O-N 3.14Å; F250-E252 PolarHBondContact O-N 3.43Å; F250-M253 HydrophobicContact CB-CB 4.46Å; F250-M253 HydrophobicContact CD1-CB 4.28Å; F250-M253 HydrophobicContact CD1-CE 4.41Å; F250-M253 PolarHBondContact O-N 2.89Å | ||
| 251 | L | 54.2 | Low | 66.2 | Low | 163 Ų | 163 | 97.2 Ų | 97.2 | 85% | 0.853 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.9 | -164.1 | -78.7 | 163.1 | 0 | 0 | 0 | 114.6 | ||
| 252 | E | 57.2 | Low | 66.9 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -30.4 | -179.3 | -142.7 | 148.8 | 172.6 | 0 | 0 | 112.7 | F250 R254 | F250-E252 PolarHBondContact O-N 3.43Å; E252-R254 VanDerWaalsContact C-N 3.28Å; E252-R254 PolarHBondContact O-N 3.15Å |
| 253 | M | 59.4 | Low | 68.3 | Low | 123 Ų | 123 | 91.9 Ų | 91.9 | 61% | 0.606 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.2 | -177 | -156.7 | 175.4 | -77.4 | 0 | 0 | 113.1 | F250 S255 | F250-M253 HydrophobicContact CB-CB 4.46Å; F250-M253 HydrophobicContact CD1-CB 4.28Å; F250-M253 HydrophobicContact CD1-CE 4.41Å; F250-M253 PolarHBondContact O-N 2.89Å; M253-S255 VanDerWaalsContact C-N 3.33Å; M253-S255 PolarHBondContact O-N 2.98Å |
| 254 | R | 63.4 | Low | 70.2 | Confident | 90 Ų | 90 | 87.3 Ų | 87.3 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -29.7 | -174.8 | -67.4 | -176.3 | 89.8 | 96.2 | -2.4 | 113.5 | F245 C248 E252 F258 | F245-R254 PolarHBondContact O-NH1 2.85Å; F245-R254 VanDerWaalsContact O-NH1 3.1Å; F245-R254 PolarHBondContact O-NH2 2.8Å; C248-R254 PolarHBondContact O-NH1 3.36Å; E252-R254 VanDerWaalsContact C-N 3.28Å; E252-R254 PolarHBondContact O-N 3.15Å; R254-F258 VanDerWaalsContact O-CB 3.24Å; R254-F258 WeakPolarHBondContact O-CB 3.32Å; R254-F258 PolarHBondContact O-N 3.13Å |
| 255 | S | 75.9 | Confident | 72 | Confident | 36 Ų | 36 | 85 Ų | 85 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.9 | -43.3 | -175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | M253 F258 Y259 | M253-S255 VanDerWaalsContact C-N 3.33Å; M253-S255 PolarHBondContact O-N 2.98Å; S255-F258 PolarHBondContact O-N 3.32Å; S255-Y259 WeakPolarHBondContact O-CD2 3.49Å; S255-Y259 WeakPolarHBondContact O-CE2 3.36Å; S255-Y259 PolarHBondContact O-N 2.87Å |
| 256 | S | 79.9 | Confident | 74 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -48.2 | -177.5 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | F258 Y259 F260 | S256-F258 VanDerWaalsContact C-N 3.25Å; S256-F258 PolarHBondContact O-N 3.31Å; S256-Y259 PolarHBondContact O-N 3.29Å; S256-F260 WeakPolarHBondContact O-CB 3.45Å; S256-F260 PolarHBondContact O-N 3.47Å |
| 257 | V | 84 | Confident | 76.2 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | H261 | V257-H261 WeakPolarHBondContact CG1-CE1 3.5Å; V257-H261 PolarHBondContact O-N 2.8Å; V257-H261 VanDerWaalsContact O-N 3.17Å; V257-H261 PolarHBondContact O-ND1 3.11Å |
| 258 | F | 86.5 | Confident | 78.2 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.2 | 177.2 | -98.1 | 0 | 0 | 0 | 112.2 | L235 R238 R254 S255 S256 F260 H261 V262 I305 | L235-F258 HydrophobicContact CD2-CE1 3.74Å; L235-F258 HydrophobicContact CD2-CE2 4.47Å; L235-F258 HydrophobicContact CD2-CZ 3.38Å; R238-F258 HydrophobicContact CB-CD2 4.4Å; R238-F258 HydrophobicContact CB-CE2 3.76Å; R238-F258 HydrophobicContact CG-CE2 4.46Å; R254-F258 VanDerWaalsContact O-CB 3.24Å; R254-F258 WeakPolarHBondContact O-CB 3.32Å; R254-F258 PolarHBondContact O-N 3.13Å; S255-F258 PolarHBondContact O-N 3.32Å; S256-F258 VanDerWaalsContact C-N 3.25Å; S256-F258 PolarHBondContact O-N 3.31Å; F258-F260 VanDerWaalsContact C-N 3.33Å; F258-F260 PolarHBondContact O-N 3.43Å; F258-H261 PolarHBondContact O-N 2.92Å; F258-V262 HydrophobicContact CE1-CG2 4.39Å; F258-V262 HydrophobicContact CZ-CG2 4.32Å; F258-V262 WeakPolarHBondContact O-CG2 3.46Å; F258-V262 PolarHBondContact O-N 3.39Å; F258-I305 HydrophobicContact CE1-CD1 4.08Å |
| 259 | Y | 91.6 | Very high | 80.7 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 179.2 | -61.2 | -42.2 | 0 | 0 | 0 | 112.2 | A4 S255 S256 V262 A263 V282 R284 I305 | A4-Y259 HydrophobicContact CB-CD2 3.93Å; A4-Y259 HydrophobicContact CB-CE2 3.79Å; A4-Y259 WeakPolarHBondContact O-CD2 3.33Å; S255-Y259 WeakPolarHBondContact O-CD2 3.49Å; S255-Y259 WeakPolarHBondContact O-CE2 3.36Å; S255-Y259 PolarHBondContact O-N 2.87Å; S256-Y259 PolarHBondContact O-N 3.29Å; Y259-V262 PolarHBondContact O-N 2.61Å; Y259-A263 VanDerWaalsContact O-CB 3.32Å; Y259-A263 WeakPolarHBondContact O-CB 3.43Å; Y259-A263 PolarHBondContact O-N 2.86Å; Y259-V282 HydrophobicContact CD1-CG1 3.73Å; Y259-V282 HydrophobicContact CG-CG1 4.19Å; Y259-R284 WeakPolarHBondContact OH-CG 3.41Å; Y259-R284 PolarHBondContact OH-NE 3.45Å; Y259-I305 HydrophobicContact CD1-CG2 4.16Å; Y259-I305 HydrophobicContact CE1-CD1 3.86Å; Y259-I305 HydrophobicContact CE1-CG1 3.89Å; Y259-I305 HydrophobicContact CE1-CG2 3.84Å |
| 260 | F | 91.2 | Very high | 83.3 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58 | -50.9 | 177 | 178.1 | -99.3 | 0 | 0 | 0 | 111.8 | A6 T8 S256 F258 V262 A263 T264 | A6-F260 HydrophobicContact CB-CB 4Å; T8-F260 HydrophobicContact CG2-CD2 3.92Å; T8-F260 HydrophobicContact CG2-CE2 3.9Å; S256-F260 WeakPolarHBondContact O-CB 3.45Å; S256-F260 PolarHBondContact O-N 3.47Å; F258-F260 VanDerWaalsContact C-N 3.33Å; F258-F260 PolarHBondContact O-N 3.43Å; F260-V262 VanDerWaalsContact C-N 3.32Å; F260-V262 PolarHBondContact O-N 2.97Å; F260-A263 PolarHBondContact O-N 3.03Å; F260-T264 PolarHBondContact O-N 3.45Å; F260-T264 PolarHBondContact O-OG1 3.08Å |
| 261 | H | 91.6 | Very high | 85.2 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 179.7 | -75 | 129.8 | 0 | 0 | 0 | 113.5 | V257 F258 E265 | V257-H261 WeakPolarHBondContact CG1-CE1 3.5Å; V257-H261 PolarHBondContact O-N 2.8Å; V257-H261 VanDerWaalsContact O-N 3.17Å; V257-H261 PolarHBondContact O-ND1 3.11Å; F258-H261 PolarHBondContact O-N 2.92Å; H261-E265 WeakPolarHBondContact O-CB 3.44Å; H261-E265 PolarHBondContact O-N 3.34Å; H261-E265 VanDerWaalsContact O-N 3.07Å |
| 262 | V | 94.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | L235 F258 Y259 F260 E265 L266 F307 | L235-V262 HydrophobicContact CD2-CG1 4.5Å; L235-V262 HydrophobicContact CD2-CG2 4.1Å; F258-V262 HydrophobicContact CE1-CG2 4.39Å; F258-V262 HydrophobicContact CZ-CG2 4.32Å; F258-V262 WeakPolarHBondContact O-CG2 3.46Å; F258-V262 PolarHBondContact O-N 3.39Å; Y259-V262 PolarHBondContact O-N 2.61Å; F260-V262 VanDerWaalsContact C-N 3.32Å; F260-V262 PolarHBondContact O-N 2.97Å; V262-E265 PolarHBondContact O-N 3.44Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 PolarHBondContact O-N 3.37Å; V262-F307 HydrophobicContact CG1-CE1 3.83Å; V262-F307 HydrophobicContact CG1-CZ 4.43Å |
| 263 | A | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T8 Y259 F260 L266 K267 V280 V282 | T8-A263 HydrophobicContact CG2-CB 3.75Å; Y259-A263 VanDerWaalsContact O-CB 3.32Å; Y259-A263 WeakPolarHBondContact O-CB 3.43Å; Y259-A263 PolarHBondContact O-N 2.86Å; F260-A263 PolarHBondContact O-N 3.03Å; A263-L266 PolarHBondContact O-N 3.45Å; A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 3.34Å; A263-V280 HydrophobicContact CB-CG1 4.06Å; A263-V282 HydrophobicContact CB-CB 4.41Å; A263-V282 HydrophobicContact CB-CG2 3.79Å |
| 264 | T | 94.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 51 Ų | 51 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | F10 F260 L266 K267 K268 | F10-T264 HydrophobicContact CE2-CG2 4.29Å; F10-T264 HydrophobicContact CZ-CG2 3.96Å; F260-T264 PolarHBondContact O-N 3.45Å; F260-T264 PolarHBondContact O-OG1 3.08Å; T264-L266 VanDerWaalsContact C-N 3.33Å; T264-L266 PolarHBondContact O-N 2.92Å; T264-K267 PolarHBondContact O-N 2.99Å; T264-K268 HydrophobicContact CG2-CD 4.28Å; T264-K268 WeakPolarHBondContact O-CB 3.49Å; T264-K268 WeakPolarHBondContact O-CG 3.37Å; T264-K268 PolarHBondContact O-N 3.2Å |
| 265 | E | 95.1 | Very high | 91.1 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.8 | -172.4 | -175.2 | 155.8 | 0 | 0 | 111.3 | R237 H261 V262 F269 | R237-E265 IonicContact CZ-OE1 2.76Å; R237-E265 IonicContact CZ-OE2 3.59Å; R237-E265 IonicContact NH1-OE1 3.2Å; R237-E265 PolarHBondContact NH1-OE1 3.45Å; R237-E265 IonicContact NH1-OE2 3.93Å; R237-E265 PolarHBondContact NH1-OE2 2.85Å; R237-E265 IonicContact NH2-OE1 3.78Å; R237-E265 PolarHBondContact NH2-OE1 3.5Å; H261-E265 WeakPolarHBondContact O-CB 3.44Å; H261-E265 PolarHBondContact O-N 3.34Å; H261-E265 VanDerWaalsContact O-N 3.07Å; V262-E265 PolarHBondContact O-N 3.44Å; E265-F269 WeakPolarHBondContact O-CB 3.16Å; E265-F269 PolarHBondContact O-N 2.99Å; E265-F269 VanDerWaalsContact O-N 3.11Å |
| 266 | L | 96.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 179 | -171.2 | 63.3 | 0 | 0 | 0 | 111.9 | I227 K230 V231 V262 A263 T264 F269 L270 V280 V309 | I227-L266 HydrophobicContact CG2-CD1 4.3Å; I227-L266 HydrophobicContact CG2-CD2 4.37Å; K230-L266 HydrophobicContact CB-CD1 4.3Å; K230-L266 HydrophobicContact CG-CD1 4.24Å; V231-L266 HydrophobicContact CG2-CD1 3.79Å; V231-L266 HydrophobicContact CG2-CD2 3.57Å; V231-L266 HydrophobicContact CG2-CG 4.26Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 PolarHBondContact O-N 3.37Å; A263-L266 PolarHBondContact O-N 3.45Å; T264-L266 VanDerWaalsContact C-N 3.33Å; T264-L266 PolarHBondContact O-N 2.92Å; L266-F269 HydrophobicContact CD1-CD1 4.49Å; L266-F269 PolarHBondContact O-N 2.74Å; L266-L270 HydrophobicContact CG-CD1 4.12Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3Å; L266-V280 HydrophobicContact CB-CG1 4.38Å; L266-V280 HydrophobicContact CD2-CG1 3.89Å; L266-V280 HydrophobicContact CD2-CG2 4.44Å; L266-V280 HydrophobicContact CG-CG2 4.43Å; L266-V309 HydrophobicContact CD2-CG2 3.86Å |
| 267 | K | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.1 | -177.1 | -177.5 | 175.7 | -59.2 | 0 | 111.2 | F10 A263 T264 F269 L270 D271 W278 V280 | F10-K267 HydrophobicContact CD2-CD 3.42Å; F10-K267 VanDerWaalsContact CD2-CD 3.42Å; F10-K267 HydrophobicContact CE2-CD 3.86Å; F10-K267 HydrophobicContact CG-CD 4.47Å; A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 3.34Å; T264-K267 PolarHBondContact O-N 2.99Å; K267-F269 VanDerWaalsContact C-N 3.3Å; K267-F269 PolarHBondContact O-N 2.75Å; K267-L270 PolarHBondContact O-N 2.83Å; K267-D271 WeakPolarHBondContact CG-OD2 2.91Å; K267-D271 IonicContact NZ-OD1 2.96Å; K267-D271 IonicContact NZ-OD2 2.65Å; K267-D271 PolarHBondContact NZ-OD2 3.25Å; K267-D271 PolarHBondContact O-N 3.45Å; K267-W278 WeakPolarHBondContact CE-O 3.42Å; K267-V280 HydrophobicContact CB-CB 4.4Å; K267-V280 HydrophobicContact CB-CG2 3.86Å |
| 268 | K | 95.7 | Very high | 92.6 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 53% | 0.53 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.3 | -46.9 | 176.3 | -74.1 | -179.7 | 177.9 | -171 | 0 | 111.6 | T264 L270 D271 D272 | T264-K268 HydrophobicContact CG2-CD 4.28Å; T264-K268 WeakPolarHBondContact O-CB 3.49Å; T264-K268 WeakPolarHBondContact O-CG 3.37Å; T264-K268 PolarHBondContact O-N 3.2Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 2.85Å; K268-D271 PolarHBondContact O-N 2.85Å; K268-D272 WeakPolarHBondContact O-CB 3.45Å; K268-D272 PolarHBondContact O-N 2.88Å |
| 269 | F | 96.2 | Very high | 93 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -36.4 | 176.8 | 172.7 | -99.9 | 0 | 0 | 0 | 113.3 | K230 E265 L266 K267 F273 | K230-F269 HydrophobicContact CB-CD1 4.28Å; K230-F269 HydrophobicContact CB-CE1 4.24Å; K230-F269 HydrophobicContact CD-CD1 4.47Å; K230-F269 HydrophobicContact CD-CD2 3.99Å; K230-F269 HydrophobicContact CD-CE2 4.23Å; K230-F269 HydrophobicContact CD-CG 4.1Å; K230-F269 HydrophobicContact CG-CB 4.4Å; K230-F269 HydrophobicContact CG-CD1 3.92Å; K230-F269 HydrophobicContact CG-CD2 4.31Å; K230-F269 HydrophobicContact CG-CE1 4.28Å; K230-F269 HydrophobicContact CG-CG 3.92Å; E265-F269 WeakPolarHBondContact O-CB 3.16Å; E265-F269 PolarHBondContact O-N 2.99Å; E265-F269 VanDerWaalsContact O-N 3.11Å; L266-F269 HydrophobicContact CD1-CD1 4.49Å; L266-F269 PolarHBondContact O-N 2.74Å; K267-F269 VanDerWaalsContact C-N 3.3Å; K267-F269 PolarHBondContact O-N 2.75Å; F269-F273 WeakPolarHBondContact O-CB 3.24Å; F269-F273 PolarHBondContact O-N 3.1Å |
| 270 | L | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.3 | -42.5 | 179.1 | -74.4 | 167.5 | 0 | 0 | 0 | 112.7 | M223 I227 L266 K267 K268 D272 F273 D274 W278 V280 V309 | M223-L270 HydrophobicContact CE-CD2 3.9Å; I227-L270 HydrophobicContact CD1-CD2 3.84Å; I227-L270 HydrophobicContact CG1-CD2 3.83Å; L266-L270 HydrophobicContact CG-CD1 4.12Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3Å; K267-L270 PolarHBondContact O-N 2.83Å; K268-L270 VanDerWaalsContact C-N 3.26Å; K268-L270 PolarHBondContact O-N 2.85Å; L270-D272 PolarHBondContact O-N 2.8Å; L270-F273 PolarHBondContact O-N 3.05Å; L270-F273 VanDerWaalsContact O-N 3.11Å; L270-D274 PolarHBondContact O-N 2.92Å; L270-D274 VanDerWaalsContact O-O 3.08Å; L270-W278 VanDerWaalsContact C-CD1 3.48Å; L270-W278 HydrophobicContact CB-CB 3.91Å; L270-W278 HydrophobicContact CB-CD2 3.86Å; L270-W278 HydrophobicContact CB-CG 3.54Å; L270-W278 HydrophobicContact CD1-CB 4.43Å; L270-W278 HydrophobicContact CD1-CD2 4.24Å; L270-W278 HydrophobicContact CD1-CE3 4.07Å; L270-W278 HydrophobicContact CD1-CG 4.4Å; L270-W278 HydrophobicContact CD2-CD2 4.38Å; L270-W278 HydrophobicContact CD2-CE3 4.47Å; L270-W278 HydrophobicContact CG-CD2 4.4Å; L270-W278 HydrophobicContact CG-CG 4.49Å; L270-W278 PolarHBondContact O-NE1 2.79Å; L270-V280 HydrophobicContact CD1-CG2 4.01Å; L270-V309 HydrophobicContact CD1-CG1 3.35Å |
| 271 | D | 94.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -32.2 | 175.3 | -66.1 | -32.8 | 0 | 0 | 0 | 112 | K267 K268 P276 W278 | K267-D271 WeakPolarHBondContact CG-OD2 2.91Å; K267-D271 IonicContact NZ-OD1 2.96Å; K267-D271 IonicContact NZ-OD2 2.65Å; K267-D271 PolarHBondContact NZ-OD2 3.25Å; K267-D271 PolarHBondContact O-N 3.45Å; K268-D271 PolarHBondContact O-N 2.85Å; D271-P276 HydrophobicContact CB-CB 4.32Å; D271-W278 WeakPolarHBondContact OD1-CB 3.37Å; D271-W278 PolarHBondContact OD1-N 3.22Å |
| 272 | D | 94.6 | Very high | 93.8 | Very high | 142 Ų | 142 | 35.3 Ų | 35.3 | 76% | 0.759 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -74.1 | -28.6 | 174.5 | -68.1 | -22.2 | 0 | 0 | 0 | 112.5 | K268 L270 | K268-D272 WeakPolarHBondContact O-CB 3.45Å; K268-D272 PolarHBondContact O-N 2.88Å; L270-D272 PolarHBondContact O-N 2.8Å |
| 273 | F | 92 | Very high | 93.8 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -89.3 | -40.6 | -174 | -175.1 | -91.9 | 0 | 0 | 0 | 113 | M223 M226 F269 L270 | M223-F273 HydrophobicContact CE-CD1 4.21Å; M226-F273 HydrophobicContact CE-CE1 3.8Å; M226-F273 HydrophobicContact CE-CE2 3.74Å; M226-F273 HydrophobicContact CE-CZ 3.33Å; M226-F273 HydrophobicContact SD-CE2 4.06Å; M226-F273 HydrophobicContact SD-CZ 4.23Å; F269-F273 WeakPolarHBondContact O-CB 3.24Å; F269-F273 PolarHBondContact O-N 3.1Å; L270-F273 PolarHBondContact O-N 3.05Å; L270-F273 VanDerWaalsContact O-N 3.11Å |
| 274 | D | 86 | Confident | 93.6 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -139.3 | 153.8 | -179.2 | -172.2 | 21.7 | 0 | 0 | 0 | 110.1 | M223 L270 W278 R311 | M223-D274 HydrophobicContact CE-CB 4.32Å; L270-D274 PolarHBondContact O-N 2.92Å; L270-D274 VanDerWaalsContact O-O 3.08Å; D274-W278 HydrophobicContact CB-CZ2 4.03Å; D274-W278 PolarHBondContact O-NE1 2.93Å; D274-W278 WeakPolarHBondContact OD2-CZ2 3.44Å; D274-R311 IonicContact OD1-NH1 2.73Å; D274-R311 IonicContact OD2-NH1 2.8Å; D274-R311 PolarHBondContact OD2-NH1 2.98Å |
| 275 | S | 85 | Confident | 93.3 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 46% | 0.462 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -48.4 | 126.1 | -171.4 | -64 | 0 | 0 | 0 | 0 | 112.1 | R311 | S275-R311 WeakPolarHBondContact O-CD 3.37Š|
| 276 | P | 84.4 | Confident | 93.1 | Very high | 41 Ų | 41 | 40 Ų | 40 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -63.5 | 165.7 | 177.1 | 25 | -33.5 | 0 | 0 | 0 | 111.6 | D271 R314 | D271-P276 HydrophobicContact CB-CB 4.32Å; P276-R314 PolarHBondContact O-NH1 2.9Å; P276-R314 PolarHBondContact O-NH2 2.85Å |
| 277 | P | 91.6 | Very high | 92.8 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | cis | -99.8 | 123.7 | 2.4 | 34.4 | -29.2 | 0 | 0 | 0 | 113.3 | ||
| 278 | W | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 146 | 169.1 | -73.6 | 88.4 | 0 | 0 | 0 | 111.8 | M223 K267 L270 D271 D274 S296 V309 R311 | M223-W278 HydrophobicContact CE-CH2 3.38Å; M223-W278 HydrophobicContact CE-CZ2 3.29Å; M223-W278 HydrophobicContact CE-CZ3 4.33Å; M223-W278 HydrophobicContact SD-CH2 4.29Å; K267-W278 WeakPolarHBondContact CE-O 3.42Å; L270-W278 VanDerWaalsContact C-CD1 3.48Å; L270-W278 HydrophobicContact CB-CB 3.91Å; L270-W278 HydrophobicContact CB-CD2 3.86Å; L270-W278 HydrophobicContact CB-CG 3.54Å; L270-W278 HydrophobicContact CD1-CB 4.43Å; L270-W278 HydrophobicContact CD1-CD2 4.24Å; L270-W278 HydrophobicContact CD1-CE3 4.07Å; L270-W278 HydrophobicContact CD1-CG 4.4Å; L270-W278 HydrophobicContact CD2-CD2 4.38Å; L270-W278 HydrophobicContact CD2-CE3 4.47Å; L270-W278 HydrophobicContact CG-CD2 4.4Å; L270-W278 HydrophobicContact CG-CG 4.49Å; L270-W278 PolarHBondContact O-NE1 2.79Å; D271-W278 WeakPolarHBondContact OD1-CB 3.37Å; D271-W278 PolarHBondContact OD1-N 3.22Å; D274-W278 HydrophobicContact CB-CZ2 4.03Å; D274-W278 PolarHBondContact O-NE1 2.93Å; D274-W278 WeakPolarHBondContact OD2-CZ2 3.44Å; W278-S296 WeakPolarHBondContact CZ3-O 3.05Å; W278-V309 HydrophobicContact CE3-CG1 3.71Å; W278-V309 HydrophobicContact CZ3-CG1 3.9Å; W278-R311 HydrophobicContact CD2-CB 4.43Å; W278-R311 HydrophobicContact CE3-CB 4.3Å; W278-R311 HydrophobicContact CH2-CB 4.48Å; W278-R311 HydrophobicContact CZ3-CB 4.34Å |
| 279 | Q | 95.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.7 | 172.4 | -63 | -63.1 | -23.3 | 0 | 0 | 109.4 | T8 T9 V309 F310 H312 | T8-Q279 PolarHBondContact O-OE1 3.24Å; T8-Q279 VanDerWaalsContact O-OE1 3.08Å; T9-Q279 VanDerWaalsContact CG2-OE1 3.25Å; Q279-V309 WeakPolarHBondContact O-CA 3.49Å; Q279-F310 HydrophobicContact CB-CD1 4.17Å; Q279-F310 HydrophobicContact CB-CD2 3.93Å; Q279-F310 HydrophobicContact CB-CE1 3.74Å; Q279-F310 HydrophobicContact CB-CE2 3.49Å; Q279-F310 VanDerWaalsContact CB-CE2 3.49Å; Q279-F310 HydrophobicContact CB-CG 4.26Å; Q279-F310 HydrophobicContact CB-CZ 3.39Å; Q279-F310 HydrophobicContact CG-CD2 4.34Å; Q279-F310 HydrophobicContact CG-CE2 3.71Å; Q279-F310 HydrophobicContact CG-CZ 3.95Å; Q279-F310 PolarHBondContact N-O 3.22Å; Q279-F310 PolarHBondContact O-N 3.27Å; Q279-H312 VanDerWaalsContact CG-CD2 3.45Å; Q279-H312 WeakPolarHBondContact CG-CD2 3.41Å |
| 280 | V | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.2 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | T8 A263 L266 K267 L270 V282 M308 V309 | T8-V280 PolarHBondContact N-O 3.3Å; T8-V280 PolarHBondContact OG1-O 3.08Å; A263-V280 HydrophobicContact CB-CG1 4.06Å; L266-V280 HydrophobicContact CB-CG1 4.38Å; L266-V280 HydrophobicContact CD2-CG1 3.89Å; L266-V280 HydrophobicContact CD2-CG2 4.44Å; L266-V280 HydrophobicContact CG-CG2 4.43Å; K267-V280 HydrophobicContact CB-CB 4.4Å; K267-V280 HydrophobicContact CB-CG2 3.86Å; L270-V280 HydrophobicContact CD1-CG2 4.01Å; V280-V282 HydrophobicContact CG1-CG2 3.95Å; V280-M308 WeakPolarHBondContact CA-O 3.49Å; V280-V309 HydrophobicContact CG1-CG2 4.38Å; V280-V309 HydrophobicContact CG2-CG1 4.43Å; V280-V309 HydrophobicContact CG2-CG2 4.35Å |
| 281 | I | 96.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.3 | 176.5 | -62.2 | -177.7 | 0 | 0 | 0 | 108.1 | V5 V7 F286 V288 M308 F310 | V5-I281 HydrophobicContact CG1-CG2 3.94Å; V7-I281 HydrophobicContact CG1-CD1 4.42Å; V7-I281 HydrophobicContact CG1-CG1 4.24Å; V7-I281 HydrophobicContact CG2-CD1 4.34Å; V7-I281 HydrophobicContact CG2-CG1 4.23Å; I281-F286 HydrophobicContact CG2-CD1 4.4Å; I281-F286 HydrophobicContact CG2-CD2 4.21Å; I281-F286 HydrophobicContact CG2-CE1 4.48Å; I281-F286 HydrophobicContact CG2-CE2 4.29Å; I281-F286 HydrophobicContact CG2-CG 4.25Å; I281-F286 HydrophobicContact CG2-CZ 4.41Å; I281-V288 HydrophobicContact CD1-CG2 4.27Å; I281-M308 HydrophobicContact CB-CB 4.37Å; I281-M308 HydrophobicContact CB-CE 4.29Å; I281-M308 HydrophobicContact CD1-CE 3.61Å; I281-M308 HydrophobicContact CG1-CE 4.32Å; I281-M308 PolarHBondContact N-O 2.96Å; I281-M308 PolarHBondContact O-N 2.91Å; I281-F310 HydrophobicContact CD1-CE1 4.05Å; I281-F310 HydrophobicContact CG1-CE1 4.41Å |
| 282 | V | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.7 | 179.7 | -174 | 0 | 0 | 0 | 0 | 109.2 | A6 Y259 A263 V280 I305 G306 F307 | A6-V282 PolarHBondContact N-O 2.6Å; A6-V282 PolarHBondContact O-N 2.79Å; Y259-V282 HydrophobicContact CD1-CG1 3.73Å; Y259-V282 HydrophobicContact CG-CG1 4.19Å; A263-V282 HydrophobicContact CB-CB 4.41Å; A263-V282 HydrophobicContact CB-CG2 3.79Å; V280-V282 HydrophobicContact CG1-CG2 3.95Å; V282-I305 HydrophobicContact CG1-CG2 3.57Å; V282-G306 WeakPolarHBondContact CA-O 3.36Å; V282-F307 HydrophobicContact CB-CD1 4.43Å; V282-F307 HydrophobicContact CB-CE1 4.4Å; V282-F307 HydrophobicContact CG1-CD1 4.03Å; V282-F307 HydrophobicContact CG1-CE1 3.64Å; V282-F307 HydrophobicContact CG1-CZ 4Å; V282-F307 HydrophobicContact CG2-CD1 3.63Å; V282-F307 HydrophobicContact CG2-CE1 3.79Å |
| 283 | G | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 169.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A4 G306 | A4-G283 WeakPolarHBondContact O-CA 3.28Å; G283-G306 PolarHBondContact N-O 3.01Å; G283-G306 VanDerWaalsContact N-O 3.14Å; G283-G306 WeakPolarHBondContact O-CA 3.46Å; G283-G306 PolarHBondContact O-N 2.82Å |
| 284 | R | 91.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 33.8 Ų | 33.8 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -71.3 | -44.6 | 178.2 | -72.7 | -176.8 | 166.7 | 155.7 | 1.2 | 112.6 | I135 Y259 D304 | I135-R284 WeakPolarHBondContact CD1-O 3.4Å; Y259-R284 WeakPolarHBondContact OH-CG 3.41Å; Y259-R284 PolarHBondContact OH-NE 3.45Å; R284-D304 WeakPolarHBondContact CA-O 3.43Å; R284-D304 IonicContact CZ-OD2 2.96Å; R284-D304 IonicContact NE-OD2 3.55Å; R284-D304 PolarHBondContact NE-OD2 3.43Å; R284-D304 IonicContact NH2-OD2 3.62Å |
| 285 | S | 88 | Confident | 92.3 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -141.4 | 124.6 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | T3 A133 | T3-S285 VanDerWaalsContact CG2-O 3.26Å; T3-S285 WeakPolarHBondContact CG2-O 3.36Å; A133-S285 PolarHBondContact O-OG 3.45Å |
| 286 | F | 91.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | trans | -151 | 151.9 | 173.3 | 53.3 | -93.4 | 0 | 0 | 0 | 109.7 | V5 I281 V288 Y299 G306 M308 | V5-F286 HydrophobicContact CG2-CB 4.16Å; I281-F286 HydrophobicContact CG2-CD1 4.4Å; I281-F286 HydrophobicContact CG2-CD2 4.21Å; I281-F286 HydrophobicContact CG2-CE1 4.48Å; I281-F286 HydrophobicContact CG2-CE2 4.29Å; I281-F286 HydrophobicContact CG2-CG 4.25Å; I281-F286 HydrophobicContact CG2-CZ 4.41Å; F286-V288 HydrophobicContact CD2-CG2 4.08Å; F286-Y299 HydrophobicContact CE2-CD2 4.23Å; F286-Y299 AromaticContact CE2-CE2 3.61Å; F286-Y299 HydrophobicContact CE2-CE2 3.61Å; F286-Y299 HydrophobicContact CZ-CD2 4.25Å; F286-Y299 AromaticContact CZ-CE2 3.59Å; F286-Y299 HydrophobicContact CZ-CE2 3.59Å; F286-G306 WeakPolarHBondContact CE1-O 3.36Å; F286-M308 HydrophobicContact CE2-CB 3.7Å; F286-M308 HydrophobicContact CE2-CE 4.44Å; F286-M308 HydrophobicContact CE2-SD 4.27Å; F286-M308 HydrophobicContact CZ-CB 3.94Å | ||
| 287 | G | 89.8 | Confident | 93.3 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 57% | 0.567 | 18% | 0.181 | S | C | * | . | trans | -131.9 | 125.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | F131 | F131-G287 CarbonylContact O-C 3.5Å; F131-G287 WeakPolarHBondContact O-CA 3.42Å | ||
| 288 | V | 89.9 | Confident | 93.6 | Very high | 42 Ų | 42 | 30.2 Ų | 30.2 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | trans | -136.8 | 143.2 | -175.3 | -162.1 | 0 | 0 | 0 | 0 | 108.6 | F131 I281 F286 V290 M308 | F131-V288 PolarHBondContact N-O 3.21Å; F131-V288 PolarHBondContact O-N 3.38Å; I281-V288 HydrophobicContact CD1-CG2 4.27Å; F286-V288 HydrophobicContact CD2-CG2 4.08Å; V288-V290 HydrophobicContact CB-CG2 3.93Å; V288-V290 HydrophobicContact CG1-CG2 3.27Å; V288-M308 HydrophobicContact CB-CE 3.75Å; V288-M308 HydrophobicContact CG1-CE 4.16Å; V288-M308 HydrophobicContact CG2-CE 3.73Å | ||
| 289 | D | 92.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 30.7 Ų | 30.7 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.4 | 169.6 | -175 | 3.7 | 0 | 0 | 0 | 106.7 | R128 | R128-D289 WeakPolarHBondContact CG-OD1 3.43Å; R128-D289 IonicContact CZ-OD1 3.93Å; R128-D289 IonicContact CZ-OD2 3.38Å; R128-D289 IonicContact NE-OD1 3.04Å; R128-D289 PolarHBondContact NE-OD1 3.43Å; R128-D289 IonicContact NE-OD2 3.22Å; R128-D289 PolarHBondContact NE-OD2 2.92Å; R128-D289 IonicContact NH2-OD1 3.94Å; R128-D289 IonicContact NH2-OD2 2.7Å; R128-D289 PolarHBondContact NH2-OD2 2.98Å |
| 290 | V | 92.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.6 | -171 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | K129 V288 Y292 M308 F310 | K129-V290 PolarHBondContact N-O 2.99Å; K129-V290 PolarHBondContact O-N 3.08Å; V288-V290 HydrophobicContact CB-CG2 3.93Å; V288-V290 HydrophobicContact CG1-CG2 3.27Å; V290-Y292 HydrophobicContact CG1-CD1 4.47Å; V290-M308 HydrophobicContact CG2-CE 3.95Å; V290-F310 HydrophobicContact CG1-CD1 4.17Å; V290-F310 HydrophobicContact CG1-CD2 3.43Å; V290-F310 VanDerWaalsContact CG1-CD2 3.43Å; V290-F310 HydrophobicContact CG1-CE1 4.07Å; V290-F310 HydrophobicContact CG1-CE2 3.29Å; V290-F310 HydrophobicContact CG1-CG 3.87Å; V290-F310 HydrophobicContact CG1-CZ 3.63Å; V290-F310 HydrophobicContact CG2-CE1 4.15Å; V290-F310 HydrophobicContact CG2-CZ 4.11Å |
| 291 | T | 93.2 | Very high | 93.7 | Very high | 71 Ų | 71 | 30.2 Ų | 30.2 | 44% | 0.436 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.2 | 163.8 | 52.2 | 0 | 0 | 0 | 0 | 109 | R128 | R128-T291 HydrophobicContact CB-CG2 4.24Å; R128-T291 HydrophobicContact CG-CG2 4.19Å |
| 292 | Y | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 165.1 | -174 | 61.4 | -96.9 | 0 | 0 | 0 | 110.9 | V127 K129 E218 V290 F297 R311 | V127-Y292 HydrophobicContact CB-CE1 4.47Å; V127-Y292 HydrophobicContact CB-CE2 4.03Å; V127-Y292 HydrophobicContact CG1-CE1 4.34Å; V127-Y292 HydrophobicContact CG1-CE2 4.39Å; V127-Y292 WeakPolarHBondContact CG1-OH 3.38Å; V127-Y292 PolarHBondContact O-N 2.65Å; K129-Y292 HydrophobicContact CB-CE1 4.13Å; K129-Y292 HydrophobicContact CD-CE1 4.19Å; K129-Y292 WeakPolarHBondContact CD-OH 3.36Å; K129-Y292 WeakPolarHBondContact CE-OH 3.38Å; K129-Y292 HydrophobicContact CG-CE1 4.07Å; K129-Y292 PolarHBondContact NZ-OH 2.96Å; E218-Y292 PolarHBondContact OE1-OH 2.75Å; E218-Y292 WeakPolarHBondContact OE2-CE2 3.26Å; E218-Y292 PolarHBondContact OE2-OH 3.33Å; V290-Y292 HydrophobicContact CG1-CD1 4.47Å; Y292-F297 HydrophobicContact CD1-CB 4.37Å; Y292-F297 AromaticContact CD1-CD2 3.61Å; Y292-F297 HydrophobicContact CD1-CD2 3.61Å; Y292-F297 HydrophobicContact CD1-CE2 4.27Å; Y292-F297 HydrophobicContact CD1-CG 4.17Å; Y292-F297 HydrophobicContact CD2-CB 3.51Å; Y292-F297 HydrophobicContact CD2-CD2 4.26Å; Y292-F297 HydrophobicContact CD2-CG 4.18Å; Y292-F297 HydrophobicContact CE1-CB 4.21Å; Y292-F297 AromaticContact CE1-CD2 3.62Å; Y292-F297 HydrophobicContact CE1-CD2 3.62Å; Y292-F297 HydrophobicContact CE1-CE2 4.18Å; Y292-F297 AromaticContact CE1-CG 3.85Å; Y292-F297 HydrophobicContact CE1-CG 3.85Å; Y292-F297 HydrophobicContact CE2-CB 3.33Å; Y292-F297 HydrophobicContact CE2-CD2 4.3Å; Y292-F297 AromaticContact CE2-CG 3.89Å; Y292-F297 HydrophobicContact CE2-CG 3.89Å; Y292-F297 HydrophobicContact CG-CB 4.05Å; Y292-F297 AromaticContact CG-CD2 3.94Å; Y292-F297 HydrophobicContact CG-CD2 3.94Å; Y292-F297 HydrophobicContact CG-CG 4.32Å; Y292-F297 AromaticContact CZ-CD2 3.99Å; Y292-F297 AromaticContact CZ-CG 3.71Å; Y292-R311 WeakPolarHBondContact CA-O 3.19Å; Y292-R311 WeakPolarHBondContact CB-O 3.18Å |
| 293 | D | 93 | Very high | 93.4 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | trans | -79.6 | 146 | 178.3 | -171.6 | 23.1 | 0 | 0 | 0 | 111.9 | S296 R311 | D293-S296 WeakPolarHBondContact O-CB 3.42Å; D293-S296 PolarHBondContact O-N 3.07Å; D293-S296 PolarHBondContact O-OG 3.31Å; D293-R311 PolarHBondContact N-O 3.39Å; D293-R311 IonicContact OD2-CZ 2.9Å; D293-R311 IonicContact OD2-NE 3.68Å; D293-R311 IonicContact OD2-NH2 3.02Å; D293-R311 PolarHBondContact OD2-NH2 3.41Å | ||
| 294 | L | 92.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 149 | -179.6 | -82.5 | 168.8 | 0 | 0 | 0 | 112.1 | R125 V127 S296 | R125-L294 HydrophobicContact CB-CD1 3.44Å; R125-L294 VanDerWaalsContact CB-CD1 3.44Å; R125-L294 HydrophobicContact CB-CG 4.45Å; R125-L294 HydrophobicContact CG-CD1 3.77Å; R125-L294 HydrophobicContact CG-CG 4.46Å; R125-L294 VanDerWaalsContact O-CD1 3.28Å; R125-L294 WeakPolarHBondContact O-CD1 3.43Å; R125-L294 WeakPolarHBondContact O-CG 3.47Å; V127-L294 HydrophobicContact CG2-CD2 3.42Å; V127-L294 VanDerWaalsContact CG2-CD2 3.42Å; V127-L294 HydrophobicContact CG2-CG 4.14Å; L294-S296 PolarHBondContact O-N 3.49Å; L294-S296 VanDerWaalsContact O-N 3.08Å |
| 295 | D | 93.4 | Very high | 93.3 | Very high | 112 Ų | 112 | 31.5 Ų | 31.5 | 60% | 0.599 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.6 | 179.4 | -58.9 | -35.5 | 0 | 0 | 0 | 114.6 | E218 M219 | E218-D295 CarbonylContact O-C 2.81Å; E218-D295 WeakPolarHBondContact O-CA 3.47Å; M219-D295 WeakPolarHBondContact CA-O 3.47Å; M219-D295 WeakPolarHBondContact CB-O 3.42Å |
| 296 | S | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | trans | -121.2 | 16.4 | -179.5 | 79.4 | 0 | 0 | 0 | 0 | 115 | E218 W278 D293 L294 F310 R311 | E218-S296 PolarHBondContact O-N 3.42Å; W278-S296 WeakPolarHBondContact CZ3-O 3.05Å; D293-S296 WeakPolarHBondContact O-CB 3.42Å; D293-S296 PolarHBondContact O-N 3.07Å; D293-S296 PolarHBondContact O-OG 3.31Å; L294-S296 PolarHBondContact O-N 3.49Å; L294-S296 VanDerWaalsContact O-N 3.08Å; S296-F310 VanDerWaalsContact O-CA 3.25Å; S296-F310 WeakPolarHBondContact O-CA 3.45Å; S296-R311 PolarHBondContact O-N 2.74Å; S296-R311 WeakPolarHBondContact OG-CB 3.09Å; S296-R311 PolarHBondContact OG-N 3.05Å | ||
| 297 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.7 | -173.3 | 178.7 | -89.7 | 0 | 0 | 0 | 113.3 | F131 D216 Y217 E218 Y292 M308 F310 | F131-F297 HydrophobicContact CD2-CZ 4.09Å; F131-F297 HydrophobicContact CE1-CE1 4.18Å; F131-F297 HydrophobicContact CE1-CZ 4Å; F131-F297 AromaticContact CE2-CE1 3.92Å; F131-F297 HydrophobicContact CE2-CE1 3.92Å; F131-F297 AromaticContact CE2-CE2 3.64Å; F131-F297 HydrophobicContact CE2-CE2 3.64Å; F131-F297 AromaticContact CE2-CZ 3.14Å; F131-F297 HydrophobicContact CE2-CZ 3.14Å; F131-F297 AromaticContact CZ-CE1 3.38Å; F131-F297 HydrophobicContact CZ-CE1 3.38Å; F131-F297 HydrophobicContact CZ-CE2 4.02Å; F131-F297 AromaticContact CZ-CZ 3.09Å; F131-F297 HydrophobicContact CZ-CZ 3.09Å; D216-F297 HydrophobicContact CB-CE1 4.2Å; Y217-F297 CarbonylContact C-O 3.6Å; Y217-F297 WeakPolarHBondContact CA-O 3.25Å; E218-F297 CarbonylContact C-O 3.56Å; E218-F297 HydrophobicContact CB-CB 4.35Å; E218-F297 PolarHBondContact N-O 3.28Å; E218-F297 PolarHBondContact O-N 3.35Å; Y292-F297 HydrophobicContact CD1-CB 4.37Å; Y292-F297 AromaticContact CD1-CD2 3.61Å; Y292-F297 HydrophobicContact CD1-CD2 3.61Å; Y292-F297 HydrophobicContact CD1-CE2 4.27Å; Y292-F297 HydrophobicContact CD1-CG 4.17Å; Y292-F297 HydrophobicContact CD2-CB 3.51Å; Y292-F297 HydrophobicContact CD2-CD2 4.26Å; Y292-F297 HydrophobicContact CD2-CG 4.18Å; Y292-F297 HydrophobicContact CE1-CB 4.21Å; Y292-F297 AromaticContact CE1-CD2 3.62Å; Y292-F297 HydrophobicContact CE1-CD2 3.62Å; Y292-F297 HydrophobicContact CE1-CE2 4.18Å; Y292-F297 AromaticContact CE1-CG 3.85Å; Y292-F297 HydrophobicContact CE1-CG 3.85Å; Y292-F297 HydrophobicContact CE2-CB 3.33Å; Y292-F297 HydrophobicContact CE2-CD2 4.3Å; Y292-F297 AromaticContact CE2-CG 3.89Å; Y292-F297 HydrophobicContact CE2-CG 3.89Å; Y292-F297 HydrophobicContact CG-CB 4.05Å; Y292-F297 AromaticContact CG-CD2 3.94Å; Y292-F297 HydrophobicContact CG-CD2 3.94Å; Y292-F297 HydrophobicContact CG-CG 4.32Å; Y292-F297 AromaticContact CZ-CD2 3.99Å; Y292-F297 AromaticContact CZ-CG 3.71Å; F297-M308 HydrophobicContact CE2-CG 3.92Å; F297-M308 HydrophobicContact CE2-SD 4.07Å; F297-M308 HydrophobicContact CZ-CG 4.17Å; F297-M308 HydrophobicContact CZ-SD 4.3Å; F297-F310 HydrophobicContact CD2-CB 3.86Å |
| 298 | A | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | M219 L224 F300 M308 V309 | M219-A298 HydrophobicContact CE-CB 3.37Å; M219-A298 HydrophobicContact CG-CB 4.43Å; M219-A298 HydrophobicContact SD-CB 3.81Å; L224-A298 HydrophobicContact CD1-CB 3.88Å; A298-F300 HydrophobicContact CB-CD1 4.43Å; A298-M308 WeakPolarHBondContact O-CA 3.32Å; A298-V309 PolarHBondContact N-O 2.7Å; A298-V309 PolarHBondContact O-N 2.94Å |
| 299 | Y | 97.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 117.5 | 173.3 | -179.4 | -137.8 | 0 | 0 | 0 | 110.4 | F131 M215 D216 F286 F301 F307 M308 | F131-Y299 AromaticContact CD1-CD1 3.75Å; F131-Y299 HydrophobicContact CD1-CD1 3.75Å; F131-Y299 HydrophobicContact CD1-CE1 4.06Å; F131-Y299 HydrophobicContact CE1-CD1 4.06Å; F131-Y299 HydrophobicContact CG-CD1 4.41Å; M215-Y299 HydrophobicContact CB-CD1 3.52Å; M215-Y299 HydrophobicContact CB-CE1 3.92Å; M215-Y299 HydrophobicContact CB-CG 4.19Å; M215-Y299 WeakPolarHBondContact CB-O 3.46Å; M215-Y299 HydrophobicContact CG-CD1 4.14Å; M215-Y299 HydrophobicContact CG-CE1 4.07Å; M215-Y299 PolarHBondContact N-O 3.32Å; D216-Y299 PolarHBondContact N-O 3.41Å; D216-Y299 VanDerWaalsContact N-O 3.1Å; D216-Y299 CarbonylContact O-C 3.55Å; D216-Y299 WeakPolarHBondContact O-CA 3.26Å; D216-Y299 PolarHBondContact O-N 2.69Å; F286-Y299 HydrophobicContact CE2-CD2 4.23Å; F286-Y299 AromaticContact CE2-CE2 3.61Å; F286-Y299 HydrophobicContact CE2-CE2 3.61Å; F286-Y299 HydrophobicContact CZ-CD2 4.25Å; F286-Y299 AromaticContact CZ-CE2 3.59Å; F286-Y299 HydrophobicContact CZ-CE2 3.59Å; Y299-F301 HydrophobicContact CE1-CE2 4.14Å; Y299-F301 AromaticContact CE2-CE2 3.94Å; Y299-F301 HydrophobicContact CE2-CE2 3.94Å; Y299-F301 HydrophobicContact CE2-CZ 4.22Å; Y299-F301 AromaticContact CZ-CE2 3.5Å; Y299-F301 AromaticContact CZ-CZ 3.85Å; Y299-F301 VanDerWaalsContact OH-CE2 3.24Å; Y299-F301 WeakPolarHBondContact OH-CE2 3.06Å; Y299-F301 WeakPolarHBondContact OH-CZ 3.34Å; Y299-F307 WeakPolarHBondContact CA-O 3.28Å; Y299-F307 WeakPolarHBondContact CD2-O 3.17Å; Y299-M308 HydrophobicContact CD2-CB 4Å; Y299-M308 HydrophobicContact CD2-CG 4.35Å |
| 300 | F | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160 | -178.3 | 62.5 | -87.4 | 0 | 0 | 0 | 111.6 | V212 V213 L214 L224 I227 V228 V231 A298 F307 | V212-F300 HydrophobicContact CG1-CB 4.4Å; V212-F300 HydrophobicContact CG1-CD2 4.1Å; V213-F300 CarbonylContact O-C 3.59Å; V213-F300 WeakPolarHBondContact O-CA 3.03Å; L214-F300 HydrophobicContact CD2-CB 3.67Å; L214-F300 HydrophobicContact CD2-CG 4.37Å; L224-F300 HydrophobicContact CD1-CD1 4.48Å; I227-F300 HydrophobicContact CG2-CE1 3.91Å; I227-F300 HydrophobicContact CG2-CZ 3.93Å; V228-F300 HydrophobicContact CG2-CD2 4.45Å; V228-F300 HydrophobicContact CG2-CE2 4.23Å; V228-F300 HydrophobicContact CG2-CZ 4.26Å; V231-F300 HydrophobicContact CG2-CZ 4.23Å; A298-F300 HydrophobicContact CB-CD1 4.43Å; F300-F307 HydrophobicContact CD1-CB 4.31Å; F300-F307 HydrophobicContact CD2-CB 4.09Å; F300-F307 HydrophobicContact CD2-CD2 4.27Å; F300-F307 HydrophobicContact CD2-CG 4.47Å; F300-F307 HydrophobicContact CE1-CB 3.89Å; F300-F307 HydrophobicContact CE2-CB 3.65Å; F300-F307 AromaticContact CE2-CD2 3.84Å; F300-F307 HydrophobicContact CE2-CD2 3.84Å; F300-F307 AromaticContact CE2-CG 3.81Å; F300-F307 HydrophobicContact CE2-CG 3.81Å; F300-F307 HydrophobicContact CG-CB 4.4Å; F300-F307 HydrophobicContact CZ-CB 3.55Å; F300-F307 HydrophobicContact CZ-CD2 4.47Å; F300-F307 AromaticContact CZ-CG 3.98Å; F300-F307 HydrophobicContact CZ-CG 3.98Å; F300-F307 PolarHBondContact N-O 3.04Å; F300-F307 PolarHBondContact O-N 2.8Å |
| 301 | F | 95.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.9 | 172.8 | -75.6 | -93.7 | 0 | 0 | 0 | 110.1 | A133 R204 V212 V213 M215 Y299 I305 | A133-F301 HydrophobicContact CB-CZ 4.33Å; R204-F301 VanDerWaalsContact NH1-CE1 3.31Å; R204-F301 VanDerWaalsContact NH2-CE2 3.3Å; V212-F301 CarbonylContact C-O 3.57Å; V212-F301 WeakPolarHBondContact CA-O 3.14Å; V213-F301 HydrophobicContact CB-CB 4.31Å; V213-F301 PolarHBondContact N-O 3.04Å; V213-F301 PolarHBondContact O-N 3.35Å; M215-F301 HydrophobicContact CE-CD2 3.65Å; M215-F301 HydrophobicContact CE-CE2 3.68Å; M215-F301 HydrophobicContact CG-CD2 3.67Å; M215-F301 HydrophobicContact CG-CE2 3.83Å; Y299-F301 HydrophobicContact CE1-CE2 4.14Å; Y299-F301 AromaticContact CE2-CE2 3.94Å; Y299-F301 HydrophobicContact CE2-CE2 3.94Å; Y299-F301 HydrophobicContact CE2-CZ 4.22Å; Y299-F301 AromaticContact CZ-CE2 3.5Å; Y299-F301 AromaticContact CZ-CZ 3.85Å; Y299-F301 VanDerWaalsContact OH-CE2 3.24Å; Y299-F301 WeakPolarHBondContact OH-CE2 3.06Å; Y299-F301 WeakPolarHBondContact OH-CZ 3.34Å; F301-I305 CarbonylContact C-O 3.36Å; F301-I305 WeakPolarHBondContact CA-O 3.43Å |
| 302 | L | 94.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 23.6 Ų | 23.6 | 9% | 0.089 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 103.2 | 165.1 | -168 | 86.2 | 0 | 0 | 0 | 108.2 | V212 K232 L235 D304 I305 F307 | V212-L302 HydrophobicContact CB-CD1 4.24Å; V212-L302 HydrophobicContact CG2-CD1 3.31Å; K232-L302 HydrophobicContact CG-CD1 4.23Å; K232-L302 HydrophobicContact CG-CD2 4.3Å; L235-L302 HydrophobicContact CD1-CD2 3.12Å; L235-L302 HydrophobicContact CD1-CG 4.48Å; L302-D304 PolarHBondContact O-N 3.17Å; L302-I305 PolarHBondContact N-O 3.4Å; L302-I305 PolarHBondContact O-N 2.9Å; L302-F307 HydrophobicContact CB-CD2 4.39Å; L302-F307 HydrophobicContact CB-CE2 3.95Å |
| 303 | G | 92.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -122.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | E211 | E211-G303 PolarHBondContact O-N 2.9Š|
| 304 | D | 91.2 | Very high | 93.4 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 46% | 0.46 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.6 | 178.4 | 67.1 | -43.8 | 0 | 0 | 0 | 113.8 | R284 L302 | R284-D304 WeakPolarHBondContact CA-O 3.43Å; R284-D304 IonicContact CZ-OD2 2.96Å; R284-D304 IonicContact NE-OD2 3.55Å; R284-D304 PolarHBondContact NE-OD2 3.43Å; R284-D304 IonicContact NH2-OD2 3.62Å; L302-D304 PolarHBondContact O-N 3.17Å |
| 305 | I | 93.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122 | -174.8 | -52.8 | 168.9 | 0 | 0 | 0 | 109.2 | F258 Y259 V282 F301 L302 F307 | F258-I305 HydrophobicContact CE1-CD1 4.08Å; Y259-I305 HydrophobicContact CD1-CG2 4.16Å; Y259-I305 HydrophobicContact CE1-CD1 3.86Å; Y259-I305 HydrophobicContact CE1-CG1 3.89Å; Y259-I305 HydrophobicContact CE1-CG2 3.84Å; V282-I305 HydrophobicContact CG1-CG2 3.57Å; F301-I305 CarbonylContact C-O 3.36Å; F301-I305 WeakPolarHBondContact CA-O 3.43Å; L302-I305 PolarHBondContact N-O 3.4Å; L302-I305 PolarHBondContact O-N 2.9Å; I305-F307 HydrophobicContact CB-CE2 3.86Å; I305-F307 HydrophobicContact CB-CZ 4.35Å; I305-F307 HydrophobicContact CG2-CD2 4.23Å; I305-F307 HydrophobicContact CG2-CE2 3.51Å; I305-F307 HydrophobicContact CG2-CZ 3.67Å |
| 306 | G | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V282 G283 F286 | V282-G306 WeakPolarHBondContact CA-O 3.36Å; G283-G306 PolarHBondContact N-O 3.01Å; G283-G306 VanDerWaalsContact N-O 3.14Å; G283-G306 WeakPolarHBondContact O-CA 3.46Å; G283-G306 PolarHBondContact O-N 2.82Å; F286-G306 WeakPolarHBondContact CE1-O 3.36Å |
| 307 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.1 | 176.3 | -66.9 | -94.3 | 0 | 0 | 0 | 108.5 | V231 L235 V262 V282 Y299 F300 L302 I305 | V231-F307 HydrophobicContact CG1-CD1 4.06Å; V231-F307 HydrophobicContact CG1-CD2 4.41Å; V231-F307 HydrophobicContact CG1-CE1 3.55Å; V231-F307 HydrophobicContact CG1-CE2 3.94Å; V231-F307 HydrophobicContact CG1-CG 4.48Å; V231-F307 HydrophobicContact CG1-CZ 3.49Å; V231-F307 VanDerWaalsContact CG1-CZ 3.49Å; V231-F307 HydrophobicContact CG2-CD1 4.23Å; V231-F307 HydrophobicContact CG2-CE1 4.29Å; L235-F307 HydrophobicContact CD1-CZ 4.2Å; V262-F307 HydrophobicContact CG1-CE1 3.83Å; V262-F307 HydrophobicContact CG1-CZ 4.43Å; V282-F307 HydrophobicContact CB-CD1 4.43Å; V282-F307 HydrophobicContact CB-CE1 4.4Å; V282-F307 HydrophobicContact CG1-CD1 4.03Å; V282-F307 HydrophobicContact CG1-CE1 3.64Å; V282-F307 HydrophobicContact CG1-CZ 4Å; V282-F307 HydrophobicContact CG2-CD1 3.63Å; V282-F307 HydrophobicContact CG2-CE1 3.79Å; Y299-F307 WeakPolarHBondContact CA-O 3.28Å; Y299-F307 WeakPolarHBondContact CD2-O 3.17Å; F300-F307 HydrophobicContact CD1-CB 4.31Å; F300-F307 HydrophobicContact CD2-CB 4.09Å; F300-F307 HydrophobicContact CD2-CD2 4.27Å; F300-F307 HydrophobicContact CD2-CG 4.47Å; F300-F307 HydrophobicContact CE1-CB 3.89Å; F300-F307 HydrophobicContact CE2-CB 3.65Å; F300-F307 AromaticContact CE2-CD2 3.84Å; F300-F307 HydrophobicContact CE2-CD2 3.84Å; F300-F307 AromaticContact CE2-CG 3.81Å; F300-F307 HydrophobicContact CE2-CG 3.81Å; F300-F307 HydrophobicContact CG-CB 4.4Å; F300-F307 HydrophobicContact CZ-CB 3.55Å; F300-F307 HydrophobicContact CZ-CD2 4.47Å; F300-F307 AromaticContact CZ-CG 3.98Å; F300-F307 HydrophobicContact CZ-CG 3.98Å; F300-F307 PolarHBondContact N-O 3.04Å; F300-F307 PolarHBondContact O-N 2.8Å; L302-F307 HydrophobicContact CB-CD2 4.39Å; L302-F307 HydrophobicContact CB-CE2 3.95Å; I305-F307 HydrophobicContact CB-CE2 3.86Å; I305-F307 HydrophobicContact CB-CZ 4.35Å; I305-F307 HydrophobicContact CG2-CD2 4.23Å; I305-F307 HydrophobicContact CG2-CE2 3.51Å; I305-F307 HydrophobicContact CG2-CZ 3.67Å |
| 308 | M | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.7 | 172.2 | -169.7 | 175.5 | 68.9 | 0 | 0 | 109.1 | F131 V280 I281 F286 V288 V290 F297 A298 Y299 F310 | F131-M308 HydrophobicContact CD2-SD 4.25Å; V280-M308 WeakPolarHBondContact CA-O 3.49Å; I281-M308 HydrophobicContact CB-CB 4.37Å; I281-M308 HydrophobicContact CB-CE 4.29Å; I281-M308 HydrophobicContact CD1-CE 3.61Å; I281-M308 HydrophobicContact CG1-CE 4.32Å; I281-M308 PolarHBondContact N-O 2.96Å; I281-M308 PolarHBondContact O-N 2.91Å; F286-M308 HydrophobicContact CE2-CB 3.7Å; F286-M308 HydrophobicContact CE2-CE 4.44Å; F286-M308 HydrophobicContact CE2-SD 4.27Å; F286-M308 HydrophobicContact CZ-CB 3.94Å; V288-M308 HydrophobicContact CB-CE 3.75Å; V288-M308 HydrophobicContact CG1-CE 4.16Å; V288-M308 HydrophobicContact CG2-CE 3.73Å; V290-M308 HydrophobicContact CG2-CE 3.95Å; F297-M308 HydrophobicContact CE2-CG 3.92Å; F297-M308 HydrophobicContact CE2-SD 4.07Å; F297-M308 HydrophobicContact CZ-CG 4.17Å; F297-M308 HydrophobicContact CZ-SD 4.3Å; A298-M308 WeakPolarHBondContact O-CA 3.32Å; Y299-M308 HydrophobicContact CD2-CB 4Å; Y299-M308 HydrophobicContact CD2-CG 4.35Å; M308-F310 HydrophobicContact CE-CD1 4.17Å; M308-F310 HydrophobicContact CE-CE1 3.84Å; M308-F310 HydrophobicContact CG-CD1 4.32Å |
| 309 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.2 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | I227 L266 L270 W278 Q279 V280 A298 | I227-V309 HydrophobicContact CD1-CG1 4.49Å; L266-V309 HydrophobicContact CD2-CG2 3.86Å; L270-V309 HydrophobicContact CD1-CG1 3.35Å; W278-V309 HydrophobicContact CE3-CG1 3.71Å; W278-V309 HydrophobicContact CZ3-CG1 3.9Å; Q279-V309 WeakPolarHBondContact O-CA 3.49Å; V280-V309 HydrophobicContact CG1-CG2 4.38Å; V280-V309 HydrophobicContact CG2-CG1 4.43Å; V280-V309 HydrophobicContact CG2-CG2 4.35Å; A298-V309 PolarHBondContact N-O 2.7Å; A298-V309 PolarHBondContact O-N 2.94Å |
| 310 | F | 96.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154 | 178.7 | 63.3 | -86.9 | 0 | 0 | 0 | 112 | Q279 I281 V290 S296 F297 M308 H312 | Q279-F310 HydrophobicContact CB-CD1 4.17Å; Q279-F310 HydrophobicContact CB-CD2 3.93Å; Q279-F310 HydrophobicContact CB-CE1 3.74Å; Q279-F310 HydrophobicContact CB-CE2 3.49Å; Q279-F310 VanDerWaalsContact CB-CE2 3.49Å; Q279-F310 HydrophobicContact CB-CG 4.26Å; Q279-F310 HydrophobicContact CB-CZ 3.39Å; Q279-F310 HydrophobicContact CG-CD2 4.34Å; Q279-F310 HydrophobicContact CG-CE2 3.71Å; Q279-F310 HydrophobicContact CG-CZ 3.95Å; Q279-F310 PolarHBondContact N-O 3.22Å; Q279-F310 PolarHBondContact O-N 3.27Å; I281-F310 HydrophobicContact CD1-CE1 4.05Å; I281-F310 HydrophobicContact CG1-CE1 4.41Å; V290-F310 HydrophobicContact CG1-CD1 4.17Å; V290-F310 HydrophobicContact CG1-CD2 3.43Å; V290-F310 VanDerWaalsContact CG1-CD2 3.43Å; V290-F310 HydrophobicContact CG1-CE1 4.07Å; V290-F310 HydrophobicContact CG1-CE2 3.29Å; V290-F310 HydrophobicContact CG1-CG 3.87Å; V290-F310 HydrophobicContact CG1-CZ 3.63Å; V290-F310 HydrophobicContact CG2-CE1 4.15Å; V290-F310 HydrophobicContact CG2-CZ 4.11Å; S296-F310 VanDerWaalsContact O-CA 3.25Å; S296-F310 WeakPolarHBondContact O-CA 3.45Å; F297-F310 HydrophobicContact CD2-CB 3.86Å; M308-F310 HydrophobicContact CE-CD1 4.17Å; M308-F310 HydrophobicContact CE-CE1 3.84Å; M308-F310 HydrophobicContact CG-CD1 4.32Å; F310-H312 AromaticContact CE2-CE1 3.79Å; F310-H312 AromaticContact CE2-NE2 3.61Å |
| 311 | R | 94.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.2 | 169.4 | -166.4 | 172 | 69.2 | -170.1 | -0.4 | 110.3 | D274 S275 W278 Y292 D293 S296 | D274-R311 IonicContact OD1-NH1 2.73Å; D274-R311 IonicContact OD2-NH1 2.8Å; D274-R311 PolarHBondContact OD2-NH1 2.98Å; S275-R311 WeakPolarHBondContact O-CD 3.37Å; W278-R311 HydrophobicContact CD2-CB 4.43Å; W278-R311 HydrophobicContact CE3-CB 4.3Å; W278-R311 HydrophobicContact CH2-CB 4.48Å; W278-R311 HydrophobicContact CZ3-CB 4.34Å; Y292-R311 WeakPolarHBondContact CA-O 3.19Å; Y292-R311 WeakPolarHBondContact CB-O 3.18Å; D293-R311 PolarHBondContact N-O 3.39Å; D293-R311 IonicContact OD2-CZ 2.9Å; D293-R311 IonicContact OD2-NE 3.68Å; D293-R311 IonicContact OD2-NH2 3.02Å; D293-R311 PolarHBondContact OD2-NH2 3.41Å; S296-R311 PolarHBondContact O-N 2.74Å; S296-R311 WeakPolarHBondContact OG-CB 3.09Å; S296-R311 PolarHBondContact OG-N 3.05Å |
| 312 | H | 88.2 | Confident | 92.2 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 35% | 0.347 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -74.7 | 142.9 | 171.3 | -87.3 | -62.5 | 0 | 0 | 0 | 110.6 | Q279 F310 | Q279-H312 VanDerWaalsContact CG-CD2 3.45Å; Q279-H312 WeakPolarHBondContact CG-CD2 3.41Å; F310-H312 AromaticContact CE2-CE1 3.79Å; F310-H312 AromaticContact CE2-NE2 3.61Å |
| 313 | F | 83.8 | Confident | 92 | Very high | 108 Ų | 108 | 48.7 Ų | 48.7 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 133.1 | 167.9 | -173 | -99.2 | 0 | 0 | 0 | 109.3 | ||
| 314 | R | 76.4 | Confident | 92 | Very high | 214 Ų | 214 | 50.7 Ų | 50.7 | 81% | 0.808 | 22% | 0.218 | S | C | * | . | trans | -90.4 | 0 | 172.4 | -84.4 | -172.8 | 172.6 | 148.8 | -5 | 110.8 | P276 | P276-R314 PolarHBondContact O-NH1 2.9Å; P276-R314 PolarHBondContact O-NH2 2.85Å |
Retrieved 314 of 314 residues in 149.5 ms
(Link to these results)