| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38 | Very low | 40.7 | Very low | 235 Ų | 235 | 163.5 Ų | 163.5 | 100% | 1.158 | 83% | 0.826 | S | S | * | * | 0 | 105.2 | 0 | -90.4 | 171.5 | -87 | 0 | 0 | 106.7 | |||||
| 2 | E | 37.2 | Very low | 40.9 | Very low | 195 Ų | 195 | 165.3 Ų | 165.3 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | 56.6 | 117.3 | 149.1 | -59.5 | -177.7 | 141.7 | 0 | 0 | 121.8 | ||||
| 3 | E | 36.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 165.4 Ų | 165.4 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -32.5 | 177.3 | 150.9 | -91.7 | -165.5 | 102.6 | 0 | 0 | 118.9 | ||||
| 4 | P | 60 | Low | 41.7 | Very low | 87 Ų | 87 | 165.9 Ų | 165.9 | 57% | 0.565 | 84% | 0.843 | S | S | * | * | cis | -144.6 | -174.3 | -43.4 | 41.3 | -22.1 | 0 | 0 | 0 | 114.2 | ||||
| 5 | Q | 35.1 | Very low | 41.9 | Very low | 190 Ų | 190 | 167.6 Ų | 167.6 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | trans | 90.3 | 121.4 | 143.7 | -86.4 | 175.1 | -19.1 | 0 | 0 | 122.3 | ||||
| 6 | K | 46.5 | Very low | 42.2 | Very low | 198 Ų | 198 | 170.2 Ų | 170.2 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -97.8 | 129.3 | 173.4 | 176.4 | -172.5 | -173 | -177.2 | 0 | 108.4 | ||||
| 7 | S | 36.2 | Very low | 42.7 | Very low | 117 Ų | 117 | 169.4 Ų | 169.4 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -162.3 | 96.6 | 155.5 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 8 | Y | 37.8 | Very low | 43.6 | Very low | 222 Ų | 222 | 167.6 Ų | 167.6 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | trans | 11.8 | 124.3 | 135.3 | -128.8 | -130.1 | 0 | 0 | 0 | 121.8 | ||||
| 9 | V | 40.7 | Very low | 44.2 | Very low | 92 Ų | 92 | 164.8 Ų | 164.8 | 56% | 0.558 | 83% | 0.827 | S | S | * | * | trans | 90.5 | 120.2 | 135.4 | -147.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 10 | N | 42.2 | Very low | 44.7 | Very low | 145 Ų | 145 | 165.4 Ų | 165.4 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | 32.1 | 136.8 | 145.3 | -52.2 | -16.9 | 0 | 0 | 0 | 123.7 | ||||
| 11 | T | 38.4 | Very low | 45.3 | Very low | 137 Ų | 137 | 166.8 Ų | 166.8 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -149.2 | 99.4 | 150.6 | 46.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 12 | M | 42.8 | Very low | 46.3 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | 53.4 | 122.3 | 86.4 | -94.3 | -178.1 | 163.9 | 0 | 0 | 114.6 | |||||
| 13 | D | 43 | Very low | 47.5 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -67.6 | 159.3 | -164.4 | -65.7 | -68 | 0 | 0 | 0 | 115.6 | ||||
| 14 | L | 49.5 | Very low | 49 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 111.1 | -174.4 | -64.2 | 155.5 | 0 | 0 | 0 | 113.1 | ||||
| 15 | E | 45.4 | Very low | 49.5 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -141.4 | 98.4 | 152.4 | -84.7 | -180 | 157.3 | 0 | 0 | 108.6 | ||||
| 16 | R | 46.9 | Very low | 51.7 | Low | 209 Ų | 209 | 150.6 Ų | 150.6 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | trans | -97.4 | 97.1 | 172 | -170.2 | 175.6 | 71.7 | -135.3 | -4.2 | 107.3 | E18 | R16-E18 IonicContact NE-OE1 3.6Å; R16-E18 PolarHBondContact NE-OE1 3.18Å; R16-E18 IonicContact NH2-OE1 3.9Å; R16-E18 PolarHBondContact O-N 3.38Å | ||
| 17 | D | 50.3 | Low | 53.7 | Low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -62 | 99.8 | 167.7 | -82.8 | -33.6 | 0 | 0 | 0 | 109.4 | ||||
| 18 | E | 58 | Low | 56.4 | Low | 136 Ų | 136 | 141.7 Ų | 141.7 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -70.1 | 120.4 | 162.3 | -74.8 | -75 | 145 | 0 | 0 | 107.9 | R16 L20 | R16-E18 IonicContact NE-OE1 3.6Å; R16-E18 PolarHBondContact NE-OE1 3.18Å; R16-E18 IonicContact NH2-OE1 3.9Å; R16-E18 PolarHBondContact O-N 3.38Å; E18-L20 PolarHBondContact O-N 3.01Å | ||
| 19 | P | 56.7 | Low | 58.9 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -65.8 | 122.8 | -179.4 | 24.6 | -29.9 | 0 | 0 | 0 | 109.7 | K21 | P19-K21 PolarHBondContact O-N 3Š| ||
| 20 | L | 54.1 | Low | 61.3 | Low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | trans | -47.8 | 111.1 | 174.9 | -123.9 | 88.2 | 0 | 0 | 0 | 109.7 | E18 S22 | E18-L20 PolarHBondContact O-N 3.01Å; L20-S22 PolarHBondContact O-N 3.03Å | ||
| 21 | K | 55.8 | Low | 63.8 | Low | 195 Ų | 195 | 132.1 Ų | 132.1 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | -66.4 | 101.8 | 176.7 | -156.7 | 172.4 | -171 | -179.8 | 0 | 107.9 | P19 T23 | P19-K21 PolarHBondContact O-N 3Å; K21-T23 PolarHBondContact O-N 2.96Å | ||
| 22 | S | 60.2 | Low | 66.6 | Low | 86 Ų | 86 | 127.3 Ų | 127.3 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | trans | -64.1 | 108.6 | -178 | 70.2 | 0 | 0 | 0 | 0 | 110 | L20 G24 | L20-S22 PolarHBondContact O-N 3.03Å; S22-G24 PolarHBondContact O-N 3.12Å; S22-G24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | T | 61.4 | Low | 69.2 | Low | 140 Ų | 140 | 120.6 Ų | 120.6 | 86% | 0.859 | 65% | 0.646 | S | S | * | * | trans | -84.2 | 42 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | K21 | K21-T23 PolarHBondContact O-N 2.96Š| ||
| 24 | G | 67.6 | Low | 71.8 | Confident | 40 Ų | 40 | 112.7 Ų | 112.7 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -77.8 | 156.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | S22 Q26 | S22-G24 PolarHBondContact O-N 3.12Å; S22-G24 VanDerWaalsContact O-N 3.12Å; G24-Q26 PolarHBondContact O-N 3.39Å |
| 25 | P | 70.3 | Confident | 74 | Confident | 132 Ų | 132 | 109.2 Ų | 109.2 | 86% | 0.857 | 58% | 0.583 | S | S | * | * | trans | -53.6 | 115.4 | 167.4 | -20.2 | 31.2 | 0 | 0 | 0 | 109 | I27 | P25-I27 PolarHBondContact O-N 3.03Š| ||
| 26 | Q | 82.3 | Confident | 76.5 | Confident | 150 Ų | 150 | 102.5 Ų | 102.5 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | trans | -81.4 | 111.5 | 177.5 | -62.7 | -72.4 | 33.1 | 0 | 0 | 107.7 | G24 S28 | G24-Q26 PolarHBondContact O-N 3.39Å; Q26-S28 PolarHBondContact O-N 3.37Å | ||
| 27 | I | 88.3 | Confident | 78.9 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 42% | 0.415 | 53% | 0.531 | S | S | . | . | trans | -64.8 | 126.4 | 177.4 | -58.1 | 174.1 | 0 | 0 | 0 | 108.6 | P25 F32 L94 F95 | P25-I27 PolarHBondContact O-N 3.03Å; I27-F32 HydrophobicContact CG2-CD2 4.41Å; I27-F32 HydrophobicContact CG2-CE2 3.53Å; I27-F32 HydrophobicContact CG2-CZ 4.25Å; I27-L94 HydrophobicContact CD1-CD1 4.41Å; I27-F95 HydrophobicContact CG2-CE2 4.42Å; I27-F95 HydrophobicContact CG2-CZ 4.11Å; I27-F95 WeakPolarHBondContact O-CZ 3.38Å | ||
| 28 | S | 91.9 | Very high | 81.1 | Confident | 46 Ų | 46 | 96 Ų | 96 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | trans | -97.4 | 153.8 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | Q26 S30 E31 | Q26-S28 PolarHBondContact O-N 3.37Å; S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 2.91Å; S28-E31 PolarHBondContact N-OE1 3.35Å; S28-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 3.28Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 PolarHBondContact OG-OE1 3.38Å | ||
| 29 | V | 91.2 | Very high | 83 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -55.7 | -35.9 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | E31 F32 I40 F95 | V29-E31 PolarHBondContact O-N 2.95Å; V29-F32 PolarHBondContact O-N 3.04Å; V29-I40 HydrophobicContact CG1-CB 4.05Å; V29-I40 HydrophobicContact CG1-CD1 4Å; V29-I40 HydrophobicContact CG1-CG1 4.21Å; V29-F95 HydrophobicContact CB-CE1 4.49Å; V29-F95 HydrophobicContact CG2-CD1 3.37Å; V29-F95 HydrophobicContact CG2-CE1 3.61Å; V29-F95 HydrophobicContact CG2-CG 3.91Å; V29-F95 HydrophobicContact CG2-CZ 4.34Å |
| 30 | S | 92.1 | Very high | 84.9 | Confident | 80 Ų | 80 | 86.9 Ų | 86.9 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -62.5 | -24.5 | -179.2 | 41 | 0 | 0 | 0 | 0 | 114 | S28 F32 S33 | S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 2.91Å; S30-F32 PolarHBondContact O-N 3.32Å; S30-S33 WeakPolarHBondContact O-CB 3.47Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 PolarHBondContact O-OG 2.85Å |
| 31 | E | 93.8 | Very high | 87 | Confident | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.7 | 175.9 | -68.4 | 173.1 | -127.8 | 0 | 0 | 112.5 | S28 V29 | S28-E31 PolarHBondContact N-OE1 3.35Å; S28-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 3.28Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 PolarHBondContact OG-OE1 3.38Å; V29-E31 PolarHBondContact O-N 2.95Å |
| 32 | F | 96.7 | Very high | 89.1 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -111.5 | 29.2 | 177.3 | -59.6 | -74.3 | 0 | 0 | 0 | 112.4 | I27 V29 S30 I40 L41 L87 I91 L94 F95 | I27-F32 HydrophobicContact CG2-CD2 4.41Å; I27-F32 HydrophobicContact CG2-CE2 3.53Å; I27-F32 HydrophobicContact CG2-CZ 4.25Å; V29-F32 PolarHBondContact O-N 3.04Å; S30-F32 PolarHBondContact O-N 3.32Å; F32-I40 HydrophobicContact CB-CG1 4.49Å; F32-L41 WeakPolarHBondContact O-CB 3.39Å; F32-L41 VanDerWaalsContact O-CG 3.25Å; F32-L41 WeakPolarHBondContact O-CG 3.28Å; F32-L41 PolarHBondContact O-N 2.88Å; F32-L87 HydrophobicContact CD1-CD1 3.97Å; F32-L87 HydrophobicContact CE1-CD1 3.86Å; F32-I91 HydrophobicContact CB-CD1 3.97Å; F32-I91 HydrophobicContact CB-CG1 3.98Å; F32-I91 HydrophobicContact CD1-CD1 3.8Å; F32-I91 HydrophobicContact CD1-CG1 3.55Å; F32-I91 HydrophobicContact CD2-CG1 4.35Å; F32-I91 HydrophobicContact CE1-CG1 4.06Å; F32-I91 HydrophobicContact CG-CD1 4.09Å; F32-I91 HydrophobicContact CG-CG1 3.7Å; F32-L94 HydrophobicContact CE2-CD1 3.95Å; F32-L94 HydrophobicContact CZ-CD1 4.08Å; F32-F95 HydrophobicContact CD2-CD2 4.16Å; F32-F95 AromaticContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CE2 3.48Å; F32-F95 VanDerWaalsContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CZ 4.4Å; F32-F95 AromaticContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CZ 4.45Å |
| 33 | S | 97.4 | Very high | 90.9 | Very high | 43 Ų | 43 | 68.1 Ų | 68.1 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 141.6 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | S30 D39 | S30-S33 WeakPolarHBondContact O-CB 3.47Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 PolarHBondContact O-OG 2.85Å; S33-D39 CarbonylContact C-O 3.54Å; S33-D39 WeakPolarHBondContact CA-O 3.39Å |
| 34 | C | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -82.3 | 127.9 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | C36 C37 Y38 D39 L41 C54 | C34-C36 PolarHBondContact O-N 2.88Å; C34-C36 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact O-N 3.27Å; C34-Y38 WeakPolarHBondContact O-CA 3.39Å; C34-Y38 PolarHBondContact O-N 3.23Å; C34-D39 WeakPolarHBondContact CB-O 3.43Å; C34-D39 PolarHBondContact N-O 3.47Å; C34-L41 HydrophobicContact CB-CD2 3.72Å; C34-L41 HydrophobicContact CB-CG 4.23Å; C34-C54 VanDerWaalsContact CB-SG 3.53Å; C34-C54 PolarHBondContact SG-N 3.07Å; C34-C54 VanDerWaalsContact SG-N 3.38Å | ||
| 35 | H | 96.2 | Very high | 94.1 | Very high | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.4 | -179.5 | -68.8 | 76.3 | 0 | 0 | 0 | 114.1 | F53 E72 | H35-F53 HydrophobicContact CB-CE1 4.2Å; H35-E72 WeakPolarHBondContact CB-OE2 3.36Å; H35-E72 IonicContact CG-OE2 2.88Å |
| 36 | C | 97.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -41.3 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | C34 F53 C57 | C34-C36 PolarHBondContact O-N 2.88Å; C34-C36 VanDerWaalsContact O-N 3.15Å; C36-F53 HydrophobicContact CB-CD1 4.45Å; C36-F53 WeakPolarHBondContact SG-CD1 3.19Å; C36-C57 HydrophobicContact CB-CB 3.62Å |
| 37 | C | 96.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -1.5 | -174.7 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | C34 D39 R102 | C34-C37 PolarHBondContact O-N 3.27Å; C37-D39 PolarHBondContact O-N 3.21Å; C37-R102 PolarHBondContact SG-NH2 3.13Å |
| 38 | Y | 96.7 | Very high | 96.6 | Very high | 193 Ų | 193 | 48.6 Ų | 48.6 | 76% | 0.757 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 55.8 | 27.7 | 178.2 | -54.3 | -77.2 | 0 | 0 | 0 | 114.6 | C34 | C34-Y38 WeakPolarHBondContact O-CA 3.39Å; C34-Y38 PolarHBondContact O-N 3.23Å |
| 39 | D | 97.5 | Very high | 96.9 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -130.3 | 169.2 | 179.9 | -152.2 | -28.3 | 0 | 0 | 0 | 110 | S33 C34 C37 L41 R102 | S33-D39 CarbonylContact C-O 3.54Å; S33-D39 WeakPolarHBondContact CA-O 3.39Å; C34-D39 WeakPolarHBondContact CB-O 3.43Å; C34-D39 PolarHBondContact N-O 3.47Å; C37-D39 PolarHBondContact O-N 3.21Å; D39-L41 PolarHBondContact O-N 2.76Å; D39-R102 WeakPolarHBondContact OD2-CD 3.36Å; D39-R102 IonicContact OD2-CZ 3.19Å; D39-R102 IonicContact OD2-NE 2.9Å; D39-R102 PolarHBondContact OD2-NE 3.23Å; D39-R102 IonicContact OD2-NH1 2.8Å; D39-R102 PolarHBondContact OD2-NH1 3.18Å; D39-R102 IonicContact OD2-NH2 3.72Å; D39-R102 PolarHBondContact OD2-NH2 3.37Å |
| 40 | I | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -52.9 | 136.6 | -177.8 | -164.1 | 173.6 | 0 | 0 | 0 | 111.9 | V29 F32 V42 I91 F95 A98 I99 R102 | V29-I40 HydrophobicContact CG1-CB 4.05Å; V29-I40 HydrophobicContact CG1-CD1 4Å; V29-I40 HydrophobicContact CG1-CG1 4.21Å; F32-I40 HydrophobicContact CB-CG1 4.49Å; I40-V42 PolarHBondContact O-N 2.81Å; I40-I91 HydrophobicContact CD1-CG2 3.7Å; I40-I91 HydrophobicContact CG1-CG2 3.84Å; I40-F95 HydrophobicContact CD1-CB 3.71Å; I40-F95 HydrophobicContact CD1-CD2 4.2Å; I40-F95 HydrophobicContact CD1-CG 4.18Å; I40-A98 HydrophobicContact CD1-CB 3.93Å; I40-I99 HydrophobicContact CD1-CD1 3.78Å; I40-I99 HydrophobicContact CD1-CG1 3.87Å; I40-I99 HydrophobicContact CG1-CD1 3.91Å; I40-I99 HydrophobicContact CG2-CD1 4.03Å; I40-R102 HydrophobicContact CG2-CB 3.99Å; I40-R102 HydrophobicContact CG2-CG 4.03Å |
| 41 | L | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -64.4 | 116.2 | -177.9 | -80 | 163.7 | 0 | 0 | 0 | 111.5 | F32 C34 D39 P44 I91 I99 | F32-L41 WeakPolarHBondContact O-CB 3.39Å; F32-L41 VanDerWaalsContact O-CG 3.25Å; F32-L41 WeakPolarHBondContact O-CG 3.28Å; F32-L41 PolarHBondContact O-N 2.88Å; C34-L41 HydrophobicContact CB-CD2 3.72Å; C34-L41 HydrophobicContact CB-CG 4.23Å; D39-L41 PolarHBondContact O-N 2.76Å; L41-P44 HydrophobicContact CB-CB 4.18Å; L41-P44 HydrophobicContact CD1-CB 4.34Å; L41-P44 HydrophobicContact CD2-CB 4.34Å; L41-I91 HydrophobicContact CB-CD1 3.83Å; L41-I91 HydrophobicContact CD1-CD1 4.33Å; L41-I99 WeakPolarHBondContact O-CD1 3.47Å | ||
| 42 | V | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -104.7 | 122.8 | 171.7 | 174.3 | 0 | 0 | 0 | 0 | 110 | I40 C54 R55 I99 R102 F103 I106 | I40-V42 PolarHBondContact O-N 2.81Å; V42-C54 PolarHBondContact N-SG 3.46Å; V42-C54 VanDerWaalsContact N-SG 3.36Å; V42-C54 WeakPolarHBondContact O-CA 3.39Å; V42-C54 WeakPolarHBondContact O-CB 3.25Å; V42-R55 PolarHBondContact O-N 3.38Å; V42-I99 HydrophobicContact CG2-CD1 4.08Å; V42-R102 HydrophobicContact CG2-CB 3.94Å; V42-R102 HydrophobicContact CG2-CG 3.51Å; V42-F103 HydrophobicContact CG1-CD1 3.63Å; V42-F103 HydrophobicContact CG1-CD2 4.36Å; V42-F103 HydrophobicContact CG1-CE1 3.24Å; V42-F103 HydrophobicContact CG1-CE2 4.03Å; V42-F103 HydrophobicContact CG1-CG 4.18Å; V42-F103 HydrophobicContact CG1-CZ 3.47Å; V42-F103 VanDerWaalsContact CG1-CZ 3.47Å; V42-I106 HydrophobicContact CB-CD1 3.7Å; V42-I106 HydrophobicContact CG1-CD1 3.72Å; V42-I106 HydrophobicContact CG2-CD1 3.76Å |
| 43 | N | 98.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 48.5 | 61.6 | -171.7 | -70.7 | -56.2 | 0 | 0 | 0 | 111.6 | T45 R55 V83 R88 | N43-T45 PolarHBondContact O-N 3.05Å; N43-T45 PolarHBondContact O-OG1 3.16Å; N43-R55 HydrophobicContact CB-CB 3.88Å; N43-R55 WeakPolarHBondContact O-CB 3.45Å; N43-R55 PolarHBondContact O-N 3.02Å; N43-R55 VanDerWaalsContact O-N 3.15Å; N43-V83 HydrophobicContact CB-CG1 4.26Å; N43-V83 HydrophobicContact CB-CG2 4.15Å; N43-R88 WeakPolarHBondContact OD1-CD 3.48Å |
| 44 | P | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 126.1 | -176.4 | 22.7 | -35 | 0 | 0 | 0 | 111.2 | L41 F53 V83 S84 L87 R88 I91 | L41-P44 HydrophobicContact CB-CB 4.18Å; L41-P44 HydrophobicContact CD1-CB 4.34Å; L41-P44 HydrophobicContact CD2-CB 4.34Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.43Å; P44-V83 CarbonylContact O-C 3.57Å; P44-V83 WeakPolarHBondContact O-CA 3.24Å; P44-V83 WeakPolarHBondContact O-CG1 3.45Å; P44-S84 PolarHBondContact O-N 3.35Å; P44-L87 HydrophobicContact CB-CB 4.49Å; P44-L87 HydrophobicContact CB-CD2 3.72Å; P44-L87 HydrophobicContact CB-CG 4.01Å; P44-L87 HydrophobicContact CG-CB 3.96Å; P44-L87 HydrophobicContact CG-CD2 4.06Å; P44-L87 HydrophobicContact CG-CG 3.78Å; P44-R88 HydrophobicContact CG-CB 4Å; P44-I91 HydrophobicContact CG-CD1 4.25Å |
| 45 | T | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110.1 | 178.8 | -61.5 | 0 | 0 | 0 | 0 | 107.6 | N43 S52 F53 R55 L58 P81 | N43-T45 PolarHBondContact O-N 3.05Å; N43-T45 PolarHBondContact O-OG1 3.16Å; T45-S52 WeakPolarHBondContact O-CA 3.38Å; T45-F53 PolarHBondContact N-O 3.37Å; T45-F53 PolarHBondContact O-N 3.19Å; T45-F53 VanDerWaalsContact O-N 3.12Å; T45-R55 WeakPolarHBondContact OG1-CD 3.46Å; T45-L58 HydrophobicContact CG2-CD2 3.66Å; T45-P81 HydrophobicContact CG2-CB 3.66Å; T45-P81 HydrophobicContact CG2-CG 4.2Å |
| 46 | T | 97.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 31% | 0.307 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.4 | -178.1 | -51 | 0 | 0 | 0 | 0 | 109.3 | H51 S52 | T46-H51 WeakPolarHBondContact CA-O 3.47Å; T46-S52 WeakPolarHBondContact CB-OG 3.47Å; T46-S52 WeakPolarHBondContact CG2-OG 3.4Å; T46-S52 PolarHBondContact OG1-OG 3.07Å |
| 47 | L | 98 | Very high | 98 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | trans | -83.4 | 164.8 | 177 | -55.8 | -178.4 | 0 | 0 | 0 | 110.7 | C49 G50 H51 F53 L58 C70 W77 P81 | L47-C49 PolarHBondContact O-N 2.91Å; L47-G50 PolarHBondContact O-N 2.85Å; L47-H51 PolarHBondContact N-O 3.03Å; L47-F53 HydrophobicContact CD1-CD2 4.29Å; L47-F53 HydrophobicContact CD1-CE2 3.91Å; L47-F53 HydrophobicContact CG-CE2 4.46Å; L47-L58 HydrophobicContact CD1-CD1 4.48Å; L47-L58 HydrophobicContact CD2-CD1 4.4Å; L47-L58 HydrophobicContact CD2-CD2 3.91Å; L47-C70 HydrophobicContact CD1-CB 3.74Å; L47-W77 HydrophobicContact CD1-CE3 3.72Å; L47-W77 HydrophobicContact CD1-CZ3 4.35Å; L47-W77 HydrophobicContact CD2-CB 4.05Å; L47-W77 HydrophobicContact CD2-CD2 4.11Å; L47-W77 HydrophobicContact CD2-CE3 3.9Å; L47-W77 HydrophobicContact CD2-CG 4.21Å; L47-W77 HydrophobicContact CG-CE3 4.47Å; L47-P81 HydrophobicContact CD2-CB 3.67Å; L47-P81 HydrophobicContact CD2-CG 4.07Å | ||
| 48 | N | 97.5 | Very high | 98 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 40% | 0.401 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.1 | 172.8 | 59.2 | -44.7 | 0 | 0 | 0 | 113.1 | G50 K76 W77 | N48-G50 PolarHBondContact O-N 3.29Å; N48-K76 PolarHBondContact ND2-O 3.5Å; N48-K76 VanDerWaalsContact ND2-O 3.13Å; N48-W77 WeakPolarHBondContact OD1-CA 3.29Å; N48-W77 WeakPolarHBondContact OD1-CB 3.26Å |
| 49 | C | 97.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.2 | 174.9 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | L47 H51 C70 E75 | L47-C49 PolarHBondContact O-N 2.91Å; C49-H51 VanDerWaalsContact C-N 3.35Å; C49-H51 PolarHBondContact O-N 3.48Å; C49-H51 PolarHBondContact SG-ND1 3.44Å; C49-C70 VanDerWaalsContact SG-SG 3.69Å; C49-E75 HydrophobicContact CB-CB 4.01Å; C49-E75 HydrophobicContact CB-CG 4.22Å; C49-E75 WeakPolarHBondContact CB-OE2 3.48Å |
| 50 | G | 97.1 | Very high | 98.1 | Very high | 51 Ų | 51 | 23.4 Ų | 23.4 | 53% | 0.526 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 87.9 | -15.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L47 N48 | L47-G50 PolarHBondContact O-N 2.85Å; N48-G50 PolarHBondContact O-N 3.29Å |
| 51 | H | 98.2 | Very high | 98.1 | Very high | 65 Ų | 65 | 26.2 Ų | 26.2 | 30% | 0.301 | 15% | 0.149 | S | C | . | . | trans | -70.5 | 139.5 | 176.8 | -65.4 | 101.9 | 0 | 0 | 0 | 111.8 | T46 L47 C49 F53 | T46-H51 WeakPolarHBondContact CA-O 3.47Å; L47-H51 PolarHBondContact N-O 3.03Å; C49-H51 VanDerWaalsContact C-N 3.35Å; C49-H51 PolarHBondContact O-N 3.48Å; C49-H51 PolarHBondContact SG-ND1 3.44Å; H51-F53 HydrophobicContact CB-CE2 3.57Å; H51-F53 HydrophobicContact CB-CZ 3.74Å | ||
| 52 | S | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 27.3 Ų | 27.3 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.9 | -178.5 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | T45 T46 | T45-S52 WeakPolarHBondContact O-CA 3.38Å; T46-S52 WeakPolarHBondContact CB-OG 3.47Å; T46-S52 WeakPolarHBondContact CG2-OG 3.4Å; T46-S52 PolarHBondContact OG1-OG 3.07Å |
| 53 | F | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160.7 | -179.8 | -53.2 | -84.6 | 0 | 0 | 0 | 110.5 | H35 C36 P44 T45 L47 H51 P71 E72 | H35-F53 HydrophobicContact CB-CE1 4.2Å; C36-F53 HydrophobicContact CB-CD1 4.45Å; C36-F53 WeakPolarHBondContact SG-CD1 3.19Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.43Å; T45-F53 PolarHBondContact N-O 3.37Å; T45-F53 PolarHBondContact O-N 3.19Å; T45-F53 VanDerWaalsContact O-N 3.12Å; L47-F53 HydrophobicContact CD1-CD2 4.29Å; L47-F53 HydrophobicContact CD1-CE2 3.91Å; L47-F53 HydrophobicContact CG-CE2 4.46Å; H51-F53 HydrophobicContact CB-CE2 3.57Å; H51-F53 HydrophobicContact CB-CZ 3.74Å; F53-P71 HydrophobicContact CD1-CG 4.38Å; F53-P71 HydrophobicContact CD2-CG 4.41Å; F53-P71 HydrophobicContact CE1-CB 4.06Å; F53-P71 HydrophobicContact CE1-CG 4.12Å; F53-P71 HydrophobicContact CE2-CG 4.18Å; F53-P71 HydrophobicContact CZ-CB 4.11Å; F53-P71 HydrophobicContact CZ-CG 4.02Å; F53-E72 HydrophobicContact CE1-CB 4.46Å; F53-E72 HydrophobicContact CZ-CB 3.93Å |
| 54 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 143.4 | 167.7 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | C34 V42 H56 C57 L58 | C34-C54 VanDerWaalsContact CB-SG 3.53Å; C34-C54 PolarHBondContact SG-N 3.07Å; C34-C54 VanDerWaalsContact SG-N 3.38Å; V42-C54 PolarHBondContact N-SG 3.46Å; V42-C54 VanDerWaalsContact N-SG 3.36Å; V42-C54 WeakPolarHBondContact O-CA 3.39Å; V42-C54 WeakPolarHBondContact O-CB 3.25Å; C54-H56 WeakPolarHBondContact CB-CE1 3.28Å; C54-H56 WeakPolarHBondContact CB-ND1 3.41Å; C54-H56 PolarHBondContact O-N 3.04Å; C54-H56 VanDerWaalsContact O-N 3.17Å; C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 WeakPolarHBondContact O-CB 3.17Å; C54-C57 PolarHBondContact O-N 3.1Å; C54-L58 PolarHBondContact O-N 2.77Å; C54-L58 VanDerWaalsContact O-N 3.08Å |
| 55 | R | 98.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.4 | -37.6 | 177.3 | -175.7 | 58.3 | 173.5 | -97.1 | -7.9 | 112.5 | V42 N43 T45 A59 L116 | V42-R55 PolarHBondContact O-N 3.38Å; N43-R55 HydrophobicContact CB-CB 3.88Å; N43-R55 WeakPolarHBondContact O-CB 3.45Å; N43-R55 PolarHBondContact O-N 3.02Å; N43-R55 VanDerWaalsContact O-N 3.15Å; T45-R55 WeakPolarHBondContact OG1-CD 3.46Å; R55-A59 PolarHBondContact O-N 3.4Å; R55-A59 VanDerWaalsContact O-N 3.1Å; R55-L116 HydrophobicContact CB-CD2 4.34Å; R55-L116 HydrophobicContact CG-CD2 3.8Å |
| 56 | H | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.5 | -37.3 | 177.5 | 63.5 | -92.5 | 0 | 0 | 0 | 113.2 | C54 L58 A59 L60 I106 I112 L116 | C54-H56 WeakPolarHBondContact CB-CE1 3.28Å; C54-H56 WeakPolarHBondContact CB-ND1 3.41Å; C54-H56 PolarHBondContact O-N 3.04Å; C54-H56 VanDerWaalsContact O-N 3.17Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 3.22Å; H56-A59 WeakPolarHBondContact O-CB 3.47Å; H56-A59 PolarHBondContact O-N 3.18Å; H56-L60 WeakPolarHBondContact O-CG 3.43Å; H56-L60 PolarHBondContact O-N 2.75Å; H56-I106 WeakPolarHBondContact CE1-CD1 3.2Å; H56-I112 HydrophobicContact CB-CG2 3.53Å; H56-L116 HydrophobicContact CB-CD1 3.93Å; H56-L116 HydrophobicContact CB-CD2 3.95Å; H56-L116 HydrophobicContact CB-CG 3.88Å |
| 57 | C | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 111.1 | C36 C54 A59 L60 W61 | C36-C57 HydrophobicContact CB-CB 3.62Å; C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 WeakPolarHBondContact O-CB 3.17Å; C54-C57 PolarHBondContact O-N 3.1Å; C57-A59 VanDerWaalsContact C-N 3.35Å; C57-L60 PolarHBondContact O-N 2.83Å; C57-W61 WeakPolarHBondContact O-CB 3.4Å; C57-W61 PolarHBondContact O-N 3.47Å |
| 58 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 176.1 | -164.5 | 65.3 | 0 | 0 | 0 | 111.8 | T45 L47 C54 H56 W61 W62 P71 W77 P81 F119 | T45-L58 HydrophobicContact CG2-CD2 3.66Å; L47-L58 HydrophobicContact CD1-CD1 4.48Å; L47-L58 HydrophobicContact CD2-CD1 4.4Å; L47-L58 HydrophobicContact CD2-CD2 3.91Å; C54-L58 PolarHBondContact O-N 2.77Å; C54-L58 VanDerWaalsContact O-N 3.08Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 3.22Å; L58-W61 PolarHBondContact O-N 2.99Å; L58-W62 WeakPolarHBondContact O-CB 3.44Å; L58-W62 PolarHBondContact O-N 3.49Å; L58-P71 HydrophobicContact CD1-CG 4.28Å; L58-W77 HydrophobicContact CD1-CE3 4.17Å; L58-W77 HydrophobicContact CD1-CH2 3.67Å; L58-W77 HydrophobicContact CD1-CZ3 3.39Å; L58-W77 HydrophobicContact CG-CH2 4.09Å; L58-W77 HydrophobicContact CG-CZ3 4.25Å; L58-P81 HydrophobicContact CD2-CB 4.21Å; L58-P81 HydrophobicContact CD2-CG 3.55Å; L58-F119 HydrophobicContact CD2-CE1 4.28Å; L58-F119 HydrophobicContact CD2-CZ 4Å; L58-F119 HydrophobicContact CG-CE1 4.48Å; L58-F119 HydrophobicContact CG-CZ 4.11Å |
| 59 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R55 H56 C57 W62 A63 S115 L116 F119 | R55-A59 PolarHBondContact O-N 3.4Å; R55-A59 VanDerWaalsContact O-N 3.1Å; H56-A59 WeakPolarHBondContact O-CB 3.47Å; H56-A59 PolarHBondContact O-N 3.18Å; C57-A59 VanDerWaalsContact C-N 3.35Å; A59-W62 PolarHBondContact O-N 3.09Å; A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.49Å; A59-A63 PolarHBondContact O-N 3.43Å; A59-S115 PolarHBondContact O-OG 3.01Å; A59-L116 HydrophobicContact CB-CD2 4.1Å; A59-L116 HydrophobicContact CB-CG 4.46Å; A59-F119 HydrophobicContact CB-CB 3.54Å; A59-F119 HydrophobicContact CB-CD1 3.86Å; A59-F119 HydrophobicContact CB-CG 3.77Å |
| 60 | L | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.8 | -74.1 | 171.8 | 0 | 0 | 0 | 112.1 | H56 C57 A63 S64 I112 S115 | H56-L60 WeakPolarHBondContact O-CG 3.43Å; H56-L60 PolarHBondContact O-N 2.75Å; C57-L60 PolarHBondContact O-N 2.83Å; L60-A63 PolarHBondContact O-N 3.35Å; L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.92Å; L60-I112 HydrophobicContact CD1-CG1 4.09Å; L60-S115 WeakPolarHBondContact CA-OG 3.28Å; L60-S115 PolarHBondContact N-OG 3.45Å |
| 61 | W | 97.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 175 | 171.5 | -106 | 0 | 0 | 0 | 111.6 | C57 L58 A63 S64 S65 E69 P71 | C57-W61 WeakPolarHBondContact O-CB 3.4Å; C57-W61 PolarHBondContact O-N 3.47Å; L58-W61 PolarHBondContact O-N 2.99Å; W61-A63 VanDerWaalsContact C-N 3.34Å; W61-A63 PolarHBondContact O-N 3.3Å; W61-S64 PolarHBondContact O-N 3.26Å; W61-S64 PolarHBondContact O-OG 3.08Å; W61-S64 VanDerWaalsContact O-OG 3.06Å; W61-S65 WeakPolarHBondContact O-CB 3.48Å; W61-S65 PolarHBondContact O-N 3.36Å; W61-S65 PolarHBondContact O-OG 3.37Å; W61-E69 PolarHBondContact NE1-O 2.75Å; W61-P71 HydrophobicContact CB-CG 4.21Å; W61-P71 HydrophobicContact CD2-CB 4.24Å; W61-P71 HydrophobicContact CD2-CG 4.14Å; W61-P71 HydrophobicContact CG-CB 4.36Å; W61-P71 HydrophobicContact CG-CG 3.75Å |
| 62 | W | 97 | Very high | 97 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 13% | 0.125 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.7 | 173.9 | 84 | 0 | 0 | 0 | 111.7 | L58 A59 S64 K66 W77 A118 F119 Y122 | L58-W62 WeakPolarHBondContact O-CB 3.44Å; L58-W62 PolarHBondContact O-N 3.49Å; A59-W62 PolarHBondContact O-N 3.09Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 3.19Å; W62-K66 VanDerWaalsContact O-CA 3.23Å; W62-K66 WeakPolarHBondContact O-CA 3.2Å; W62-K66 PolarHBondContact O-N 3.38Å; W62-W77 HydrophobicContact CB-CH2 4.49Å; W62-A118 HydrophobicContact CZ3-CB 4.4Å; W62-F119 HydrophobicContact CB-CD2 3.92Å; W62-F119 HydrophobicContact CB-CE2 3.87Å; W62-F119 AromaticContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CE2 4.23Å; W62-F119 HydrophobicContact CE3-CB 4.3Å; W62-F119 AromaticContact CE3-CD2 3.78Å; W62-F119 HydrophobicContact CE3-CD2 3.78Å; W62-F119 AromaticContact CG-CD2 3.77Å; W62-F119 HydrophobicContact CG-CD2 3.77Å; W62-F119 AromaticContact CG-CE2 3.84Å; W62-F119 HydrophobicContact CG-CE2 3.84Å; W62-Y122 AromaticContact CE2-CD1 3.95Å; W62-Y122 AromaticContact CE2-CG 3.97Å; W62-Y122 HydrophobicContact CH2-CD2 4.35Å; W62-Y122 HydrophobicContact CH2-CG 4.05Å; W62-Y122 AromaticContact CZ2-CD1 3.94Å; W62-Y122 HydrophobicContact CZ2-CD1 3.94Å; W62-Y122 AromaticContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CE1 4.38Å; W62-Y122 HydrophobicContact CZ2-CE2 4.03Å; W62-Y122 AromaticContact CZ2-CG 3.47Å; W62-Y122 HydrophobicContact CZ2-CG 3.47Å; W62-Y122 VanDerWaalsContact CZ2-CG 3.47Å; W62-Y122 AromaticContact NE1-CD1 3.97Å; W62-Y122 AromaticContact NE1-CE1 3.66Å; W62-Y122 AromaticContact NE1-CZ 3.73Å |
| 63 | A | 96.1 | Very high | 97 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -38 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A59 L60 W61 K66 | A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.49Å; A59-A63 PolarHBondContact O-N 3.43Å; L60-A63 PolarHBondContact O-N 3.35Å; W61-A63 VanDerWaalsContact C-N 3.34Å; W61-A63 PolarHBondContact O-N 3.3Å; A63-K66 VanDerWaalsContact O-CE 3.27Å; A63-K66 WeakPolarHBondContact O-CE 3.39Å; A63-K66 PolarHBondContact O-NZ 3.39Å |
| 64 | S | 95.3 | Very high | 96.9 | Very high | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -81.6 | -44.6 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | L60 W61 W62 | L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.92Å; W61-S64 PolarHBondContact O-N 3.26Å; W61-S64 PolarHBondContact O-OG 3.08Å; W61-S64 VanDerWaalsContact O-OG 3.06Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 3.19Å |
| 65 | S | 94.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -86.1 | -25.6 | -175.1 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | W61 K67 | W61-S65 WeakPolarHBondContact O-CB 3.48Å; W61-S65 PolarHBondContact O-N 3.36Å; W61-S65 PolarHBondContact O-OG 3.37Å; S65-K67 PolarHBondContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.47Å; S65-K67 VanDerWaalsContact OG-N 3.15Å |
| 66 | K | 92.5 | Very high | 96.9 | Very high | 144 Ų | 144 | 57.7 Ų | 57.7 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | trans | 54.6 | 20.8 | -165.5 | -53.6 | -53.2 | -171.2 | -159.8 | 0 | 113.8 | W62 A63 | W62-K66 VanDerWaalsContact O-CA 3.23Å; W62-K66 WeakPolarHBondContact O-CA 3.2Å; W62-K66 PolarHBondContact O-N 3.38Å; A63-K66 VanDerWaalsContact O-CE 3.27Å; A63-K66 WeakPolarHBondContact O-CE 3.39Å; A63-K66 PolarHBondContact O-NZ 3.39Å | ||
| 67 | K | 93.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 58 Ų | 58 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | trans | -107.8 | 149.7 | 180 | -65.9 | -179.6 | 178.5 | -168.1 | 0 | 111.2 | S65 E69 | S65-K67 PolarHBondContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.47Å; S65-K67 VanDerWaalsContact OG-N 3.15Å; K67-E69 HydrophobicContact CB-CB 4.39Å; K67-E69 HydrophobicContact CB-CG 4.27Å; K67-E69 WeakPolarHBondContact CD-OE2 3.47Å; K67-E69 IonicContact NZ-OE2 3.05Å | ||
| 68 | T | 96.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | trans | -101.2 | 57.6 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | K76 W77 Y122 | T68-K76 VanDerWaalsContact O-CA 3.28Å; T68-K76 WeakPolarHBondContact O-CA 3.34Å; T68-W77 VanDerWaalsContact CA-CE2 3.44Å; T68-W77 VanDerWaalsContact CA-CZ2 3.44Å; T68-W77 HydrophobicContact CG2-CZ2 4.04Å; T68-W77 PolarHBondContact O-N 3.29Å; T68-Y122 HydrophobicContact CG2-CE1 4.48Å; T68-Y122 VanDerWaalsContact CG2-OH 3.24Å; T68-Y122 WeakPolarHBondContact CG2-OH 3.37Å | ||
| 69 | E | 97.5 | Very high | 96.2 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -128.1 | 141.8 | -173.7 | -70.3 | 169.9 | -165.8 | 0 | 0 | 110.2 | W61 K67 E75 K76 W77 | W61-E69 PolarHBondContact NE1-O 2.75Å; K67-E69 HydrophobicContact CB-CB 4.39Å; K67-E69 HydrophobicContact CB-CG 4.27Å; K67-E69 WeakPolarHBondContact CD-OE2 3.47Å; K67-E69 IonicContact NZ-OE2 3.05Å; E69-E75 CarbonylContact C-O 3.58Å; E69-E75 WeakPolarHBondContact CA-O 3.44Å; E69-K76 HydrophobicContact CG-CG 3.84Å; E69-W77 VanDerWaalsContact C-CE3 3.45Å; E69-W77 VanDerWaalsContact C-CZ3 3.41Å; E69-W77 WeakPolarHBondContact O-CZ3 3.43Å |
| 70 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -53.4 | 129.7 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L47 C49 E72 C73 R74 E75 | L47-C70 HydrophobicContact CD1-CB 3.74Å; C49-C70 VanDerWaalsContact SG-SG 3.69Å; C70-E72 PolarHBondContact O-N 3.36Å; C70-E72 PolarHBondContact SG-N 3.08Å; C70-E72 VanDerWaalsContact SG-N 3.41Å; C70-C73 VanDerWaalsContact CB-SG 3.55Å; C70-C73 PolarHBondContact SG-N 3.1Å; C70-R74 VanDerWaalsContact O-CA 3.25Å; C70-R74 WeakPolarHBondContact O-CA 3.43Å; C70-R74 PolarHBondContact O-N 2.79Å; C70-E75 PolarHBondContact N-O 2.78Å | ||
| 71 | P | 97.7 | Very high | 96 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.9 | 174 | -24.8 | 31.9 | 0 | 0 | 0 | 113.8 | F53 L58 W61 R74 | F53-P71 HydrophobicContact CD1-CG 4.38Å; F53-P71 HydrophobicContact CD2-CG 4.41Å; F53-P71 HydrophobicContact CE1-CB 4.06Å; F53-P71 HydrophobicContact CE1-CG 4.12Å; F53-P71 HydrophobicContact CE2-CG 4.18Å; F53-P71 HydrophobicContact CZ-CB 4.11Å; F53-P71 HydrophobicContact CZ-CG 4.02Å; L58-P71 HydrophobicContact CD1-CG 4.28Å; W61-P71 HydrophobicContact CB-CG 4.21Å; W61-P71 HydrophobicContact CD2-CB 4.24Å; W61-P71 HydrophobicContact CD2-CG 4.14Å; W61-P71 HydrophobicContact CG-CB 4.36Å; W61-P71 HydrophobicContact CG-CG 3.75Å; P71-R74 PolarHBondContact O-NH1 3.12Å; P71-R74 VanDerWaalsContact O-NH1 3.16Å |
| 72 | E | 97 | Very high | 95.9 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -66.4 | -175.5 | -165.2 | 70.7 | -148.5 | 0 | 0 | 111.7 | H35 F53 C70 | H35-E72 WeakPolarHBondContact CB-OE2 3.36Å; H35-E72 IonicContact CG-OE2 2.88Å; F53-E72 HydrophobicContact CE1-CB 4.46Å; F53-E72 HydrophobicContact CZ-CB 3.93Å; C70-E72 PolarHBondContact O-N 3.36Å; C70-E72 PolarHBondContact SG-N 3.08Å; C70-E72 VanDerWaalsContact SG-N 3.41Å |
| 73 | C | 97.9 | Very high | 96 | Very high | 56 Ų | 56 | 72.6 Ų | 72.6 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1.6 | -170.9 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | C70 E75 | C70-C73 VanDerWaalsContact CB-SG 3.55Å; C70-C73 PolarHBondContact SG-N 3.1Å; C73-E75 PolarHBondContact O-N 3.28Å; C73-E75 VanDerWaalsContact SG-CB 3.6Å |
| 74 | R | 97.4 | Very high | 96.1 | Very high | 134 Ų | 134 | 72.8 Ų | 72.8 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | trans | 63.3 | 3.8 | -177.4 | -49.2 | -57.9 | -176.1 | -164.3 | -0.4 | 116.2 | C70 P71 K76 | C70-R74 VanDerWaalsContact O-CA 3.25Å; C70-R74 WeakPolarHBondContact O-CA 3.43Å; C70-R74 PolarHBondContact O-N 2.79Å; P71-R74 PolarHBondContact O-NH1 3.12Å; P71-R74 VanDerWaalsContact O-NH1 3.16Å; R74-K76 PolarHBondContact O-N 3.15Å | ||
| 75 | E | 98.2 | Very high | 96.2 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 134.8 | 175 | -169.1 | 173.9 | 158.5 | 0 | 0 | 110.9 | C49 E69 C70 C73 W77 | C49-E75 HydrophobicContact CB-CB 4.01Å; C49-E75 HydrophobicContact CB-CG 4.22Å; C49-E75 WeakPolarHBondContact CB-OE2 3.48Å; E69-E75 CarbonylContact C-O 3.58Å; E69-E75 WeakPolarHBondContact CA-O 3.44Å; C70-E75 PolarHBondContact N-O 2.78Å; C73-E75 PolarHBondContact O-N 3.28Å; C73-E75 VanDerWaalsContact SG-CB 3.6Å; E75-W77 PolarHBondContact O-N 3.03Å |
| 76 | K | 97.6 | Very high | 96.4 | Very high | 143 Ų | 143 | 77.9 Ų | 77.9 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | B | Isolated β-bridge | trans | -67.4 | 133 | 177.2 | -72.9 | -177.4 | -179.6 | 179 | 0 | 109.9 | N48 T68 E69 R74 | N48-K76 PolarHBondContact ND2-O 3.5Å; N48-K76 VanDerWaalsContact ND2-O 3.13Å; T68-K76 VanDerWaalsContact O-CA 3.28Å; T68-K76 WeakPolarHBondContact O-CA 3.34Å; E69-K76 HydrophobicContact CG-CG 3.84Å; R74-K76 PolarHBondContact O-N 3.15Å |
| 77 | W | 95.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 73 Ų | 73 | 5% | 0.053 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 145.4 | 174.3 | 66.4 | 64 | 0 | 0 | 0 | 112.5 | L47 N48 L58 W62 T68 E69 E75 G79 F119 | L47-W77 HydrophobicContact CD1-CE3 3.72Å; L47-W77 HydrophobicContact CD1-CZ3 4.35Å; L47-W77 HydrophobicContact CD2-CB 4.05Å; L47-W77 HydrophobicContact CD2-CD2 4.11Å; L47-W77 HydrophobicContact CD2-CE3 3.9Å; L47-W77 HydrophobicContact CD2-CG 4.21Å; L47-W77 HydrophobicContact CG-CE3 4.47Å; N48-W77 WeakPolarHBondContact OD1-CA 3.29Å; N48-W77 WeakPolarHBondContact OD1-CB 3.26Å; L58-W77 HydrophobicContact CD1-CE3 4.17Å; L58-W77 HydrophobicContact CD1-CH2 3.67Å; L58-W77 HydrophobicContact CD1-CZ3 3.39Å; L58-W77 HydrophobicContact CG-CH2 4.09Å; L58-W77 HydrophobicContact CG-CZ3 4.25Å; W62-W77 HydrophobicContact CB-CH2 4.49Å; T68-W77 VanDerWaalsContact CA-CE2 3.44Å; T68-W77 VanDerWaalsContact CA-CZ2 3.44Å; T68-W77 HydrophobicContact CG2-CZ2 4.04Å; T68-W77 PolarHBondContact O-N 3.29Å; E69-W77 VanDerWaalsContact C-CE3 3.45Å; E69-W77 VanDerWaalsContact C-CZ3 3.41Å; E69-W77 WeakPolarHBondContact O-CZ3 3.43Å; E75-W77 PolarHBondContact O-N 3.03Å; W77-G79 VanDerWaalsContact CD1-O 3.31Å; W77-F119 HydrophobicContact CZ2-CE2 4.44Å |
| 78 | E | 92.8 | Very high | 96.9 | Very high | 164 Ų | 164 | 70.7 Ų | 70.7 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -93 | 131.8 | -179.7 | -65.1 | -176.4 | 176 | 0 | 0 | 111.4 | ||
| 79 | G | 92.8 | Very high | 97 | Very high | 54 Ų | 54 | 72.1 Ų | 72.1 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 59.4 | -161.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W77 | W77-G79 VanDerWaalsContact CD1-O 3.31Š|
| 80 | F | 95.1 | Very high | 97 | Very high | 47 Ų | 47 | 72.2 Ų | 72.2 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -91 | 118.9 | 174.9 | -172.2 | -112.1 | 0 | 0 | 0 | 110.5 | F119 Y122 G123 | F80-F119 HydrophobicContact CD2-CZ 4.34Å; F80-F119 HydrophobicContact CE2-CD1 4.05Å; F80-F119 HydrophobicContact CE2-CD2 4.09Å; F80-F119 AromaticContact CE2-CE1 3.69Å; F80-F119 HydrophobicContact CE2-CE1 3.69Å; F80-F119 AromaticContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CG 4.23Å; F80-F119 AromaticContact CE2-CZ 3.54Å; F80-F119 HydrophobicContact CE2-CZ 3.54Å; F80-F119 VanDerWaalsContact CE2-O 3.3Å; F80-F119 WeakPolarHBondContact CE2-O 3.19Å; F80-F119 AromaticContact CZ-CD1 3.89Å; F80-F119 HydrophobicContact CZ-CD1 3.89Å; F80-F119 AromaticContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CG 4.37Å; F80-F119 HydrophobicContact CZ-CZ 4.08Å; F80-F119 VanDerWaalsContact CZ-O 3.28Å; F80-F119 WeakPolarHBondContact CZ-O 3.29Å; F80-Y122 HydrophobicContact CD2-CD1 4.16Å; F80-Y122 HydrophobicContact CD2-CE1 4.42Å; F80-Y122 HydrophobicContact CE2-CD1 4.09Å; F80-G123 VanDerWaalsContact CE2-CA 3.43Å; F80-G123 VanDerWaalsContact CG-CA 3.43Å |
| 81 | P | 95.7 | Very high | 97 | Very high | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.065 | 37% | 0.368 | C | S | . | . | trans | -70.4 | 136.9 | -171.2 | 27.8 | -34.4 | 0 | 0 | 0 | 111.9 | T45 L47 L58 F119 | T45-P81 HydrophobicContact CG2-CB 3.66Å; T45-P81 HydrophobicContact CG2-CG 4.2Å; L47-P81 HydrophobicContact CD2-CB 3.67Å; L47-P81 HydrophobicContact CD2-CG 4.07Å; L58-P81 HydrophobicContact CD2-CB 4.21Å; L58-P81 HydrophobicContact CD2-CG 3.55Å; P81-F119 HydrophobicContact CG-CZ 4.12Å | ||
| 82 | K | 95.9 | Very high | 97 | Very high | 170 Ų | 170 | 74.7 Ų | 74.7 | 74% | 0.739 | 38% | 0.378 | S | S | * | . | trans | -104.2 | 153.7 | -173.7 | -63.7 | -177.9 | -177.7 | 176.8 | 0 | 111.6 | S84 | K82-S84 PolarHBondContact O-N 3.34Š| ||
| 83 | V | 98 | Very high | 97 | Very high | 33 Ų | 33 | 78.5 Ų | 78.5 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 131.6 | 173.1 | 178 | 0 | 0 | 0 | 0 | 109 | N43 P44 I85 R88 | N43-V83 HydrophobicContact CB-CG1 4.26Å; N43-V83 HydrophobicContact CB-CG2 4.15Å; P44-V83 CarbonylContact O-C 3.57Å; P44-V83 WeakPolarHBondContact O-CA 3.24Å; P44-V83 WeakPolarHBondContact O-CG1 3.45Å; V83-I85 PolarHBondContact O-N 3.46Å; V83-R88 HydrophobicContact CG1-CB 4.47Å |
| 84 | S | 98.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 79.8 Ų | 79.8 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | trans | -75.1 | 102.6 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | P44 K82 L87 R88 | P44-S84 PolarHBondContact O-N 3.35Å; K82-S84 PolarHBondContact O-N 3.34Å; S84-L87 PolarHBondContact O-N 3.08Å; S84-L87 WeakPolarHBondContact OG-CB 3.48Å; S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 PolarHBondContact O-N 3.22Å | ||
| 85 | I | 98.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 75 Ų | 75 | 45% | 0.451 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | -176.9 | -58.9 | -56 | 0 | 0 | 0 | 111 | V83 L87 R88 D89 | V83-I85 PolarHBondContact O-N 3.46Å; I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; I85-R88 VanDerWaalsContact CD1-NH1 3.31Å; I85-R88 PolarHBondContact O-N 3.49Å; I85-D89 WeakPolarHBondContact CG2-OD2 3.42Å; I85-D89 WeakPolarHBondContact O-CB 3.48Å; I85-D89 PolarHBondContact O-N 3.23Å |
| 86 | L | 98.3 | Very high | 96.8 | Very high | 147 Ų | 147 | 74 Ų | 74 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | -179.5 | -66 | 177.5 | 0 | 0 | 0 | 112.4 | A90 | L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.33Å |
| 87 | L | 97.9 | Very high | 96.8 | Very high | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.1 | -42.1 | 179.5 | -176.4 | 55.6 | 0 | 0 | 0 | 111.1 | F32 P44 S84 I85 A90 I91 | F32-L87 HydrophobicContact CD1-CD1 3.97Å; F32-L87 HydrophobicContact CE1-CD1 3.86Å; P44-L87 HydrophobicContact CB-CB 4.49Å; P44-L87 HydrophobicContact CB-CD2 3.72Å; P44-L87 HydrophobicContact CB-CG 4.01Å; P44-L87 HydrophobicContact CG-CB 3.96Å; P44-L87 HydrophobicContact CG-CD2 4.06Å; P44-L87 HydrophobicContact CG-CG 3.78Å; S84-L87 PolarHBondContact O-N 3.08Å; S84-L87 WeakPolarHBondContact OG-CB 3.48Å; I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; L87-A90 PolarHBondContact O-N 3.25Å; L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CG-CD1 3.81Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.42Å |
| 88 | R | 98.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.6 | -53.6 | 174.7 | -178.9 | -165.7 | 61.1 | -148.9 | -2.6 | 110.9 | N43 P44 V83 S84 I85 A90 I91 E92 | N43-R88 WeakPolarHBondContact OD1-CD 3.48Å; P44-R88 HydrophobicContact CG-CB 4Å; V83-R88 HydrophobicContact CG1-CB 4.47Å; S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 PolarHBondContact O-N 3.22Å; I85-R88 VanDerWaalsContact CD1-NH1 3.31Å; I85-R88 PolarHBondContact O-N 3.49Å; R88-A90 VanDerWaalsContact C-N 3.28Å; R88-A90 PolarHBondContact O-N 3.41Å; R88-I91 PolarHBondContact O-N 3.31Å; R88-I91 VanDerWaalsContact O-N 3.16Å; R88-E92 WeakPolarHBondContact CD-OE1 3.35Å; R88-E92 HydrophobicContact CG-CG 4.38Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.92Å |
| 89 | D | 98.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | -174.5 | -60.7 | -6.6 | 0 | 0 | 0 | 111 | I85 K93 | I85-D89 WeakPolarHBondContact CG2-OD2 3.42Å; I85-D89 WeakPolarHBondContact O-CB 3.48Å; I85-D89 PolarHBondContact O-N 3.23Å; D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.49Å; D89-K93 PolarHBondContact O-N 3.24Å |
| 90 | A | 97.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 69 Ų | 69 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L86 L87 R88 K93 L94 | L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.33Å; L87-A90 PolarHBondContact O-N 3.25Å; R88-A90 VanDerWaalsContact C-N 3.28Å; R88-A90 PolarHBondContact O-N 3.41Å; A90-K93 PolarHBondContact O-N 3.16Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 3.17Å |
| 91 | I | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | -180 | -64.4 | 165 | 0 | 0 | 0 | 110.8 | F32 I40 L41 P44 L87 R88 K93 L94 F95 I99 | F32-I91 HydrophobicContact CB-CD1 3.97Å; F32-I91 HydrophobicContact CB-CG1 3.98Å; F32-I91 HydrophobicContact CD1-CD1 3.8Å; F32-I91 HydrophobicContact CD1-CG1 3.55Å; F32-I91 HydrophobicContact CD2-CG1 4.35Å; F32-I91 HydrophobicContact CE1-CG1 4.06Å; F32-I91 HydrophobicContact CG-CD1 4.09Å; F32-I91 HydrophobicContact CG-CG1 3.7Å; I40-I91 HydrophobicContact CD1-CG2 3.7Å; I40-I91 HydrophobicContact CG1-CG2 3.84Å; L41-I91 HydrophobicContact CB-CD1 3.83Å; L41-I91 HydrophobicContact CD1-CD1 4.33Å; P44-I91 HydrophobicContact CG-CD1 4.25Å; L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CG-CD1 3.81Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.42Å; R88-I91 PolarHBondContact O-N 3.31Å; R88-I91 VanDerWaalsContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 2.89Å; I91-L94 PolarHBondContact O-N 3.08Å; I91-F95 PolarHBondContact O-N 3.05Å; I91-I99 HydrophobicContact CG2-CD1 3.63Å; I91-I99 HydrophobicContact CG2-CG1 3.82Å |
| 92 | E | 97.4 | Very high | 97.4 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 176.9 | -79.3 | 174.1 | -169.6 | 0 | 0 | 112.1 | R88 P96 I99 | R88-E92 WeakPolarHBondContact CD-OE1 3.35Å; R88-E92 HydrophobicContact CG-CG 4.38Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.92Å; E92-P96 WeakPolarHBondContact O-CA 3.47Å; E92-I99 HydrophobicContact CG-CG2 3.97Å |
| 93 | K | 97.3 | Very high | 97.4 | Very high | 179 Ų | 179 | 67 Ų | 67 | 78% | 0.778 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.7 | -38.8 | 177.3 | -174.9 | 175.8 | -179.2 | 179.2 | 0 | 112.9 | D89 A90 I91 | D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.49Å; D89-K93 PolarHBondContact O-N 3.24Å; A90-K93 PolarHBondContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 2.89Å |
| 94 | L | 96.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.4 | -35.1 | -177.4 | -69.1 | 171.9 | 0 | 0 | 0 | 112.3 | I27 F32 A90 I91 | I27-L94 HydrophobicContact CD1-CD1 4.41Å; F32-L94 HydrophobicContact CE2-CD1 3.95Å; F32-L94 HydrophobicContact CZ-CD1 4.08Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 3.17Å; I91-L94 PolarHBondContact O-N 3.08Å |
| 95 | F | 97.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | trans | -136.4 | 59.5 | -172.6 | -51.4 | -72.9 | 0 | 0 | 0 | 112.9 | I27 V29 F32 I40 I91 D97 A98 I99 | I27-F95 HydrophobicContact CG2-CE2 4.42Å; I27-F95 HydrophobicContact CG2-CZ 4.11Å; I27-F95 WeakPolarHBondContact O-CZ 3.38Å; V29-F95 HydrophobicContact CB-CE1 4.49Å; V29-F95 HydrophobicContact CG2-CD1 3.37Å; V29-F95 HydrophobicContact CG2-CE1 3.61Å; V29-F95 HydrophobicContact CG2-CG 3.91Å; V29-F95 HydrophobicContact CG2-CZ 4.34Å; F32-F95 HydrophobicContact CD2-CD2 4.16Å; F32-F95 AromaticContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CE2 3.48Å; F32-F95 VanDerWaalsContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CZ 4.4Å; F32-F95 AromaticContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CZ 4.45Å; I40-F95 HydrophobicContact CD1-CB 3.71Å; I40-F95 HydrophobicContact CD1-CD2 4.2Å; I40-F95 HydrophobicContact CD1-CG 4.18Å; I91-F95 PolarHBondContact O-N 3.05Å; F95-D97 PolarHBondContact O-N 3.41Å; F95-A98 HydrophobicContact CB-CB 4.13Å; F95-A98 PolarHBondContact O-N 3.3Å; F95-I99 WeakPolarHBondContact O-CG1 3.25Å; F95-I99 PolarHBondContact O-N 3.45Å | ||
| 96 | P | 96.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 49% | 0.494 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | -173.8 | 23.5 | -34.3 | 0 | 0 | 0 | 113.3 | E92 I99 R100 | E92-P96 WeakPolarHBondContact O-CA 3.47Å; P96-I99 PolarHBondContact O-N 3.25Å; P96-R100 WeakPolarHBondContact O-CB 3.18Å; P96-R100 PolarHBondContact O-N 3.46Å |
| 97 | D | 96.6 | Very high | 97 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.7 | -43.2 | -178.8 | -70.4 | -46 | 0 | 0 | 0 | 112.6 | F95 I99 R100 L101 | F95-D97 PolarHBondContact O-N 3.41Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 3.23Å; D97-R100 PolarHBondContact O-N 2.89Å; D97-L101 WeakPolarHBondContact O-CG 3.43Å; D97-L101 PolarHBondContact O-N 3.47Å |
| 98 | A | 96.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 72.9 Ų | 72.9 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I40 F95 R102 | I40-A98 HydrophobicContact CD1-CB 3.93Å; F95-A98 HydrophobicContact CB-CB 4.13Å; F95-A98 PolarHBondContact O-N 3.3Å; A98-R102 VanDerWaalsContact O-CB 3.29Å; A98-R102 WeakPolarHBondContact O-CB 3.24Å; A98-R102 PolarHBondContact O-N 2.89Å |
| 99 | I | 97.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.6 | -73 | -64.5 | 0 | 0 | 0 | 111.8 | I40 L41 V42 I91 E92 F95 P96 D97 L101 R102 F103 | I40-I99 HydrophobicContact CD1-CD1 3.78Å; I40-I99 HydrophobicContact CD1-CG1 3.87Å; I40-I99 HydrophobicContact CG1-CD1 3.91Å; I40-I99 HydrophobicContact CG2-CD1 4.03Å; L41-I99 WeakPolarHBondContact O-CD1 3.47Å; V42-I99 HydrophobicContact CG2-CD1 4.08Å; I91-I99 HydrophobicContact CG2-CD1 3.63Å; I91-I99 HydrophobicContact CG2-CG1 3.82Å; E92-I99 HydrophobicContact CG-CG2 3.97Å; F95-I99 WeakPolarHBondContact O-CG1 3.25Å; F95-I99 PolarHBondContact O-N 3.45Å; P96-I99 PolarHBondContact O-N 3.25Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 3.23Å; I99-L101 PolarHBondContact O-N 3.06Å; I99-R102 PolarHBondContact O-N 3.41Å; I99-F103 HydrophobicContact CG2-CD2 3.3Å; I99-F103 HydrophobicContact CG2-CE2 3.25Å; I99-F103 WeakPolarHBondContact O-CB 3.35Å; I99-F103 VanDerWaalsContact O-CD2 3.24Å; I99-F103 WeakPolarHBondContact O-CD2 3.08Å; I99-F103 PolarHBondContact O-N 2.89Å |
| 100 | R | 97.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 75.9 Ų | 75.9 | 46% | 0.457 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 178.5 | -176.8 | -179.5 | 61.1 | 74.2 | 0.4 | 111.7 | P96 D97 R102 F103 E104 | P96-R100 WeakPolarHBondContact O-CB 3.18Å; P96-R100 PolarHBondContact O-N 3.46Å; D97-R100 PolarHBondContact O-N 2.89Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.78Å; R100-F103 PolarHBondContact O-N 2.79Å; R100-E104 WeakPolarHBondContact CG-OE1 3Å; R100-E104 IonicContact CZ-OE1 3.38Å; R100-E104 IonicContact NH1-OE1 3.81Å; R100-E104 PolarHBondContact NH1-OE1 3.03Å; R100-E104 IonicContact NH1-OE2 3.98Å; R100-E104 WeakPolarHBondContact O-CG 3.43Å; R100-E104 PolarHBondContact O-N 2.94Å; R100-E104 VanDerWaalsContact O-N 3.1Å |
| 101 | L | 96.5 | Very high | 96.6 | Very high | 87 Ų | 87 | 79.5 Ų | 79.5 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 177.6 | -68.2 | 172.6 | 0 | 0 | 0 | 111 | D97 I99 F103 E104 D105 | D97-L101 WeakPolarHBondContact O-CG 3.43Å; D97-L101 PolarHBondContact O-N 3.47Å; I99-L101 PolarHBondContact O-N 3.06Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 3.04Å; L101-E104 PolarHBondContact O-N 3.5Å; L101-D105 PolarHBondContact O-N 3.17Å; L101-D105 VanDerWaalsContact O-N 3.07Å |
| 102 | R | 96.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 80.4 Ų | 80.4 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -35.8 | -180 | -167.9 | 60.5 | 173 | 177.5 | -8.9 | 112.7 | C37 D39 I40 V42 A98 I99 R100 I106 | C37-R102 PolarHBondContact SG-NH2 3.13Å; D39-R102 WeakPolarHBondContact OD2-CD 3.36Å; D39-R102 IonicContact OD2-CZ 3.19Å; D39-R102 IonicContact OD2-NE 2.9Å; D39-R102 PolarHBondContact OD2-NE 3.23Å; D39-R102 IonicContact OD2-NH1 2.8Å; D39-R102 PolarHBondContact OD2-NH1 3.18Å; D39-R102 IonicContact OD2-NH2 3.72Å; D39-R102 PolarHBondContact OD2-NH2 3.37Å; I40-R102 HydrophobicContact CG2-CB 3.99Å; I40-R102 HydrophobicContact CG2-CG 4.03Å; V42-R102 HydrophobicContact CG2-CB 3.94Å; V42-R102 HydrophobicContact CG2-CG 3.51Å; A98-R102 VanDerWaalsContact O-CB 3.29Å; A98-R102 WeakPolarHBondContact O-CB 3.24Å; A98-R102 PolarHBondContact O-N 2.89Å; I99-R102 PolarHBondContact O-N 3.41Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.78Å; R102-I106 HydrophobicContact CG-CD1 4.08Å; R102-I106 WeakPolarHBondContact O-CB 3.36Å; R102-I106 VanDerWaalsContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.35Å; R102-I106 PolarHBondContact O-N 3.49Å; R102-I106 VanDerWaalsContact O-N 3.08Å |
| 103 | F | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 24% | 0.237 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 174.1 | -92.7 | -65.2 | 0 | 0 | 0 | 112.1 | V42 I99 R100 L101 I106 Q107 | V42-F103 HydrophobicContact CG1-CD1 3.63Å; V42-F103 HydrophobicContact CG1-CD2 4.36Å; V42-F103 HydrophobicContact CG1-CE1 3.24Å; V42-F103 HydrophobicContact CG1-CE2 4.03Å; V42-F103 HydrophobicContact CG1-CG 4.18Å; V42-F103 HydrophobicContact CG1-CZ 3.47Å; V42-F103 VanDerWaalsContact CG1-CZ 3.47Å; I99-F103 HydrophobicContact CG2-CD2 3.3Å; I99-F103 HydrophobicContact CG2-CE2 3.25Å; I99-F103 WeakPolarHBondContact O-CB 3.35Å; I99-F103 VanDerWaalsContact O-CD2 3.24Å; I99-F103 WeakPolarHBondContact O-CD2 3.08Å; I99-F103 PolarHBondContact O-N 2.89Å; R100-F103 PolarHBondContact O-N 2.79Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 3.04Å; F103-I106 PolarHBondContact O-N 3.06Å; F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.93Å |
| 104 | E | 96.2 | Very high | 96.5 | Very high | 78 Ų | 78 | 78.5 Ų | 78.5 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.6 | -70 | 167.7 | -160.1 | 0 | 0 | 110.6 | R100 L101 I106 Q107 Q108 | R100-E104 WeakPolarHBondContact CG-OE1 3Å; R100-E104 IonicContact CZ-OE1 3.38Å; R100-E104 IonicContact NH1-OE1 3.81Å; R100-E104 PolarHBondContact NH1-OE1 3.03Å; R100-E104 IonicContact NH1-OE2 3.98Å; R100-E104 WeakPolarHBondContact O-CG 3.43Å; R100-E104 PolarHBondContact O-N 2.94Å; R100-E104 VanDerWaalsContact O-N 3.1Å; L101-E104 PolarHBondContact O-N 3.5Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-I106 PolarHBondContact O-N 3.46Å; E104-Q107 PolarHBondContact O-N 2.72Å; E104-Q108 WeakPolarHBondContact O-CG 3.23Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 VanDerWaalsContact O-N 3.09Å |
| 105 | D | 96.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 176.7 | -70.6 | -11.1 | 0 | 0 | 0 | 112.4 | L101 Q108 N109 | L101-D105 PolarHBondContact O-N 3.17Å; L101-D105 VanDerWaalsContact O-N 3.07Å; D105-Q108 PolarHBondContact O-N 3Å; D105-N109 PolarHBondContact O-N 2.96Å |
| 106 | I | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.7 | -73.4 | 162 | 0 | 0 | 0 | 111.2 | V42 H56 R102 F103 E104 N109 I112 | V42-I106 HydrophobicContact CB-CD1 3.7Å; V42-I106 HydrophobicContact CG1-CD1 3.72Å; V42-I106 HydrophobicContact CG2-CD1 3.76Å; H56-I106 WeakPolarHBondContact CE1-CD1 3.2Å; R102-I106 HydrophobicContact CG-CD1 4.08Å; R102-I106 WeakPolarHBondContact O-CB 3.36Å; R102-I106 VanDerWaalsContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.35Å; R102-I106 PolarHBondContact O-N 3.49Å; R102-I106 VanDerWaalsContact O-N 3.08Å; F103-I106 PolarHBondContact O-N 3.06Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-I106 PolarHBondContact O-N 3.46Å; I106-N109 PolarHBondContact O-N 3.44Å; I106-I112 HydrophobicContact CG2-CG2 3.77Å |
| 107 | Q | 94.6 | Very high | 96.5 | Very high | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70.8 | -31.8 | -178.4 | -74.9 | -177.1 | 10.6 | 0 | 0 | 112.9 | F103 E104 N109 | F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.93Å; E104-Q107 PolarHBondContact O-N 2.72Å; Q107-N109 PolarHBondContact O-N 3.41Å |
| 108 | Q | 96.5 | Very high | 96.4 | Very high | 150 Ų | 150 | 71 Ų | 71 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73.7 | -15.7 | 177.2 | -68.7 | 177.9 | 16 | 0 | 0 | 112.8 | E104 D105 N110 | E104-Q108 WeakPolarHBondContact O-CG 3.23Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 VanDerWaalsContact O-N 3.09Å; D105-Q108 PolarHBondContact O-N 3Å; Q108-N110 PolarHBondContact O-N 3.1Å |
| 109 | N | 97.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 69.5 Ų | 69.5 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | trans | -90.9 | 102.2 | 179.6 | -171.6 | -40.5 | 0 | 0 | 0 | 111.8 | D105 I106 Q107 D111 I112 V113 | D105-N109 PolarHBondContact O-N 2.96Å; I106-N109 PolarHBondContact O-N 3.44Å; Q107-N109 PolarHBondContact O-N 3.41Å; N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.33Å; N109-D111 PolarHBondContact OD1-N 3.15Å; N109-D111 VanDerWaalsContact OD1-N 3.1Å; N109-I112 HydrophobicContact CB-CB 4.08Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 4.09Å; N109-I112 PolarHBondContact O-N 3.4Å; N109-I112 PolarHBondContact OD1-N 2.8Å; N109-I112 VanDerWaalsContact OD1-N 3.08Å; N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 2.91Å; N109-V113 VanDerWaalsContact O-N 3.08Å | ||
| 110 | N | 96.3 | Very high | 96.3 | Very high | 127 Ų | 127 | 73.8 Ų | 73.8 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.5 | -38.7 | -179.6 | -72.8 | -39.9 | 0 | 0 | 0 | 113.7 | Q108 I112 V113 Q114 | Q108-N110 PolarHBondContact O-N 3.1Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.26Å; N110-V113 PolarHBondContact O-N 3.48Å; N110-Q114 WeakPolarHBondContact O-CB 3.49Å; N110-Q114 PolarHBondContact O-N 3.03Å |
| 111 | D | 95.3 | Very high | 96.2 | Very high | 115 Ų | 115 | 74.7 Ų | 74.7 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | -179.1 | -63.3 | -28.9 | 0 | 0 | 0 | 110.9 | N109 S115 | N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.33Å; N109-D111 PolarHBondContact OD1-N 3.15Å; N109-D111 VanDerWaalsContact OD1-N 3.1Å; D111-S115 VanDerWaalsContact O-CB 3.24Å; D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 3.22Å |
| 112 | I | 97 | Very high | 96.1 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -50.3 | 174.3 | -71.7 | 176.4 | 0 | 0 | 0 | 110.6 | H56 L60 I106 N109 N110 Q114 S115 L116 | H56-I112 HydrophobicContact CB-CG2 3.53Å; L60-I112 HydrophobicContact CD1-CG1 4.09Å; I106-I112 HydrophobicContact CG2-CG2 3.77Å; N109-I112 HydrophobicContact CB-CB 4.08Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 4.09Å; N109-I112 PolarHBondContact O-N 3.4Å; N109-I112 PolarHBondContact OD1-N 2.8Å; N109-I112 VanDerWaalsContact OD1-N 3.08Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.26Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 3.5Å; I112-S115 PolarHBondContact O-N 2.94Å; I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.88Å |
| 113 | V | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60 | -44 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | N109 N110 L116 A117 | N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 2.91Å; N109-V113 VanDerWaalsContact O-N 3.08Å; N110-V113 PolarHBondContact O-N 3.48Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-A117 PolarHBondContact O-N 3.39Å |
| 114 | Q | 96.4 | Very high | 95.6 | Very high | 141 Ų | 141 | 74 Ų | 74 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 177.4 | -175 | 176.8 | -0.5 | 0 | 0 | 112 | N110 I112 L116 A117 A118 | N110-Q114 WeakPolarHBondContact O-CB 3.49Å; N110-Q114 PolarHBondContact O-N 3.03Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 3.5Å; Q114-L116 PolarHBondContact O-N 3.41Å; Q114-A117 PolarHBondContact O-N 3.49Å; Q114-A118 PolarHBondContact O-N 3.48Å |
| 115 | S | 96.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 75.8 Ų | 75.8 | 7% | 0.07 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.5 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | A59 L60 D111 I112 A118 F119 | A59-S115 PolarHBondContact O-OG 3.01Å; L60-S115 WeakPolarHBondContact CA-OG 3.28Å; L60-S115 PolarHBondContact N-OG 3.45Å; D111-S115 VanDerWaalsContact O-CB 3.24Å; D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 3.22Å; I112-S115 PolarHBondContact O-N 2.94Å; S115-A118 PolarHBondContact O-N 2.96Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.85Å |
| 116 | L | 96.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 75.3 Ų | 75.3 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.5 | -83.8 | 172.2 | 0 | 0 | 0 | 112.2 | R55 H56 A59 I112 V113 Q114 A118 F119 Q120 | R55-L116 HydrophobicContact CB-CD2 4.34Å; R55-L116 HydrophobicContact CG-CD2 3.8Å; H56-L116 HydrophobicContact CB-CD1 3.93Å; H56-L116 HydrophobicContact CB-CD2 3.95Å; H56-L116 HydrophobicContact CB-CG 3.88Å; A59-L116 HydrophobicContact CB-CD2 4.1Å; A59-L116 HydrophobicContact CB-CG 4.46Å; I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.88Å; V113-L116 PolarHBondContact O-N 3.32Å; Q114-L116 PolarHBondContact O-N 3.41Å; L116-A118 PolarHBondContact O-N 3.01Å; L116-F119 PolarHBondContact O-N 2.83Å; L116-Q120 WeakPolarHBondContact O-CB 3.23Å; L116-Q120 WeakPolarHBondContact O-CG 3.24Å; L116-Q120 PolarHBondContact O-N 3.45Å |
| 117 | A | 96.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 80 Ų | 80 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V113 Q114 F119 Q120 K121 | V113-A117 PolarHBondContact O-N 3.39Å; Q114-A117 PolarHBondContact O-N 3.49Å; A117-F119 PolarHBondContact O-N 3.31Å; A117-Q120 PolarHBondContact O-N 3.46Å; A117-K121 PolarHBondContact O-N 3.13Å |
| 118 | A | 96.1 | Very high | 91.1 | Very high | 45 Ų | 45 | 78.9 Ų | 78.9 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W62 Q114 S115 L116 K121 Y122 | W62-A118 HydrophobicContact CZ3-CB 4.4Å; Q114-A118 PolarHBondContact O-N 3.48Å; S115-A118 PolarHBondContact O-N 2.96Å; L116-A118 PolarHBondContact O-N 3.01Å; A118-K121 PolarHBondContact O-N 3.15Å; A118-Y122 PolarHBondContact O-N 3.18Å |
| 119 | F | 96.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 178.5 | -173.9 | -118.6 | 0 | 0 | 0 | 112.4 | L58 A59 W62 W77 F80 P81 S115 L116 A117 Y122 G123 | L58-F119 HydrophobicContact CD2-CE1 4.28Å; L58-F119 HydrophobicContact CD2-CZ 4Å; L58-F119 HydrophobicContact CG-CE1 4.48Å; L58-F119 HydrophobicContact CG-CZ 4.11Å; A59-F119 HydrophobicContact CB-CB 3.54Å; A59-F119 HydrophobicContact CB-CD1 3.86Å; A59-F119 HydrophobicContact CB-CG 3.77Å; W62-F119 HydrophobicContact CB-CD2 3.92Å; W62-F119 HydrophobicContact CB-CE2 3.87Å; W62-F119 AromaticContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CE2 4.23Å; W62-F119 HydrophobicContact CE3-CB 4.3Å; W62-F119 AromaticContact CE3-CD2 3.78Å; W62-F119 HydrophobicContact CE3-CD2 3.78Å; W62-F119 AromaticContact CG-CD2 3.77Å; W62-F119 HydrophobicContact CG-CD2 3.77Å; W62-F119 AromaticContact CG-CE2 3.84Å; W62-F119 HydrophobicContact CG-CE2 3.84Å; W77-F119 HydrophobicContact CZ2-CE2 4.44Å; F80-F119 HydrophobicContact CD2-CZ 4.34Å; F80-F119 HydrophobicContact CE2-CD1 4.05Å; F80-F119 HydrophobicContact CE2-CD2 4.09Å; F80-F119 AromaticContact CE2-CE1 3.69Å; F80-F119 HydrophobicContact CE2-CE1 3.69Å; F80-F119 AromaticContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CG 4.23Å; F80-F119 AromaticContact CE2-CZ 3.54Å; F80-F119 HydrophobicContact CE2-CZ 3.54Å; F80-F119 VanDerWaalsContact CE2-O 3.3Å; F80-F119 WeakPolarHBondContact CE2-O 3.19Å; F80-F119 AromaticContact CZ-CD1 3.89Å; F80-F119 HydrophobicContact CZ-CD1 3.89Å; F80-F119 AromaticContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CG 4.37Å; F80-F119 HydrophobicContact CZ-CZ 4.08Å; F80-F119 VanDerWaalsContact CZ-O 3.28Å; F80-F119 WeakPolarHBondContact CZ-O 3.29Å; P81-F119 HydrophobicContact CG-CZ 4.12Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.85Å; L116-F119 PolarHBondContact O-N 2.83Å; A117-F119 PolarHBondContact O-N 3.31Å; F119-Y122 HydrophobicContact CD2-CD1 4.47Å; F119-Y122 HydrophobicContact CE2-CD1 4.5Å; F119-Y122 PolarHBondContact O-N 3.35Å; F119-G123 PolarHBondContact O-N 3.5Å; F119-G123 VanDerWaalsContact O-N 3.08Å |
| 120 | Q | 95 | Very high | 86.7 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 174 | -75 | 172.3 | -18.3 | 0 | 0 | 112.1 | L116 A117 Y122 G123 N124 | L116-Q120 WeakPolarHBondContact O-CB 3.23Å; L116-Q120 WeakPolarHBondContact O-CG 3.24Å; L116-Q120 PolarHBondContact O-N 3.45Å; A117-Q120 PolarHBondContact O-N 3.46Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Q120-Y122 PolarHBondContact O-N 3.03Å; Q120-G123 PolarHBondContact O-N 3.32Å; Q120-N124 PolarHBondContact O-N 3.04Å |
| 121 | K | 95.6 | Very high | 84.3 | Confident | 140 Ų | 140 | 79.7 Ų | 79.7 | 61% | 0.609 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.1 | -48.5 | 175.2 | -177.5 | -178.8 | 176.2 | -177.5 | 0 | 111.3 | A117 A118 G123 N124 D125 | A117-K121 PolarHBondContact O-N 3.13Å; A118-K121 PolarHBondContact O-N 3.15Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.19Å; K121-N124 PolarHBondContact O-N 2.81Å; K121-N124 VanDerWaalsContact O-N 3.11Å; K121-D125 PolarHBondContact O-N 3.08Å |
| 122 | Y | 93.3 | Very high | 81.9 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.3 | -44.5 | 175.2 | 168.9 | -103.8 | 0 | 0 | 0 | 112.4 | W62 T68 F80 A118 F119 Q120 N124 D125 Q126 | W62-Y122 AromaticContact CE2-CD1 3.95Å; W62-Y122 AromaticContact CE2-CG 3.97Å; W62-Y122 HydrophobicContact CH2-CD2 4.35Å; W62-Y122 HydrophobicContact CH2-CG 4.05Å; W62-Y122 AromaticContact CZ2-CD1 3.94Å; W62-Y122 HydrophobicContact CZ2-CD1 3.94Å; W62-Y122 AromaticContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CE1 4.38Å; W62-Y122 HydrophobicContact CZ2-CE2 4.03Å; W62-Y122 AromaticContact CZ2-CG 3.47Å; W62-Y122 HydrophobicContact CZ2-CG 3.47Å; W62-Y122 VanDerWaalsContact CZ2-CG 3.47Å; W62-Y122 AromaticContact NE1-CD1 3.97Å; W62-Y122 AromaticContact NE1-CE1 3.66Å; W62-Y122 AromaticContact NE1-CZ 3.73Å; T68-Y122 HydrophobicContact CG2-CE1 4.48Å; T68-Y122 VanDerWaalsContact CG2-OH 3.24Å; T68-Y122 WeakPolarHBondContact CG2-OH 3.37Å; F80-Y122 HydrophobicContact CD2-CD1 4.16Å; F80-Y122 HydrophobicContact CD2-CE1 4.42Å; F80-Y122 HydrophobicContact CE2-CD1 4.09Å; A118-Y122 PolarHBondContact O-N 3.18Å; F119-Y122 HydrophobicContact CD2-CD1 4.47Å; F119-Y122 HydrophobicContact CE2-CD1 4.5Å; F119-Y122 PolarHBondContact O-N 3.35Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Q120-Y122 PolarHBondContact O-N 3.03Å; Y122-N124 PolarHBondContact O-N 3.38Å; Y122-D125 PolarHBondContact O-N 3.11Å; Y122-Q126 WeakPolarHBondContact O-CG 3.3Å; Y122-Q126 PolarHBondContact O-N 2.99Å; Y122-Q126 PolarHBondContact OH-NE2 3.31Å |
| 123 | G | 92.1 | Very high | 79.4 | Confident | 2 Ų | 2 | 87.2 Ų | 87.2 | 2% | 0.021 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F80 F119 Q120 K121 D125 Q126 | F80-G123 VanDerWaalsContact CE2-CA 3.43Å; F80-G123 VanDerWaalsContact CG-CA 3.43Å; F119-G123 PolarHBondContact O-N 3.5Å; F119-G123 VanDerWaalsContact O-N 3.08Å; Q120-G123 PolarHBondContact O-N 3.32Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.19Å; G123-D125 VanDerWaalsContact C-N 3.34Å; G123-Q126 PolarHBondContact O-N 3.48Å |
| 124 | N | 90.3 | Very high | 76.9 | Confident | 110 Ų | 110 | 86.2 Ų | 86.2 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | 176.5 | -70.1 | -12.6 | 0 | 0 | 0 | 111.8 | Q120 K121 Y122 Q126 I127 | Q120-N124 PolarHBondContact O-N 3.04Å; K121-N124 PolarHBondContact O-N 2.81Å; K121-N124 VanDerWaalsContact O-N 3.11Å; Y122-N124 PolarHBondContact O-N 3.38Å; N124-Q126 PolarHBondContact O-N 2.95Å; N124-I127 PolarHBondContact O-N 3.29Å |
| 125 | D | 89.9 | Confident | 74.6 | Confident | 116 Ų | 116 | 91.8 Ų | 91.8 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.7 | -20.1 | 178.7 | -64.2 | -22 | 0 | 0 | 0 | 112.5 | K121 Y122 G123 | K121-D125 PolarHBondContact O-N 3.08Å; Y122-D125 PolarHBondContact O-N 3.11Å; G123-D125 VanDerWaalsContact C-N 3.34Å |
| 126 | Q | 78.6 | Confident | 71.9 | Confident | 80 Ų | 80 | 95.3 Ų | 95.3 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.7 | 176.6 | -73.1 | -164.7 | -16.7 | 0 | 0 | 114.7 | Y122 G123 N124 P128 | Y122-Q126 WeakPolarHBondContact O-CG 3.3Å; Y122-Q126 PolarHBondContact O-N 2.99Å; Y122-Q126 PolarHBondContact OH-NE2 3.31Å; G123-Q126 PolarHBondContact O-N 3.48Å; N124-Q126 PolarHBondContact O-N 2.95Å; Q126-P128 VanDerWaalsContact O-CD 3.23Å; Q126-P128 WeakPolarHBondContact O-CD 3.23Å |
| 127 | I | 65.1 | Low | 69.6 | Low | 112 Ų | 112 | 100.5 Ų | 100.5 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -70.2 | 116.1 | 172.8 | -58.3 | 173.5 | 0 | 0 | 0 | 105.6 | N124 L129 | N124-I127 PolarHBondContact O-N 3.29Å; I127-L129 PolarHBondContact O-N 3.32Å |
| 128 | P | 56.5 | Low | 67.1 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | trans | -54.9 | 119 | 173.3 | -19.2 | 31.1 | 0 | 0 | 0 | 106.4 | Q126 A130 | Q126-P128 VanDerWaalsContact O-CD 3.23Å; Q126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-A130 VanDerWaalsContact C-N 3.31Å; P128-A130 PolarHBondContact O-N 2.83Å | ||
| 129 | L | 53.8 | Low | 64.9 | Low | 162 Ų | 162 | 111.9 Ų | 111.9 | 85% | 0.848 | 60% | 0.603 | S | S | * | * | trans | -52.3 | 111.3 | 161.7 | -80.4 | 98.1 | 0 | 0 | 0 | 104.2 | I127 P131 | I127-L129 PolarHBondContact O-N 3.32Å; L129-P131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | A | 48.3 | Very low | 62.2 | Low | 80 Ų | 80 | 120 Ų | 120 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | trans | -46 | 128.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | P128 N132 | P128-A130 VanDerWaalsContact C-N 3.31Å; P128-A130 PolarHBondContact O-N 2.83Å; A130-N132 VanDerWaalsContact C-N 3.32Å; A130-N132 PolarHBondContact O-N 3.16Å | ||
| 131 | P | 44.6 | Very low | 59.9 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | trans | -58 | 107.4 | -178.4 | 21.7 | -29.2 | 0 | 0 | 0 | 105.8 | L129 T133 | L129-P131 VanDerWaalsContact O-N 3.12Å; P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.08Å | ||
| 132 | N | 44.2 | Very low | 57.4 | Low | 151 Ų | 151 | 116.4 Ų | 116.4 | 81% | 0.807 | 67% | 0.671 | S | S | * | * | trans | -64.8 | 104.8 | 172.1 | -157.9 | 0.4 | 0 | 0 | 0 | 102.9 | A130 G134 | A130-N132 VanDerWaalsContact C-N 3.32Å; A130-N132 PolarHBondContact O-N 3.16Å; N132-G134 PolarHBondContact O-N 3.06Å | ||
| 133 | T | 44.8 | Very low | 55.5 | Low | 142 Ų | 142 | 116.2 Ų | 116.2 | 87% | 0.871 | 69% | 0.687 | S | S | * | * | trans | -70.3 | 53.6 | 169.2 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | P131 | P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.08Å | ||
| 134 | G | 44.1 | Very low | 53.8 | Low | 48 Ų | 48 | 126.1 Ų | 126.1 | 50% | 0.495 | 73% | 0.73 | S | S | . | * | trans | -95.5 | 110.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | N132 A136 | N132-G134 PolarHBondContact O-N 3.06Å; G134-A136 PolarHBondContact O-N 2.86Å | ||
| 135 | R | 47.7 | Very low | 52.2 | Low | 257 Ų | 257 | 129.9 Ų | 129.9 | 97% | 0.97 | 74% | 0.741 | S | S | * | * | trans | -47 | 98.6 | 167.8 | -79.9 | 171.7 | 142 | 126.3 | -6.5 | 109.9 | ||||
| 136 | A | 40 | Very low | 51 | Low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | -95.1 | 92.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | G134 Q138 | G134-A136 PolarHBondContact O-N 2.86Å; A136-Q138 PolarHBondContact O-N 2.9Å; A136-Q138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | N | 48.6 | Very low | 50.1 | Low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -67.2 | 99 | 164.4 | -176.3 | 18.6 | 0 | 0 | 0 | 107.6 | ||||
| 138 | Q | 45.4 | Very low | 50.5 | Low | 159 Ų | 159 | 126.7 Ų | 126.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -119.8 | 87.6 | 165.7 | -81.8 | -175.7 | 9.9 | 0 | 0 | 108.9 | A136 M140 | A136-Q138 PolarHBondContact O-N 2.9Å; A136-Q138 VanDerWaalsContact O-N 3.09Å; Q138-M140 PolarHBondContact O-N 2.73Å; Q138-M140 VanDerWaalsContact O-N 3.11Å | ||
| 139 | Q | 48.7 | Very low | 51.2 | Low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -68.4 | 93.7 | 160.6 | -173.7 | 163.7 | -22.7 | 0 | 0 | 108.2 | ||||
| 140 | M | 40.3 | Very low | 52.2 | Low | 170 Ų | 170 | 122.6 Ų | 122.6 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | trans | -84.2 | 119.6 | 166.7 | -86.9 | -95.7 | -162.7 | 0 | 0 | 108.6 | Q138 | Q138-M140 PolarHBondContact O-N 2.73Å; Q138-M140 VanDerWaalsContact O-N 3.11Å | ||
| 141 | G | 46 | Very low | 53.6 | Low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | trans | -77.3 | 152.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 142 | G | 42.8 | Very low | 55.5 | Low | 83 Ų | 83 | 121.1 Ų | 121.1 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | trans | 178.6 | 109.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 143 | G | 53.5 | Low | 57.3 | Low | 55 Ų | 55 | 117.5 Ų | 117.5 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | trans | 119.3 | 109.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | F145 | G143-F145 PolarHBondContact O-N 2.67Š| ||
| 144 | F | 57.1 | Low | 59.2 | Low | 210 Ų | 210 | 112.4 Ų | 112.4 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -69.7 | 39 | 174.7 | -81.8 | -96.2 | 0 | 0 | 0 | 114.9 | ||
| 145 | F | 57.3 | Low | 61.3 | Low | 189 Ų | 189 | 114.2 Ų | 114.2 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | trans | -137.3 | 31 | 176 | -73.1 | -79.2 | 0 | 0 | 0 | 112.8 | G143 | G143-F145 PolarHBondContact O-N 2.67Š| ||
| 146 | S | 63.8 | Low | 63.2 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.4 | 23.6 | -156.4 | -172.7 | 0 | 0 | 0 | 0 | 116.3 | T150 | S146-T150 VanDerWaalsContact O-CG2 3.32Å; S146-T150 WeakPolarHBondContact O-CG2 3.49Å; S146-T150 PolarHBondContact O-OG1 3.24Å; S146-T150 WeakPolarHBondContact OG-CG2 3.38Å |
| 147 | G | 60.4 | Low | 65.5 | Low | 53 Ų | 53 | 104.2 Ų | 104.2 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -55.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T150 A151 | G147-T150 PolarHBondContact O-OG1 3.23Å; G147-A151 WeakPolarHBondContact O-CB 3.46Å; G147-A151 PolarHBondContact O-N 3.07Å |
| 148 | V | 73.6 | Confident | 67.3 | Low | 111 Ų | 111 | 102.2 Ų | 102.2 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.4 | -41.4 | -176.5 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | T150 A151 L152 | V148-T150 PolarHBondContact O-N 3.33Å; V148-A151 PolarHBondContact O-N 3.48Å; V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 3.44Å |
| 149 | L | 70.2 | Confident | 69.2 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.5 | -38.3 | -179.4 | -168.6 | 65.9 | 0 | 0 | 0 | 112 | L152 T153 | L149-L152 PolarHBondContact O-N 3.36Å; L149-T153 WeakPolarHBondContact O-CB 3.27Å; L149-T153 VanDerWaalsContact O-CG2 3.25Å; L149-T153 WeakPolarHBondContact O-CG2 3.15Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 PolarHBondContact O-OG1 3.37Å |
| 150 | T | 75.1 | Confident | 70.8 | Confident | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.1 | -36.5 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | S146 G147 V148 T153 G154 | S146-T150 VanDerWaalsContact O-CG2 3.32Å; S146-T150 WeakPolarHBondContact O-CG2 3.49Å; S146-T150 PolarHBondContact O-OG1 3.24Å; S146-T150 WeakPolarHBondContact OG-CG2 3.38Å; G147-T150 PolarHBondContact O-OG1 3.23Å; V148-T150 PolarHBondContact O-N 3.33Å; T150-T153 WeakPolarHBondContact CA-OG1 3.3Å; T150-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 VanDerWaalsContact O-OG1 3.09Å; T150-G154 PolarHBondContact O-N 3.31Å |
| 151 | A | 78.5 | Confident | 72.7 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G147 V148 G154 V155 | G147-A151 WeakPolarHBondContact O-CB 3.46Å; G147-A151 PolarHBondContact O-N 3.07Å; V148-A151 PolarHBondContact O-N 3.48Å; A151-G154 PolarHBondContact O-N 2.89Å; A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.48Å |
| 152 | L | 84 | Confident | 74.3 | Confident | 109 Ų | 109 | 96.9 Ų | 96.9 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.8 | -41.2 | 179 | -71.2 | 175.8 | 0 | 0 | 0 | 112.1 | V148 L149 V155 A156 | V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 3.44Å; L149-L152 PolarHBondContact O-N 3.36Å; L152-V155 PolarHBondContact O-N 3.04Å; L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.34Å |
| 153 | T | 81.1 | Confident | 76 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.1 | -39.4 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | L149 T150 A156 V157 | L149-T153 WeakPolarHBondContact O-CB 3.27Å; L149-T153 VanDerWaalsContact O-CG2 3.25Å; L149-T153 WeakPolarHBondContact O-CG2 3.15Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 WeakPolarHBondContact CA-OG1 3.3Å; T150-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 VanDerWaalsContact O-OG1 3.09Å; T153-A156 PolarHBondContact O-N 3.15Å; T153-V157 WeakPolarHBondContact O-CB 3.24Å; T153-V157 VanDerWaalsContact O-CG2 3.24Å; T153-V157 WeakPolarHBondContact O-CG2 3.44Å; T153-V157 PolarHBondContact O-N 3.3Å |
| 154 | G | 85.2 | Confident | 76.8 | Confident | 35 Ų | 35 | 103.2 Ų | 103.2 | 36% | 0.361 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.1 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T150 A151 V157 V158 | T150-G154 PolarHBondContact O-N 3.31Å; A151-G154 PolarHBondContact O-N 2.89Å; G154-V157 PolarHBondContact O-N 3.13Å; G154-V158 VanDerWaalsContact O-CG2 3.31Å; G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.29Å |
| 155 | V | 88 | Confident | 77 | Confident | 87 Ų | 87 | 96.8 Ų | 96.8 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A151 L152 V157 V158 L159 | A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.48Å; L152-V155 PolarHBondContact O-N 3.04Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-V158 PolarHBondContact O-N 3.44Å; V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.26Å; V155-L159 WeakPolarHBondContact O-CB 3.3Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å |
| 156 | A | 86.8 | Confident | 77.2 | Confident | 45 Ų | 45 | 91 Ų | 91 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L152 T153 L159 L160 | L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.34Å; T153-A156 PolarHBondContact O-N 3.15Å; A156-L159 PolarHBondContact O-N 2.93Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.25Å; A156-L160 PolarHBondContact O-N 2.75Å |
| 157 | V | 88.1 | Confident | 76.8 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | T153 G154 V155 L159 L160 V161 | T153-V157 WeakPolarHBondContact O-CB 3.24Å; T153-V157 VanDerWaalsContact O-CG2 3.24Å; T153-V157 WeakPolarHBondContact O-CG2 3.44Å; T153-V157 PolarHBondContact O-N 3.3Å; G154-V157 PolarHBondContact O-N 3.13Å; V155-V157 PolarHBondContact O-N 2.91Å; V157-L159 VanDerWaalsContact C-N 3.34Å; V157-L159 PolarHBondContact O-N 2.99Å; V157-L160 PolarHBondContact O-N 3.19Å; V157-V161 HydrophobicContact CG1-CG2 4.27Å; V157-V161 WeakPolarHBondContact O-CB 3.4Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.2Å; V157-V161 PolarHBondContact O-N 3.19Å |
| 158 | V | 87.1 | Confident | 76.4 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | G154 V155 V161 Y162 | G154-V158 VanDerWaalsContact O-CG2 3.31Å; G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.29Å; V155-V158 PolarHBondContact O-N 3.44Å; V158-V161 PolarHBondContact O-N 3.44Å; V158-Y162 WeakPolarHBondContact O-CB 3.35Å; V158-Y162 PolarHBondContact O-N 3.05Å |
| 159 | L | 86.4 | Confident | 75.3 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 176.8 | -70.5 | 175.1 | 0 | 0 | 0 | 112.3 | V155 A156 V157 Y162 H163 | V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.26Å; V155-L159 WeakPolarHBondContact O-CB 3.3Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å; A156-L159 PolarHBondContact O-N 2.93Å; V157-L159 VanDerWaalsContact C-N 3.34Å; V157-L159 PolarHBondContact O-N 2.99Å; L159-Y162 PolarHBondContact O-N 3.24Å; L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.12Å |
| 160 | L | 82 | Confident | 74.4 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 175.4 | -74.1 | 171.1 | 0 | 0 | 0 | 111.6 | A156 V157 H163 W164 | A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.25Å; A156-L160 PolarHBondContact O-N 2.75Å; V157-L160 PolarHBondContact O-N 3.19Å; L160-H163 PolarHBondContact O-N 3.39Å; L160-W164 WeakPolarHBondContact O-CB 3.43Å; L160-W164 PolarHBondContact O-N 3.41Å |
| 161 | V | 79.3 | Confident | 73.1 | Confident | 81 Ų | 81 | 104.8 Ų | 104.8 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | V157 V158 H163 W164 S165 | V157-V161 HydrophobicContact CG1-CG2 4.27Å; V157-V161 WeakPolarHBondContact O-CB 3.4Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.2Å; V157-V161 PolarHBondContact O-N 3.19Å; V158-V161 PolarHBondContact O-N 3.44Å; V161-H163 VanDerWaalsContact C-N 3.34Å; V161-W164 PolarHBondContact O-N 2.98Å; V161-S165 WeakPolarHBondContact O-CA 3.39Å; V161-S165 WeakPolarHBondContact O-CB 3.36Å; V161-S165 PolarHBondContact O-N 3.07Å |
| 162 | Y | 80.6 | Confident | 71.8 | Confident | 165 Ų | 165 | 105.8 Ų | 105.8 | 65% | 0.647 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -41.9 | 175.6 | -175.1 | -98.1 | 0 | 0 | 0 | 111.1 | V158 L159 S166 | V158-Y162 WeakPolarHBondContact O-CB 3.35Å; V158-Y162 PolarHBondContact O-N 3.05Å; L159-Y162 PolarHBondContact O-N 3.24Å; Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.1Å; Y162-S166 PolarHBondContact O-OG 2.88Å |
| 163 | H | 78.5 | Confident | 70.5 | Confident | 126 Ų | 126 | 106.9 Ų | 106.9 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.6 | -34.5 | 178.5 | -168.8 | -73.2 | 0 | 0 | 0 | 112.5 | L159 L160 V161 R167 | L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.12Å; L160-H163 PolarHBondContact O-N 3.39Å; V161-H163 VanDerWaalsContact C-N 3.34Å; H163-R167 VanDerWaalsContact O-CB 3.27Å; H163-R167 WeakPolarHBondContact O-CB 3.19Å; H163-R167 PolarHBondContact O-N 2.74Å; H163-R167 VanDerWaalsContact O-N 3.12Å |
| 164 | W | 68.9 | Low | 69.3 | Low | 146 Ų | 146 | 104.8 Ų | 104.8 | 55% | 0.553 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71 | -45.6 | 173.7 | -177.2 | 59.4 | 0 | 0 | 0 | 110.9 | L160 V161 S166 R167 E168 | L160-W164 WeakPolarHBondContact O-CB 3.43Å; L160-W164 PolarHBondContact O-N 3.41Å; V161-W164 PolarHBondContact O-N 2.98Å; W164-S166 VanDerWaalsContact C-N 3.29Å; W164-S166 PolarHBondContact O-N 3.21Å; W164-R167 CarbonylContact O-C 3.46Å; W164-R167 WeakPolarHBondContact O-CA 3.19Å; W164-R167 PolarHBondContact O-N 2.83Å; W164-E168 VanDerWaalsContact CE2-OE2 3.27Å; W164-E168 HydrophobicContact CZ2-CG 4.4Å; W164-E168 WeakPolarHBondContact CZ2-OE2 3.32Å; W164-E168 PolarHBondContact NE1-OE2 2.6Å; W164-E168 WeakPolarHBondContact O-CB 3.47Å; W164-E168 PolarHBondContact O-N 3.05Å |
| 165 | S | 63.1 | Low | 68.1 | Low | 74 Ų | 74 | 108.2 Ų | 108.2 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -35 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | V161 R167 | V161-S165 WeakPolarHBondContact O-CA 3.39Å; V161-S165 WeakPolarHBondContact O-CB 3.36Å; V161-S165 PolarHBondContact O-N 3.07Å; S165-R167 PolarHBondContact O-N 2.8Å |
| 166 | S | 61.3 | Low | 66.8 | Low | 68 Ų | 68 | 111.5 Ų | 111.5 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -13.1 | 172.5 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | Y162 W164 | Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.1Å; Y162-S166 PolarHBondContact O-OG 2.88Å; W164-S166 VanDerWaalsContact C-N 3.29Å; W164-S166 PolarHBondContact O-N 3.21Å |
| 167 | R | 55.2 | Low | 66.2 | Low | 198 Ų | 198 | 112.3 Ų | 112.3 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -17.8 | 177.5 | -161.6 | 169 | 85.6 | 163.4 | 5.3 | 113.3 | H163 W164 S165 | H163-R167 VanDerWaalsContact O-CB 3.27Å; H163-R167 WeakPolarHBondContact O-CB 3.19Å; H163-R167 PolarHBondContact O-N 2.74Å; H163-R167 VanDerWaalsContact O-N 3.12Å; W164-R167 CarbonylContact O-C 3.46Å; W164-R167 WeakPolarHBondContact O-CA 3.19Å; W164-R167 PolarHBondContact O-N 2.83Å; S165-R167 PolarHBondContact O-N 2.8Å |
| 168 | E | 52.3 | Low | 65.6 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 40% | 0.402 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -105.8 | 16.6 | -176.8 | -155.3 | 91.2 | -135.8 | 0 | 0 | 112.7 | W164 E170 | W164-E168 VanDerWaalsContact CE2-OE2 3.27Å; W164-E168 HydrophobicContact CZ2-CG 4.4Å; W164-E168 WeakPolarHBondContact CZ2-OE2 3.32Å; W164-E168 PolarHBondContact NE1-OE2 2.6Å; W164-E168 WeakPolarHBondContact O-CB 3.47Å; W164-E168 PolarHBondContact O-N 3.05Å; E168-E170 PolarHBondContact O-N 3.07Å |
| 169 | S | 49.9 | Very low | 65.2 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 24.4 | -171.2 | 79.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 170 | E | 50.9 | Low | 65 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 78% | 0.776 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | -9.2 | 178.2 | -101 | -162.9 | 114.8 | 0 | 0 | 117.9 | E168 | E168-E170 PolarHBondContact O-N 3.07Š|
| 171 | H | 48.2 | Very low | 65 | Low | 174 Ų | 174 | 109.2 Ų | 109.2 | 81% | 0.806 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 5.6 | -175.6 | -69.5 | -37.9 | 0 | 0 | 0 | 118.2 | ||
| 172 | D | 51.1 | Low | 65.3 | Low | 78 Ų | 78 | 106.9 Ų | 106.9 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | trans | -115.1 | 21.8 | -171.2 | -116.5 | -7.5 | 0 | 0 | 0 | 116.2 | L174 | D172-L174 PolarHBondContact O-N 3.39Š| ||
| 173 | L | 55.9 | Low | 65.6 | Low | 132 Ų | 132 | 101.8 Ų | 101.8 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76.3 | -20.7 | -175.5 | -97.9 | 138.6 | 0 | 0 | 0 | 115.2 | ||
| 174 | L | 55.9 | Low | 65.9 | Low | 32 Ų | 32 | 96.2 Ų | 96.2 | 17% | 0.168 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -88.8 | -26.7 | -172.8 | -63.9 | 176.9 | 0 | 0 | 0 | 114.2 | D172 W182 E186 L189 | D172-L174 PolarHBondContact O-N 3.39Å; L174-W182 WeakPolarHBondContact O-CZ2 3.5Å; L174-E186 HydrophobicContact CD2-CB 3.68Å; L174-E186 HydrophobicContact CD2-CG 3.79Å; L174-L189 HydrophobicContact CD1-CB 3.69Å |
| 175 | V | 59.6 | Low | 66.7 | Low | 107 Ų | 107 | 94.6 Ų | 94.6 | 65% | 0.648 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -79.4 | -27.6 | -176.9 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 176 | H | 62.3 | Low | 67.8 | Low | 156 Ų | 156 | 92.6 Ų | 92.6 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -96.2 | -15 | -174.5 | -68.5 | 35.6 | 0 | 0 | 0 | 113 | ||
| 177 | K | 73.4 | Confident | 69 | Low | 61 Ų | 61 | 89.9 Ų | 89.9 | 27% | 0.265 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -83 | 121.7 | 175.2 | -162.9 | 179.9 | -168.7 | -172 | 0 | 109 | V179 K181 W182 E186 | K177-V179 PolarHBondContact O-N 2.95Å; K177-K181 WeakPolarHBondContact CE-O 3.48Å; K177-K181 HydrophobicContact CG-CB 4.23Å; K177-K181 PolarHBondContact NZ-O 3.37Å; K177-K181 VanDerWaalsContact NZ-O 3.11Å; K177-W182 PolarHBondContact O-NE1 3.29Å; K177-E186 WeakPolarHBondContact CD-OE1 3.48Å; K177-E186 WeakPolarHBondContact CD-OE2 3.4Å; K177-E186 IonicContact NZ-OE1 2.67Å; K177-E186 PolarHBondContact NZ-OE1 2.88Å; K177-E186 IonicContact NZ-OE2 2.64Å; K177-E186 PolarHBondContact NZ-OE2 2.87Å |
| 178 | A | 75.9 | Confident | 70.5 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | trans | -57.5 | 135.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A180 K181 W182 | A178-A180 PolarHBondContact O-N 2.99Å; A178-A180 VanDerWaalsContact O-N 3.1Å; A178-K181 WeakPolarHBondContact O-CB 3.08Å; A178-K181 PolarHBondContact O-N 3.33Å; A178-W182 VanDerWaalsContact O-CD1 3.27Å | ||
| 179 | V | 79.4 | Confident | 72.1 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -50.3 | -40.6 | -176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | K177 K181 W182 G212 | K177-V179 PolarHBondContact O-N 2.95Å; V179-K181 PolarHBondContact O-N 3.16Å; V179-W182 HydrophobicContact CB-CD2 4.48Å; V179-W182 HydrophobicContact CG1-CD2 4.39Å; V179-W182 HydrophobicContact CG1-CE3 4.44Å; V179-W182 HydrophobicContact CG2-CD2 4.45Å; V179-W182 HydrophobicContact CG2-CH2 4.3Å; V179-W182 HydrophobicContact CG2-CZ2 3.95Å; V179-W182 VanDerWaalsContact O-CB 3.32Å; V179-W182 WeakPolarHBondContact O-CB 3.12Å; V179-W182 PolarHBondContact O-N 3.42Å; V179-G212 CarbonylContact C-O 3.53Å; V179-G212 CarbonylContact O-C 3.59Å; V179-G212 WeakPolarHBondContact O-CA 3.32Å |
| 180 | A | 80.5 | Confident | 73.9 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -58.5 | -9.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A178 G212 R213 | A178-A180 PolarHBondContact O-N 2.99Å; A178-A180 VanDerWaalsContact O-N 3.1Å; A180-G212 WeakPolarHBondContact CA-O 3.22Å; A180-R213 WeakPolarHBondContact O-CG 3.39Å; A180-R213 PolarHBondContact O-NE 3.37Å |
| 181 | K | 82.5 | Confident | 75.5 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -112.2 | 2.8 | 177.3 | -61.7 | -177.5 | 179.4 | 178.4 | 0 | 112.9 | K177 A178 V179 | K177-K181 WeakPolarHBondContact CE-O 3.48Å; K177-K181 HydrophobicContact CG-CB 4.23Å; K177-K181 PolarHBondContact NZ-O 3.37Å; K177-K181 VanDerWaalsContact NZ-O 3.11Å; A178-K181 WeakPolarHBondContact O-CB 3.08Å; A178-K181 PolarHBondContact O-N 3.33Å; V179-K181 PolarHBondContact O-N 3.16Å |
| 182 | W | 85.3 | Confident | 77.2 | Confident | 31 Ų | 31 | 70 Ų | 70 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | trans | -68.4 | 138.1 | -178.7 | -70.9 | 11 | 0 | 0 | 0 | 110.6 | L174 K177 A178 V179 E186 V187 W190 N211 G212 | L174-W182 WeakPolarHBondContact O-CZ2 3.5Å; K177-W182 PolarHBondContact O-NE1 3.29Å; A178-W182 VanDerWaalsContact O-CD1 3.27Å; V179-W182 HydrophobicContact CB-CD2 4.48Å; V179-W182 HydrophobicContact CG1-CD2 4.39Å; V179-W182 HydrophobicContact CG1-CE3 4.44Å; V179-W182 HydrophobicContact CG2-CD2 4.45Å; V179-W182 HydrophobicContact CG2-CH2 4.3Å; V179-W182 HydrophobicContact CG2-CZ2 3.95Å; V179-W182 VanDerWaalsContact O-CB 3.32Å; V179-W182 WeakPolarHBondContact O-CB 3.12Å; V179-W182 PolarHBondContact O-N 3.42Å; W182-E186 WeakPolarHBondContact CA-OE2 3.37Å; W182-E186 HydrophobicContact CB-CB 4.38Å; W182-V187 HydrophobicContact CB-CG2 4.1Å; W182-V187 HydrophobicContact CE3-CG2 3.93Å; W182-W190 HydrophobicContact CH2-CB 4.08Å; W182-W190 AromaticContact CH2-CD1 3.84Å; W182-W190 HydrophobicContact CH2-CD2 4.3Å; W182-W190 AromaticContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CZ3-CB 3.75Å; W182-W190 AromaticContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CE3 4.38Å; W182-W190 AromaticContact CZ3-CG 3.67Å; W182-W190 HydrophobicContact CZ3-CG 3.67Å; W182-N211 WeakPolarHBondContact O-CB 3.44Å; W182-G212 PolarHBondContact O-N 3.35Å | ||
| 183 | T | 86.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | trans | -85.1 | 169.1 | 167.9 | 75.7 | 0 | 0 | 0 | 0 | 110.2 | E185 E186 V187 | T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 2.8Å; T183-E186 PolarHBondContact N-OE2 3.06Å; T183-E186 PolarHBondContact O-N 2.78Å; T183-E186 PolarHBondContact OG1-N 3.42Å; T183-V187 WeakPolarHBondContact O-CG2 3.04Å; T183-V187 PolarHBondContact O-N 2.87Å | ||
| 184 | A | 86.3 | Confident | 80 | Confident | 9 Ų | 9 | 70 Ų | 70 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V188 V210 | A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.16Å; A184-V210 VanDerWaalsContact CA-O 3.25Å; A184-V210 WeakPolarHBondContact CA-O 3.32Å; A184-V210 WeakPolarHBondContact CB-O 3.27Å |
| 185 | E | 85.1 | Confident | 81.2 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 176.5 | -54.6 | 74.8 | -161.7 | 0 | 0 | 111.3 | T183 V188 L189 | T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 2.8Å; E185-V188 PolarHBondContact O-N 3.47Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.68Å |
| 186 | E | 85.7 | Confident | 82.5 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 15% | 0.15 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.6 | -37.9 | 177 | -69.4 | 173.1 | 151.9 | 0 | 0 | 112.4 | L174 K177 W182 T183 V188 L189 W190 | L174-E186 HydrophobicContact CD2-CB 3.68Å; L174-E186 HydrophobicContact CD2-CG 3.79Å; K177-E186 WeakPolarHBondContact CD-OE1 3.48Å; K177-E186 WeakPolarHBondContact CD-OE2 3.4Å; K177-E186 IonicContact NZ-OE1 2.67Å; K177-E186 PolarHBondContact NZ-OE1 2.88Å; K177-E186 IonicContact NZ-OE2 2.64Å; K177-E186 PolarHBondContact NZ-OE2 2.87Å; W182-E186 WeakPolarHBondContact CA-OE2 3.37Å; W182-E186 HydrophobicContact CB-CB 4.38Å; T183-E186 PolarHBondContact N-OE2 3.06Å; T183-E186 PolarHBondContact O-N 2.78Å; T183-E186 PolarHBondContact OG1-N 3.42Å; E186-V188 VanDerWaalsContact C-N 3.26Å; E186-V188 PolarHBondContact O-N 3.09Å; E186-L189 PolarHBondContact O-N 2.64Å; E186-W190 PolarHBondContact O-N 2.67Å |
| 187 | V | 86.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 171.9 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | W182 T183 W190 L191 F205 | W182-V187 HydrophobicContact CB-CG2 4.1Å; W182-V187 HydrophobicContact CE3-CG2 3.93Å; T183-V187 WeakPolarHBondContact O-CG2 3.04Å; T183-V187 PolarHBondContact O-N 2.87Å; V187-W190 PolarHBondContact O-N 3.11Å; V187-L191 HydrophobicContact CG1-CD1 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.27Å; V187-L191 PolarHBondContact O-N 3.06Å; V187-F205 HydrophobicContact CG1-CD1 3.87Å; V187-F205 HydrophobicContact CG1-CE1 4.35Å |
| 188 | V | 87.9 | Confident | 84.2 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 179.6 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | A184 E185 E186 W190 L191 E192 R202 F205 L206 | A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.16Å; E185-V188 PolarHBondContact O-N 3.47Å; E186-V188 VanDerWaalsContact C-N 3.26Å; E186-V188 PolarHBondContact O-N 3.09Å; V188-W190 VanDerWaalsContact C-N 3.25Å; V188-W190 PolarHBondContact O-N 3.5Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 2.86Å; V188-L191 VanDerWaalsContact O-N 3.13Å; V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 2.75Å; V188-R202 HydrophobicContact CG1-CG 3.78Å; V188-F205 HydrophobicContact CG2-CB 4.28Å; V188-L206 HydrophobicContact CB-CD2 4.45Å; V188-L206 HydrophobicContact CG2-CD2 3.79Å; V188-L206 HydrophobicContact CG2-CG 3.76Å |
| 189 | L | 85.5 | Confident | 84.5 | Confident | 94 Ų | 94 | 67 Ų | 67 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 172.7 | -72.8 | 169.7 | 0 | 0 | 0 | 111.8 | L174 E185 E186 | L174-L189 HydrophobicContact CD1-CB 3.69Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.68Å; E186-L189 PolarHBondContact O-N 2.64Å |
| 190 | W | 86.3 | Confident | 84.9 | Confident | 104 Ų | 104 | 70 Ų | 70 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 172.6 | 172.9 | 77.2 | 0 | 0 | 0 | 112.7 | W182 E186 V187 V188 E192 Q193 L194 | W182-W190 HydrophobicContact CH2-CB 4.08Å; W182-W190 AromaticContact CH2-CD1 3.84Å; W182-W190 HydrophobicContact CH2-CD2 4.3Å; W182-W190 AromaticContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CZ3-CB 3.75Å; W182-W190 AromaticContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CE3 4.38Å; W182-W190 AromaticContact CZ3-CG 3.67Å; W182-W190 HydrophobicContact CZ3-CG 3.67Å; E186-W190 PolarHBondContact O-N 2.67Å; V187-W190 PolarHBondContact O-N 3.11Å; V188-W190 VanDerWaalsContact C-N 3.25Å; V188-W190 PolarHBondContact O-N 3.5Å; W190-E192 PolarHBondContact O-N 3.11Å; W190-Q193 VanDerWaalsContact O-CB 3.3Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.75Å; W190-L194 HydrophobicContact CD2-CD1 4.44Å; W190-L194 HydrophobicContact CE3-CD1 4.2Å; W190-L194 HydrophobicContact CH2-CD1 3.57Å; W190-L194 HydrophobicContact CH2-CG 4.46Å; W190-L194 HydrophobicContact CZ2-CD1 3.79Å; W190-L194 HydrophobicContact CZ2-CD2 3.92Å; W190-L194 HydrophobicContact CZ2-CG 4.21Å; W190-L194 HydrophobicContact CZ3-CD1 3.77Å |
| 191 | L | 86.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 176.9 | -78.7 | 171.1 | 0 | 0 | 0 | 111.8 | V187 V188 Q193 L194 A198 F205 | V187-L191 HydrophobicContact CG1-CD1 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.27Å; V187-L191 PolarHBondContact O-N 3.06Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 2.86Å; V188-L191 VanDerWaalsContact O-N 3.13Å; L191-Q193 PolarHBondContact O-N 3.39Å; L191-L194 HydrophobicContact CD2-CD1 4.16Å; L191-L194 WeakPolarHBondContact O-CB 3.14Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-A198 HydrophobicContact CB-CB 4.45Å; L191-A198 HydrophobicContact CD2-CB 4.34Å; L191-A198 WeakPolarHBondContact O-CB 3.2Å; L191-F205 HydrophobicContact CD1-CB 4.34Å; L191-F205 HydrophobicContact CD1-CD1 3.7Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CG 3.98Å |
| 192 | E | 82.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -30.5 | 176.2 | -68 | 177.8 | -128.9 | 0 | 0 | 113.3 | V188 W190 L194 G195 R202 | V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 2.75Å; W190-E192 PolarHBondContact O-N 3.11Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.43Å; E192-G195 PolarHBondContact O-N 2.92Å; E192-R202 VanDerWaalsContact CD-CZ 3.41Å; E192-R202 VanDerWaalsContact CD-NH1 3.28Å; E192-R202 IonicContact OE1-CZ 3.37Å; E192-R202 IonicContact OE1-NH1 3.71Å; E192-R202 PolarHBondContact OE1-NH1 3.39Å; E192-R202 IonicContact OE1-NH2 3.93Å; E192-R202 PolarHBondContact OE1-NH2 2.88Å; E192-R202 IonicContact OE2-CZ 2.81Å; E192-R202 IonicContact OE2-NH1 2.6Å; E192-R202 IonicContact OE2-NH2 3.96Å; E192-R202 PolarHBondContact OE2-NH2 3.46Å |
| 193 | Q | 82.9 | Confident | 85.5 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -74.5 | -18.4 | 179.2 | -157.9 | 169 | 12.4 | 0 | 0 | 112.8 | W190 L191 G195 | W190-Q193 VanDerWaalsContact O-CB 3.3Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.75Å; L191-Q193 PolarHBondContact O-N 3.39Å; Q193-G195 VanDerWaalsContact C-N 3.27Å; Q193-G195 PolarHBondContact O-N 3.12Å |
| 194 | L | 83.7 | Confident | 85.6 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.8 | 177.9 | -60.6 | 179.3 | 0 | 0 | 0 | 113.9 | W190 L191 E192 W197 A198 | W190-L194 HydrophobicContact CD2-CD1 4.44Å; W190-L194 HydrophobicContact CE3-CD1 4.2Å; W190-L194 HydrophobicContact CH2-CD1 3.57Å; W190-L194 HydrophobicContact CH2-CG 4.46Å; W190-L194 HydrophobicContact CZ2-CD1 3.79Å; W190-L194 HydrophobicContact CZ2-CD2 3.92Å; W190-L194 HydrophobicContact CZ2-CG 4.21Å; W190-L194 HydrophobicContact CZ3-CD1 3.77Å; L191-L194 HydrophobicContact CD2-CD1 4.16Å; L191-L194 WeakPolarHBondContact O-CB 3.14Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L194 VanDerWaalsContact O-N 3.15Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.43Å; L194-W197 HydrophobicContact CB-CZ2 3.75Å; L194-W197 HydrophobicContact CD1-CH2 4.03Å; L194-W197 HydrophobicContact CD1-CZ2 3.98Å; L194-W197 HydrophobicContact CG-CZ2 4.48Å; L194-W197 PolarHBondContact O-NE1 2.82Å; L194-A198 HydrophobicContact CB-CB 4.02Å |
| 195 | G | 81.8 | Confident | 85.7 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 25% | 0.247 | 39% | 0.392 | C | S | . | . | trans | 104.7 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E192 Q193 W197 A198 | E192-G195 PolarHBondContact O-N 2.92Å; Q193-G195 VanDerWaalsContact C-N 3.27Å; Q193-G195 PolarHBondContact O-N 3.12Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.4Å; G195-W197 VanDerWaalsContact O-N 3.08Å; G195-A198 PolarHBondContact O-N 3.47Å | ||
| 196 | P | 85.7 | Confident | 85.9 | Confident | 118 Ų | 118 | 80.5 Ų | 80.5 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -58.9 | -30 | -166 | -27.1 | 35 | 0 | 0 | 0 | 115.2 | A198 S199 | P196-A198 VanDerWaalsContact C-N 3.25Å; P196-A198 PolarHBondContact O-N 2.66Å; P196-S199 WeakPolarHBondContact O-CB 3.17Å; P196-S199 PolarHBondContact O-N 2.8Å; P196-S199 PolarHBondContact O-OG 2.76Å |
| 197 | W | 87.6 | Confident | 86.1 | Confident | 152 Ų | 152 | 83.3 Ų | 83.3 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -64.2 | -29.1 | 179.8 | 68.3 | -93.5 | 0 | 0 | 0 | 112.9 | L194 G195 Y201 | L194-W197 HydrophobicContact CB-CZ2 3.75Å; L194-W197 HydrophobicContact CD1-CH2 4.03Å; L194-W197 HydrophobicContact CD1-CZ2 3.98Å; L194-W197 HydrophobicContact CG-CZ2 4.48Å; L194-W197 PolarHBondContact O-NE1 2.82Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.4Å; G195-W197 VanDerWaalsContact O-N 3.08Å; W197-Y201 HydrophobicContact CE3-CE2 4.18Å; W197-Y201 HydrophobicContact CZ3-CE2 4.13Å |
| 198 | A | 84.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -81 | -17.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L191 L194 G195 P196 L200 Y201 | L191-A198 HydrophobicContact CB-CB 4.45Å; L191-A198 HydrophobicContact CD2-CB 4.34Å; L191-A198 WeakPolarHBondContact O-CB 3.2Å; L194-A198 HydrophobicContact CB-CB 4.02Å; G195-A198 PolarHBondContact O-N 3.47Å; P196-A198 VanDerWaalsContact C-N 3.25Å; P196-A198 PolarHBondContact O-N 2.66Å; A198-L200 PolarHBondContact O-N 3.31Å; A198-L200 VanDerWaalsContact O-N 3.16Å; A198-Y201 PolarHBondContact O-N 2.8Å |
| 199 | S | 81.9 | Confident | 86.3 | Confident | 62 Ų | 62 | 97 Ų | 97 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -60 | -27 | -179.9 | 67 | 0 | 0 | 0 | 0 | 113.6 | P196 Y201 R202 | P196-S199 WeakPolarHBondContact O-CB 3.17Å; P196-S199 PolarHBondContact O-N 2.8Å; P196-S199 PolarHBondContact O-OG 2.76Å; S199-Y201 PolarHBondContact O-N 2.82Å; S199-R202 VanDerWaalsContact O-CB 3.27Å; S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.49Å |
| 200 | L | 88.4 | Confident | 86.3 | Confident | 144 Ų | 144 | 94.7 Ų | 94.7 | 75% | 0.754 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.6 | 177.1 | -66.3 | 169.4 | 0 | 0 | 0 | 113.2 | A198 | A198-L200 PolarHBondContact O-N 3.31Å; A198-L200 VanDerWaalsContact O-N 3.16Å |
| 201 | Y | 85.9 | Confident | 86.4 | Confident | 109 Ų | 109 | 93.1 Ų | 93.1 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -93.4 | -9.7 | -177.9 | -59.5 | -79.3 | 0 | 0 | 0 | 113.1 | W197 A198 S199 R204 F205 | W197-Y201 HydrophobicContact CE3-CE2 4.18Å; W197-Y201 HydrophobicContact CZ3-CE2 4.13Å; A198-Y201 PolarHBondContact O-N 2.8Å; S199-Y201 PolarHBondContact O-N 2.82Å; Y201-R204 PolarHBondContact O-N 3.49Å; Y201-F205 HydrophobicContact CD1-CE2 4.33Å; Y201-F205 HydrophobicContact CG-CE2 4.49Å; Y201-F205 WeakPolarHBondContact O-CB 3.38Å; Y201-F205 VanDerWaalsContact O-CD2 3.24Å; Y201-F205 WeakPolarHBondContact O-CD2 3.29Å; Y201-F205 PolarHBondContact O-N 2.84Å |
| 202 | R | 86.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 93.6 Ų | 93.6 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.1 | -60 | -175.4 | 174.3 | -167 | -65.3 | -85.1 | 13.1 | 113 | V188 E192 S199 R204 F205 L206 | V188-R202 HydrophobicContact CG1-CG 3.78Å; E192-R202 VanDerWaalsContact CD-CZ 3.41Å; E192-R202 VanDerWaalsContact CD-NH1 3.28Å; E192-R202 IonicContact OE1-CZ 3.37Å; E192-R202 IonicContact OE1-NH1 3.71Å; E192-R202 PolarHBondContact OE1-NH1 3.39Å; E192-R202 IonicContact OE1-NH2 3.93Å; E192-R202 PolarHBondContact OE1-NH2 2.88Å; E192-R202 IonicContact OE2-CZ 2.81Å; E192-R202 IonicContact OE2-NH1 2.6Å; E192-R202 IonicContact OE2-NH2 3.96Å; E192-R202 PolarHBondContact OE2-NH2 3.46Å; S199-R202 VanDerWaalsContact O-CB 3.27Å; S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.49Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.93Å; R202-F205 PolarHBondContact O-N 3.46Å; R202-L206 HydrophobicContact CG-CD1 4.2Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.36Å |
| 203 | E | 88.2 | Confident | 85.9 | Confident | 165 Ų | 165 | 102 Ų | 102 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | -173.9 | -68.4 | -165.9 | 171 | 0 | 0 | 111 | L206 S207 | E203-L206 PolarHBondContact O-N 2.87Å; E203-S207 VanDerWaalsContact O-CB 3.3Å; E203-S207 WeakPolarHBondContact O-CB 3.2Å; E203-S207 PolarHBondContact O-N 3.29Å; E203-S207 PolarHBondContact O-OG 2.98Å |
| 204 | R | 87.7 | Confident | 86.1 | Confident | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.4 | -48.7 | 178.2 | -171 | 171.9 | -175.9 | 172.2 | 0.4 | 111.5 | Y201 R202 L206 S207 E208 | Y201-R204 PolarHBondContact O-N 3.49Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.93Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.35Å; R204-S207 WeakPolarHBondContact CA-OG 3.31Å; R204-S207 PolarHBondContact O-N 3.03Å; R204-S207 PolarHBondContact O-OG 2.91Å; R204-E208 HydrophobicContact CG-CG 4.44Å; R204-E208 WeakPolarHBondContact CG-OE1 3.34Å; R204-E208 IonicContact CZ-OE1 3.18Å; R204-E208 IonicContact NE-OE1 3.78Å; R204-E208 PolarHBondContact NE-OE1 2.73Å; R204-E208 IonicContact NH2-OE1 2.85Å; R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.48Å; R204-E208 PolarHBondContact O-N 3.46Å |
| 205 | F | 89.9 | Confident | 86.2 | Confident | 54 Ų | 54 | 101.8 Ų | 101.8 | 24% | 0.237 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | -178.9 | -84.8 | -128.8 | 0 | 0 | 0 | 112.3 | V187 V188 L191 Y201 R202 R209 V210 | V187-F205 HydrophobicContact CG1-CD1 3.87Å; V187-F205 HydrophobicContact CG1-CE1 4.35Å; V188-F205 HydrophobicContact CG2-CB 4.28Å; L191-F205 HydrophobicContact CD1-CB 4.34Å; L191-F205 HydrophobicContact CD1-CD1 3.7Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CG 3.98Å; Y201-F205 HydrophobicContact CD1-CE2 4.33Å; Y201-F205 HydrophobicContact CG-CE2 4.49Å; Y201-F205 WeakPolarHBondContact O-CB 3.38Å; Y201-F205 VanDerWaalsContact O-CD2 3.24Å; Y201-F205 WeakPolarHBondContact O-CD2 3.29Å; Y201-F205 PolarHBondContact O-N 2.84Å; R202-F205 PolarHBondContact O-N 3.46Å; F205-R209 WeakPolarHBondContact O-CA 3.46Å; F205-R209 PolarHBondContact O-N 2.96Å; F205-V210 HydrophobicContact CB-CB 4.23Å; F205-V210 HydrophobicContact CB-CG2 4.36Å; F205-V210 HydrophobicContact CD1-CB 3.69Å; F205-V210 HydrophobicContact CD1-CG1 3.66Å; F205-V210 HydrophobicContact CD1-CG2 4.11Å; F205-V210 HydrophobicContact CE1-CB 4.27Å; F205-V210 HydrophobicContact CE1-CG1 3.77Å; F205-V210 HydrophobicContact CG-CB 4.07Å; F205-V210 HydrophobicContact CG-CG1 4.46Å; F205-V210 HydrophobicContact CG-CG2 4.1Å; F205-V210 PolarHBondContact O-N 3.34Å |
| 206 | L | 87.9 | Confident | 86.4 | Confident | 75 Ų | 75 | 106.2 Ų | 106.2 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 171.2 | -73.4 | 173.7 | 0 | 0 | 0 | 111.8 | V188 R202 E203 R204 E208 R209 | V188-L206 HydrophobicContact CB-CD2 4.45Å; V188-L206 HydrophobicContact CG2-CD2 3.79Å; V188-L206 HydrophobicContact CG2-CG 3.76Å; R202-L206 HydrophobicContact CG-CD1 4.2Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.36Å; E203-L206 PolarHBondContact O-N 2.87Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.35Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.46Å; L206-R209 PolarHBondContact O-N 3.09Å |
| 207 | S | 90.5 | Very high | 86.5 | Confident | 90 Ų | 90 | 105.5 Ų | 105.5 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | -179.3 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | E203 R204 R209 | E203-S207 VanDerWaalsContact O-CB 3.3Å; E203-S207 WeakPolarHBondContact O-CB 3.2Å; E203-S207 PolarHBondContact O-N 3.29Å; E203-S207 PolarHBondContact O-OG 2.98Å; R204-S207 WeakPolarHBondContact CA-OG 3.31Å; R204-S207 PolarHBondContact O-N 3.03Å; R204-S207 PolarHBondContact O-OG 2.91Å; S207-R209 VanDerWaalsContact C-N 3.32Å |
| 208 | E | 90.6 | Very high | 86.4 | Confident | 109 Ų | 109 | 102.6 Ų | 102.6 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.7 | 179.3 | -66.9 | 178.3 | -167.7 | 0 | 0 | 112.3 | R204 L206 V210 | R204-E208 HydrophobicContact CG-CG 4.44Å; R204-E208 WeakPolarHBondContact CG-OE1 3.34Å; R204-E208 IonicContact CZ-OE1 3.18Å; R204-E208 IonicContact NE-OE1 3.78Å; R204-E208 PolarHBondContact NE-OE1 2.73Å; R204-E208 IonicContact NH2-OE1 2.85Å; R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.48Å; R204-E208 PolarHBondContact O-N 3.46Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.46Å; E208-V210 HydrophobicContact CB-CG2 3.87Å; E208-V210 PolarHBondContact O-N 2.87Å |
| 209 | R | 87.8 | Confident | 86.5 | Confident | 197 Ų | 197 | 109.4 Ų | 109.4 | 74% | 0.743 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 41.4 | -177.2 | -63.7 | -172.4 | 171.1 | -171.9 | -2.6 | 113.3 | F205 L206 S207 N211 | F205-R209 WeakPolarHBondContact O-CA 3.46Å; F205-R209 PolarHBondContact O-N 2.96Å; L206-R209 PolarHBondContact O-N 3.09Å; S207-R209 VanDerWaalsContact C-N 3.32Å; R209-N211 PolarHBondContact O-N 2.91Å; R209-N211 VanDerWaalsContact O-N 3.12Å; R209-N211 PolarHBondContact O-ND2 2.97Å |
| 210 | V | 86.3 | Confident | 86.9 | Confident | 44 Ų | 44 | 112.8 Ų | 112.8 | 27% | 0.267 | 52% | 0.515 | S | S | . | . | trans | -64.5 | 113.4 | -180 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | A184 F205 E208 | A184-V210 VanDerWaalsContact CA-O 3.25Å; A184-V210 WeakPolarHBondContact CA-O 3.32Å; A184-V210 WeakPolarHBondContact CB-O 3.27Å; F205-V210 HydrophobicContact CB-CB 4.23Å; F205-V210 HydrophobicContact CB-CG2 4.36Å; F205-V210 HydrophobicContact CD1-CB 3.69Å; F205-V210 HydrophobicContact CD1-CG1 3.66Å; F205-V210 HydrophobicContact CD1-CG2 4.11Å; F205-V210 HydrophobicContact CE1-CB 4.27Å; F205-V210 HydrophobicContact CE1-CG1 3.77Å; F205-V210 HydrophobicContact CG-CB 4.07Å; F205-V210 HydrophobicContact CG-CG1 4.46Å; F205-V210 HydrophobicContact CG-CG2 4.1Å; F205-V210 PolarHBondContact O-N 3.34Å; E208-V210 HydrophobicContact CB-CG2 3.87Å; E208-V210 PolarHBondContact O-N 2.87Å | ||
| 211 | N | 88.6 | Confident | 86.8 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | trans | -115.8 | -179.8 | 178.6 | 66.1 | 69.3 | 0 | 0 | 0 | 109.2 | W182 R209 R213 | W182-N211 WeakPolarHBondContact O-CB 3.44Å; R209-N211 PolarHBondContact O-N 2.91Å; R209-N211 VanDerWaalsContact O-N 3.12Å; R209-N211 PolarHBondContact O-ND2 2.97Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 WeakPolarHBondContact OD1-CB 3.38Å; N211-R213 PolarHBondContact OD1-N 3.19Å; N211-R213 VanDerWaalsContact OD1-N 3.07Å | ||
| 212 | G | 81.6 | Confident | 86.8 | Confident | 21 Ų | 21 | 110.5 Ų | 110.5 | 22% | 0.216 | 50% | 0.503 | C | S | . | . | trans | -83 | 17.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V179 A180 W182 | V179-G212 CarbonylContact C-O 3.53Å; V179-G212 CarbonylContact O-C 3.59Å; V179-G212 WeakPolarHBondContact O-CA 3.32Å; A180-G212 WeakPolarHBondContact CA-O 3.22Å; W182-G212 PolarHBondContact O-N 3.35Å | ||
| 213 | R | 75.9 | Confident | 86.8 | Confident | 264 Ų | 264 | 113.1 Ų | 113.1 | 100% | 0.996 | 52% | 0.52 | S | S | * | . | trans | -103.1 | 0 | 171.8 | -70 | -172.9 | 176.9 | -179.9 | -2.1 | 112.9 | A180 N211 | A180-R213 WeakPolarHBondContact O-CG 3.39Å; A180-R213 PolarHBondContact O-NE 3.37Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 WeakPolarHBondContact OD1-CB 3.38Å; N211-R213 PolarHBondContact OD1-N 3.19Å; N211-R213 VanDerWaalsContact OD1-N 3.07Å |
Retrieved 213 of 213 residues in 87 ms
(Link to these results)