| 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 | 81.6 | Confident | 89.3 | Confident | 148 Ų | 148 | 110.6 Ų | 110.6 | 73% | 0.729 | 59% | 0.594 | S | S | * | * | 0 | 134.5 | 0 | -76.9 | 165.1 | 143.6 | 0 | 0 | 108.3 | G6 | M1-G6 WeakPolarHBondContact CE-O 3.39Š| |||
| 2 | Y | 79.5 | Confident | 89.7 | Confident | 184 Ų | 184 | 108.5 Ų | 108.5 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | B | Isolated β-bridge | trans | -109.9 | 128.6 | 178.5 | -176.6 | -101.3 | 0 | 0 | 0 | 107.8 | G4 I5 | Y2-G4 PolarHBondContact O-N 3.15Å; Y2-G4 VanDerWaalsContact O-N 3.13Å; Y2-I5 PolarHBondContact N-O 3.42Å; Y2-I5 WeakPolarHBondContact O-CG1 3.46Å; Y2-I5 PolarHBondContact O-N 3Å |
| 3 | N | 90 | Very high | 89.9 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.9 | 33.7 | -173.8 | -61.8 | -16.2 | 0 | 0 | 0 | 115.1 | I5 | N3-I5 HydrophobicContact CB-CG1 4.41Å; N3-I5 PolarHBondContact O-N 3.31Å; N3-I5 VanDerWaalsContact O-N 3.14Å |
| 4 | G | 92.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 102.4 Ų | 102.4 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y2 | Y2-G4 PolarHBondContact O-N 3.15Å; Y2-G4 VanDerWaalsContact O-N 3.13Å |
| 5 | I | 91.5 | Very high | 90.4 | Very high | 99 Ų | 99 | 101 Ų | 101 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | B | Isolated β-bridge | trans | -108.7 | 149.7 | 177.9 | 55.9 | 168.7 | 0 | 0 | 0 | 111.4 | Y2 N3 V19 | Y2-I5 PolarHBondContact N-O 3.42Å; Y2-I5 WeakPolarHBondContact O-CG1 3.46Å; Y2-I5 PolarHBondContact O-N 3Å; N3-I5 HydrophobicContact CB-CG1 4.41Å; N3-I5 PolarHBondContact O-N 3.31Å; N3-I5 VanDerWaalsContact O-N 3.14Å; I5-V19 HydrophobicContact CD1-CG1 4.2Å |
| 6 | G | 92.2 | Very high | 90.5 | Very high | 30 Ų | 30 | 103 Ų | 103 | 31% | 0.309 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 91.4 | -173.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | M1 | M1-G6 WeakPolarHBondContact CE-O 3.39Š|
| 7 | L | 90.8 | Very high | 90.6 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | trans | -91.6 | 150.2 | 177.2 | -62.8 | 173.5 | 0 | 0 | 0 | 110.7 | T9 | L7-T9 VanDerWaalsContact C-N 3.32Š| ||
| 8 | P | 92.1 | Very high | 90.8 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -67.1 | -36.2 | 173.6 | 27 | -32.6 | 0 | 0 | 0 | 111.7 | ||
| 9 | T | 90.4 | Very high | 90.9 | Very high | 76 Ų | 76 | 100.8 Ų | 100.8 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | trans | -144.1 | 137.3 | 172.9 | 163.5 | 0 | 0 | 0 | 0 | 108.5 | L7 R11 | L7-T9 VanDerWaalsContact C-N 3.32Å; T9-R11 PolarHBondContact O-N 2.97Å; T9-R11 WeakPolarHBondContact OG1-CB 3.19Å; T9-R11 PolarHBondContact OG1-N 3.23Å | ||
| 10 | P | 88.9 | Confident | 91 | Very high | 66 Ų | 66 | 102.9 Ų | 102.9 | 43% | 0.429 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -70.9 | -17.3 | 175.9 | 28.3 | -33.5 | 0 | 0 | 0 | 112.6 | G12 S13 | P10-G12 PolarHBondContact O-N 3.15Å; P10-S13 WeakPolarHBondContact O-CB 3.5Å; P10-S13 PolarHBondContact O-N 2.81Å; P10-S13 VanDerWaalsContact O-N 3.1Å; P10-S13 PolarHBondContact O-OG 3.12Å |
| 11 | R | 93.7 | Very high | 91.1 | Very high | 226 Ų | 226 | 106.5 Ų | 106.5 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 127.6 | -178.9 | -175.4 | 174.1 | 167.5 | 79.3 | 1 | 110.1 | T9 | T9-R11 PolarHBondContact O-N 2.97Å; T9-R11 WeakPolarHBondContact OG1-CB 3.19Å; T9-R11 PolarHBondContact OG1-N 3.23Å |
| 12 | G | 94.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 104.3 Ų | 104.3 | 88% | 0.876 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.7 | -12.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P10 | P10-G12 PolarHBondContact O-N 3.15Š|
| 13 | S | 92.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -17.1 | 179.1 | 73 | 0 | 0 | 0 | 0 | 114.6 | P10 T15 | P10-S13 WeakPolarHBondContact O-CB 3.5Å; P10-S13 PolarHBondContact O-N 2.81Å; P10-S13 VanDerWaalsContact O-N 3.1Å; P10-S13 PolarHBondContact O-OG 3.12Å; S13-T15 PolarHBondContact O-N 3.49Å; S13-T15 PolarHBondContact OG-N 3.21Å; S13-T15 VanDerWaalsContact OG-N 3.16Å; S13-T15 PolarHBondContact OG-OG1 2.82Å |
| 14 | G | 93.5 | Very high | 92.4 | Very high | 86 Ų | 86 | 101 Ų | 101 | 89% | 0.887 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 9.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 15 | T | 93.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 104.7 Ų | 104.7 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -118.2 | 164 | 177.8 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | S13 G17 | S13-T15 PolarHBondContact O-N 3.49Å; S13-T15 PolarHBondContact OG-N 3.21Å; S13-T15 VanDerWaalsContact OG-N 3.16Å; S13-T15 PolarHBondContact OG-OG1 2.82Å; T15-G17 PolarHBondContact O-N 3.34Å; T15-G17 PolarHBondContact OG1-N 3.22Å |
| 16 | N | 92.1 | Very high | 92.1 | Very high | 133 Ų | 133 | 106.6 Ų | 106.6 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | trans | -73.9 | -4.5 | 173.5 | 64.4 | -2.4 | 0 | 0 | 0 | 113.6 | Y18 | N16-Y18 VanDerWaalsContact C-N 3.27Å; N16-Y18 PolarHBondContact O-N 3.03Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.03Å; N16-Y18 VanDerWaalsContact OD1-N 3.09Å | ||
| 17 | G | 92.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 108.8 Ų | 108.8 | 32% | 0.32 | 62% | 0.618 | S | S | . | * | trans | 72.8 | 12.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T15 V19 | T15-G17 PolarHBondContact O-N 3.34Å; T15-G17 PolarHBondContact OG1-N 3.22Å; G17-V19 PolarHBondContact O-N 2.93Å | ||
| 18 | Y | 93.9 | Very high | 91.3 | Very high | 162 Ų | 162 | 111.9 Ų | 111.9 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | trans | -76.9 | 121.1 | -178.4 | -177.9 | -116.7 | 0 | 0 | 0 | 111.4 | N16 Q20 | N16-Y18 VanDerWaalsContact C-N 3.27Å; N16-Y18 PolarHBondContact O-N 3.03Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.03Å; N16-Y18 VanDerWaalsContact OD1-N 3.09Å; Y18-Q20 HydrophobicContact CD1-CG 4Å; Y18-Q20 HydrophobicContact CE1-CG 3.32Å; Y18-Q20 VanDerWaalsContact CE1-NE2 3.27Å | ||
| 19 | V | 93 | Very high | 90.7 | Very high | 75 Ų | 75 | 114.9 Ų | 114.9 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | trans | -109.7 | 122.1 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | I5 G17 | I5-V19 HydrophobicContact CD1-CG1 4.2Å; G17-V19 PolarHBondContact O-N 2.93Å | ||
| 20 | Q | 92.9 | Very high | 89.6 | Confident | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 65% | 0.652 | S | S | * | * | trans | -104.1 | 147.6 | 172.7 | -70.2 | -176 | -24.1 | 0 | 0 | 110.9 | Y18 | Y18-Q20 HydrophobicContact CD1-CG 4Å; Y18-Q20 HydrophobicContact CE1-CG 3.32Å; Y18-Q20 VanDerWaalsContact CE1-NE2 3.27Å | ||
| 21 | K | 93.2 | Very high | 88.8 | Confident | 180 Ų | 180 | 124.6 Ų | 124.6 | 78% | 0.783 | 67% | 0.669 | S | S | * | * | trans | -67.2 | 135.9 | 168.7 | -178 | 178.2 | 176.4 | -179.3 | 0 | 109.1 | L23 | K21-L23 PolarHBondContact O-N 2.87Š| ||
| 22 | N | 92.2 | Very high | 87.6 | Confident | 101 Ų | 101 | 121.5 Ų | 121.5 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | trans | -70 | 112 | 172.1 | -176.3 | -0.2 | 0 | 0 | 0 | 110.2 | A24 F25 | N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 WeakPolarHBondContact OD1-CB 3.24Å; N22-A24 PolarHBondContact OD1-N 3.13Å; N22-F25 HydrophobicContact CB-CB 4.16Å; N22-F25 PolarHBondContact O-N 2.96Å | ||
| 23 | L | 93.6 | Very high | 86.6 | Confident | 166 Ų | 166 | 123.1 Ų | 123.1 | 87% | 0.869 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -19.6 | 177.4 | -63.3 | 178.1 | 0 | 0 | 0 | 113.3 | K21 F25 | K21-L23 PolarHBondContact O-N 2.87Å; L23-F25 VanDerWaalsContact C-N 3.28Å |
| 24 | A | 93.1 | Very high | 85.9 | Confident | 82 Ų | 82 | 126.3 Ų | 126.3 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -5.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N22 I26 | N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 WeakPolarHBondContact OD1-CB 3.24Å; N22-A24 PolarHBondContact OD1-N 3.13Å; A24-I26 PolarHBondContact O-N 3.32Å; A24-I26 VanDerWaalsContact O-N 3.16Å |
| 25 | F | 90.1 | Very high | 85.2 | Confident | 144 Ų | 144 | 131.2 Ų | 131.2 | 63% | 0.632 | 67% | 0.666 | S | S | * | * | trans | -76.1 | 104 | 176.1 | -177.1 | -98.1 | 0 | 0 | 0 | 110.2 | N22 L23 | N22-F25 HydrophobicContact CB-CB 4.16Å; N22-F25 PolarHBondContact O-N 2.96Å; L23-F25 VanDerWaalsContact C-N 3.28Å | ||
| 26 | I | 85.8 | Confident | 84.6 | Confident | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -86.8 | 122.8 | 169.2 | -56.8 | 173 | 0 | 0 | 0 | 107.2 | A24 N28 | A24-I26 PolarHBondContact O-N 3.32Å; A24-I26 VanDerWaalsContact O-N 3.16Å; I26-N28 PolarHBondContact O-N 3.14Å | ||
| 27 | S | 84.6 | Confident | 84.2 | Confident | 76 Ų | 76 | 131.2 Ų | 131.2 | 53% | 0.531 | 66% | 0.657 | S | S | . | * | trans | -64.8 | 125.5 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | F29 | S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact OG-CB 3.31Å; S27-F29 WeakPolarHBondContact OG-CB 3.39Å; S27-F29 PolarHBondContact OG-N 3.43Å | ||
| 28 | N | 83 | Confident | 83.9 | Confident | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -74.5 | 0.5 | 172.5 | -64.7 | -10.6 | 0 | 0 | 0 | 112.6 | I26 K30 | I26-N28 PolarHBondContact O-N 3.14Å; N28-K30 PolarHBondContact O-N 2.92Å | ||
| 29 | F | 78.2 | Confident | 83.5 | Confident | 164 Ų | 164 | 135.4 Ų | 135.4 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | trans | -69.5 | 86.8 | 173.2 | -162.4 | -94.1 | 0 | 0 | 0 | 108.5 | S27 E31 | S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact OG-CB 3.31Å; S27-F29 WeakPolarHBondContact OG-CB 3.39Å; S27-F29 PolarHBondContact OG-N 3.43Å; F29-E31 PolarHBondContact O-N 2.93Å | ||
| 30 | K | 68.9 | Low | 83 | Confident | 175 Ų | 175 | 134.7 Ų | 134.7 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | trans | -62.9 | 118.5 | 162.5 | -67.6 | -177.4 | 179.5 | -175.7 | 0 | 106.1 | N28 Q32 | N28-K30 PolarHBondContact O-N 2.92Å; K30-Q32 PolarHBondContact O-N 3.4Å | ||
| 31 | E | 70.5 | Confident | 82.6 | Confident | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -52.8 | 108.3 | 168.7 | -165.9 | 166.7 | -163.5 | 0 | 0 | 106.8 | F29 N33 | F29-E31 PolarHBondContact O-N 2.93Å; E31-N33 PolarHBondContact O-N 3.04Å; E31-N33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | Q | 68.8 | Low | 82.3 | Confident | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -66.6 | 113.7 | -178.6 | -68 | -68.2 | -13.8 | 0 | 0 | 106.5 | K30 | K30-Q32 PolarHBondContact O-N 3.4Š| ||
| 33 | N | 73 | Confident | 81.9 | Confident | 119 Ų | 119 | 131.9 Ų | 131.9 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -56.2 | 130.3 | 177.2 | -73.7 | -30.1 | 0 | 0 | 0 | 108.7 | E31 Y35 | E31-N33 PolarHBondContact O-N 3.04Å; E31-N33 VanDerWaalsContact O-N 3.09Å; N33-Y35 PolarHBondContact O-N 3.26Å | ||
| 34 | P | 77.3 | Confident | 81.3 | Confident | 114 Ų | 114 | 125.9 Ų | 125.9 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -70.5 | 1.2 | -177.4 | 27.8 | -34.2 | 0 | 0 | 0 | 113.6 | ||
| 35 | Y | 80 | Confident | 80.8 | Confident | 189 Ų | 189 | 126 Ų | 126 | 74% | 0.741 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -117.4 | 139.1 | 180 | -52.7 | -72.3 | 0 | 0 | 0 | 110.3 | N33 T37 | N33-Y35 PolarHBondContact O-N 3.26Å; Y35-T37 PolarHBondContact O-N 3.15Å |
| 36 | K | 80.6 | Confident | 80.4 | Confident | 159 Ų | 159 | 122.1 Ų | 122.1 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | trans | -63.9 | 122.6 | 173.6 | -64.7 | -179.5 | 179.7 | -178.8 | 0 | 108.6 | D40 L41 | K36-D40 HydrophobicContact CB-CB 4.22Å; K36-L41 HydrophobicContact CB-CD2 4.21Å; K36-L41 HydrophobicContact CB-CG 4.35Å; K36-L41 HydrophobicContact CD-CD2 4.26Å | ||
| 37 | T | 84.2 | Confident | 79.9 | Confident | 55 Ų | 55 | 121.2 Ų | 121.2 | 34% | 0.337 | 60% | 0.603 | S | S | . | * | trans | -68 | 161.3 | 175.4 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | Y35 E39 D40 L41 | Y35-T37 PolarHBondContact O-N 3.15Å; T37-E39 PolarHBondContact O-N 3.45Å; T37-E39 VanDerWaalsContact O-N 3.16Å; T37-D40 PolarHBondContact N-OD2 2.96Å; T37-D40 VanDerWaalsContact N-OD2 3.09Å; T37-D40 WeakPolarHBondContact O-CB 3.47Å; T37-D40 PolarHBondContact O-N 3.17Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; T37-L41 PolarHBondContact O-N 3.47Å | ||
| 38 | E | 85.4 | Confident | 79.5 | Confident | 145 Ų | 145 | 122.2 Ų | 122.2 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -55.8 | -31.7 | 174.1 | -67.6 | -170.2 | 177.2 | 0 | 0 | 112.1 | L41 K42 | E38-L41 PolarHBondContact O-N 3.37Å; E38-K42 WeakPolarHBondContact O-CB 3.19Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 3.13Å |
| 39 | E | 84.7 | Confident | 79.1 | Confident | 135 Ų | 135 | 122 Ų | 122 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 175 | -61.3 | -173.8 | 172.7 | 0 | 0 | 111.9 | T37 K42 R43 | T37-E39 PolarHBondContact O-N 3.45Å; T37-E39 VanDerWaalsContact O-N 3.16Å; E39-K42 PolarHBondContact O-N 3.45Å; E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.21Å |
| 40 | D | 84.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 119.7 Ų | 119.7 | 32% | 0.321 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.7 | -37 | 177.1 | -60.6 | -43.8 | 0 | 0 | 0 | 111.8 | K36 T37 R43 A44 | K36-D40 HydrophobicContact CB-CB 4.22Å; T37-D40 PolarHBondContact N-OD2 2.96Å; T37-D40 VanDerWaalsContact N-OD2 3.09Å; T37-D40 WeakPolarHBondContact O-CB 3.47Å; T37-D40 PolarHBondContact O-N 3.17Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; D40-R43 PolarHBondContact O-N 2.82Å; D40-R43 IonicContact OD1-NH1 3.79Å; D40-R43 PolarHBondContact OD1-NH1 2.92Å; D40-A44 WeakPolarHBondContact O-CB 3.44Å; D40-A44 PolarHBondContact O-N 3.3Å |
| 41 | L | 84.4 | Confident | 80.2 | Confident | 86 Ų | 86 | 118.9 Ų | 118.9 | 45% | 0.45 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -49.3 | 173 | -66.9 | 174.4 | 0 | 0 | 0 | 110.9 | K36 T37 E38 R43 A44 D45 | K36-L41 HydrophobicContact CB-CD2 4.21Å; K36-L41 HydrophobicContact CB-CG 4.35Å; K36-L41 HydrophobicContact CD-CD2 4.26Å; T37-L41 PolarHBondContact O-N 3.47Å; E38-L41 PolarHBondContact O-N 3.37Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.3Å; L41-A44 PolarHBondContact O-N 3.49Å; L41-A44 VanDerWaalsContact O-N 3.15Å; L41-D45 PolarHBondContact O-N 3.22Å |
| 42 | K | 84.9 | Confident | 81.1 | Confident | 135 Ų | 135 | 112.3 Ų | 112.3 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.2 | -40 | 176.1 | -74 | 171.1 | -174.3 | 168.5 | 0 | 112.2 | E38 E39 A46 | E38-K42 WeakPolarHBondContact O-CB 3.19Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 3.13Å; E39-K42 PolarHBondContact O-N 3.45Å; K42-A46 VanDerWaalsContact O-CB 3.26Å; K42-A46 WeakPolarHBondContact O-CB 3.19Å; K42-A46 PolarHBondContact O-N 3.5Å |
| 43 | R | 84 | Confident | 82.1 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 54% | 0.536 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 176.8 | -165.8 | -176.4 | -63.3 | 123.1 | 2.9 | 111.3 | E39 D40 L41 A46 L47 | E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.21Å; D40-R43 PolarHBondContact O-N 2.82Å; D40-R43 IonicContact OD1-NH1 3.79Å; D40-R43 PolarHBondContact OD1-NH1 2.92Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.3Å; R43-A46 PolarHBondContact O-N 3.44Å; R43-L47 VanDerWaalsContact O-CG 3.3Å; R43-L47 WeakPolarHBondContact O-CG 3.36Å; R43-L47 PolarHBondContact O-N 3.18Å; R43-L47 VanDerWaalsContact O-N 3.09Å |
| 44 | A | 82.6 | Confident | 82.8 | Confident | 40 Ų | 40 | 109.4 Ų | 109.4 | 33% | 0.331 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D40 L41 L47 L48 | D40-A44 WeakPolarHBondContact O-CB 3.44Å; D40-A44 PolarHBondContact O-N 3.3Å; L41-A44 PolarHBondContact O-N 3.49Å; L41-A44 VanDerWaalsContact O-N 3.15Å; A44-L47 PolarHBondContact O-N 3.41Å; A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 2.96Å; A44-L48 VanDerWaalsContact O-N 3.14Å |
| 45 | D | 82.5 | Confident | 83.5 | Confident | 84 Ų | 84 | 110.9 Ų | 110.9 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176.1 | -71.4 | -15.7 | 0 | 0 | 0 | 111 | L41 L47 L48 F49 | L41-D45 PolarHBondContact O-N 3.22Å; D45-L47 VanDerWaalsContact C-N 3.25Å; D45-L47 PolarHBondContact O-N 3.27Å; D45-L48 PolarHBondContact O-N 2.97Å; D45-F49 HydrophobicContact CB-CD2 4.46Å; D45-F49 HydrophobicContact CB-CE2 4.47Å; D45-F49 WeakPolarHBondContact O-CD2 3.43Å; D45-F49 PolarHBondContact O-N 3.44Å |
| 46 | A | 80.2 | Confident | 83.9 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -34.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K42 R43 K50 | K42-A46 VanDerWaalsContact O-CB 3.26Å; K42-A46 WeakPolarHBondContact O-CB 3.19Å; K42-A46 PolarHBondContact O-N 3.5Å; R43-A46 PolarHBondContact O-N 3.44Å; A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.13Å |
| 47 | L | 75.9 | Confident | 84.3 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.7 | -33.8 | 175.3 | -71.1 | 171.3 | 0 | 0 | 0 | 112.6 | R43 A44 D45 | R43-L47 VanDerWaalsContact O-CG 3.3Å; R43-L47 WeakPolarHBondContact O-CG 3.36Å; R43-L47 PolarHBondContact O-N 3.18Å; R43-L47 VanDerWaalsContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 3.41Å; D45-L47 VanDerWaalsContact C-N 3.25Å; D45-L47 PolarHBondContact O-N 3.27Å |
| 48 | L | 75.7 | Confident | 84.6 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.7 | -33.6 | 178.6 | -69.8 | 169.7 | 0 | 0 | 0 | 112.6 | A44 D45 | A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 2.96Å; A44-L48 VanDerWaalsContact O-N 3.14Å; D45-L48 PolarHBondContact O-N 2.97Å |
| 49 | F | 75.4 | Confident | 85 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -102.6 | 9.5 | -177.9 | -60.6 | -67.4 | 0 | 0 | 0 | 114.3 | D45 E51 | D45-F49 HydrophobicContact CB-CD2 4.46Å; D45-F49 HydrophobicContact CB-CE2 4.47Å; D45-F49 WeakPolarHBondContact O-CD2 3.43Å; D45-F49 PolarHBondContact O-N 3.44Å; F49-E51 PolarHBondContact O-N 3.06Å |
| 50 | K | 83.9 | Confident | 85.2 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 127 | 178.5 | -170.3 | 175.3 | -179.7 | -177.1 | 0 | 110.6 | A46 A134 | A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.13Å; K50-A134 WeakPolarHBondContact O-CB 3.4Å |
| 51 | E | 86.2 | Confident | 85.5 | Confident | 159 Ų | 159 | 94.8 Ų | 94.8 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 141.9 | 176.3 | -65.2 | -173.2 | 168.1 | 0 | 0 | 111.9 | F49 | F49-E51 PolarHBondContact O-N 3.06Š|
| 52 | P | 88.4 | Confident | 85.9 | Confident | 32 Ų | 32 | 96 Ų | 96 | 21% | 0.208 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 134.9 | 173.7 | 28 | -33.9 | 0 | 0 | 0 | 110.3 | K54 L57 A134 A135 I138 | P52-K54 PolarHBondContact O-N 3.41Å; P52-L57 HydrophobicContact CB-CD1 3.85Å; P52-A134 HydrophobicContact CB-CB 4.12Å; P52-A135 HydrophobicContact CB-CB 4.14Å; P52-A135 HydrophobicContact CG-CB 4.27Å; P52-I138 HydrophobicContact CG-CD1 3.98Å |
| 53 | N | 90 | Very high | 86.4 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 33% | 0.326 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 116.7 | 172.9 | -175.2 | -15.2 | 0 | 0 | 0 | 108.5 | E55 I56 L57 H131 | N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 PolarHBondContact OD1-N 3.3Å; N53-I56 HydrophobicContact CB-CB 4.27Å; N53-I56 HydrophobicContact CB-CD1 3.96Å; N53-I56 HydrophobicContact CB-CG1 4.17Å; N53-I56 PolarHBondContact O-N 2.97Å; N53-L57 PolarHBondContact O-N 2.93Å; N53-L57 VanDerWaalsContact O-N 3.16Å; N53-H131 PolarHBondContact N-ND1 2.87Å |
| 54 | K | 89.3 | Confident | 86.7 | Confident | 157 Ų | 157 | 91.9 Ų | 91.9 | 68% | 0.683 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | -177.9 | -62.8 | 179.4 | -176.9 | 177 | 0 | 111.8 | P52 I56 L57 E58 | P52-K54 PolarHBondContact O-N 3.41Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 2.95Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 VanDerWaalsContact O-CG 3.3Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.32Å |
| 55 | E | 90.2 | Very high | 87.3 | Confident | 145 Ų | 145 | 90.6 Ų | 90.6 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | -179.9 | -62.2 | 175.4 | 178.1 | 0 | 0 | 111.5 | N53 E58 H59 | N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 PolarHBondContact OD1-N 3.3Å; E55-E58 PolarHBondContact O-N 3.41Å; E55-H59 VanDerWaalsContact O-CB 3.27Å; E55-H59 WeakPolarHBondContact O-CB 3.5Å; E55-H59 PolarHBondContact O-N 3.43Å |
| 56 | I | 89.9 | Confident | 87.9 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 40% | 0.395 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 178.5 | -65.9 | 173.3 | 0 | 0 | 0 | 110.6 | N53 K54 H59 E60 H131 | N53-I56 HydrophobicContact CB-CB 4.27Å; N53-I56 HydrophobicContact CB-CD1 3.96Å; N53-I56 HydrophobicContact CB-CG1 4.17Å; N53-I56 PolarHBondContact O-N 2.97Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 2.95Å; I56-H59 PolarHBondContact O-N 3.19Å; I56-E60 PolarHBondContact O-N 3.47Å; I56-H131 VanDerWaalsContact CD1-CD2 3.4Å; I56-H131 WeakPolarHBondContact CD1-CD2 3.31Å; I56-H131 VanDerWaalsContact CD1-NE2 3.28Å; I56-H131 WeakPolarHBondContact CD1-NE2 3.44Å; I56-H131 HydrophobicContact CG2-CB 4.32Å |
| 57 | L | 88.5 | Confident | 88.7 | Confident | 29 Ų | 29 | 90.3 Ų | 90.3 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 175.5 | -70 | 179.1 | 0 | 0 | 0 | 111.5 | P52 N53 K54 H59 E60 R61 H131 E132 A135 | P52-L57 HydrophobicContact CB-CD1 3.85Å; N53-L57 PolarHBondContact O-N 2.93Å; N53-L57 VanDerWaalsContact O-N 3.16Å; K54-L57 PolarHBondContact O-N 3.36Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.35Å; L57-E60 PolarHBondContact O-N 2.93Å; L57-R61 WeakPolarHBondContact O-CG 3.31Å; L57-R61 PolarHBondContact O-N 2.97Å; L57-H131 HydrophobicContact CD2-CB 4.18Å; L57-H131 HydrophobicContact CG-CB 4.4Å; L57-E132 HydrophobicContact CD2-CB 4.49Å; L57-E132 HydrophobicContact CD2-CG 3.82Å; L57-A135 HydrophobicContact CD1-CB 4.12Å |
| 58 | E | 90.8 | Very high | 89.7 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.4 | -74 | 169.8 | -157.1 | 0 | 0 | 112 | K54 E55 E60 R61 K62 | K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 VanDerWaalsContact O-CG 3.3Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.32Å; E55-E58 PolarHBondContact O-N 3.41Å; E58-E60 VanDerWaalsContact C-N 3.35Å; E58-R61 PolarHBondContact O-N 2.87Å; E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.2Å |
| 59 | H | 93 | Very high | 90.7 | Very high | 118 Ų | 118 | 85 Ų | 85 | 55% | 0.546 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 173.6 | -178.7 | -93.2 | 0 | 0 | 0 | 111.3 | E55 I56 L57 R61 K62 R63 | E55-H59 VanDerWaalsContact O-CB 3.27Å; E55-H59 WeakPolarHBondContact O-CB 3.5Å; E55-H59 PolarHBondContact O-N 3.43Å; I56-H59 PolarHBondContact O-N 3.19Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.35Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.21Å; H59-K62 PolarHBondContact O-N 3.2Å; H59-R63 VanDerWaalsContact O-CB 3.28Å; H59-R63 WeakPolarHBondContact O-CB 3.4Å; H59-R63 PolarHBondContact O-N 2.86Å |
| 60 | E | 90 | Very high | 91.7 | Very high | 44 Ų | 44 | 83.1 Ų | 83.1 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 177.9 | -162.1 | 61.4 | -162 | 0 | 0 | 111.9 | I56 L57 E58 R63 K64 | I56-E60 PolarHBondContact O-N 3.47Å; L57-E60 PolarHBondContact O-N 2.93Å; E58-E60 VanDerWaalsContact C-N 3.35Å; E60-R63 PolarHBondContact O-N 3.21Å; E60-R63 IonicContact OE1-NH1 3.21Å; E60-R63 PolarHBondContact OE1-NH1 2.86Å; E60-R63 IonicContact OE2-NH1 2.96Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 2.85Å |
| 61 | R | 90.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 82.4 Ų | 82.4 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 171.9 | -55.7 | -160 | 179.3 | 112.8 | 12.6 | 112 | L57 E58 H59 R63 K64 I65 L101 E105 E116 | L57-R61 WeakPolarHBondContact O-CG 3.31Å; L57-R61 PolarHBondContact O-N 2.97Å; E58-R61 PolarHBondContact O-N 2.87Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.21Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-R63 PolarHBondContact O-N 3.44Å; R61-K64 WeakPolarHBondContact O-CB 3.28Å; R61-K64 PolarHBondContact O-N 3.49Å; R61-I65 PolarHBondContact O-N 3.49Å; R61-L101 HydrophobicContact CB-CD1 3.56Å; R61-E105 IonicContact NH1-OE1 3.52Å; R61-E105 PolarHBondContact NH1-OE1 3.49Å; R61-E105 VanDerWaalsContact NH1-OE1 3.12Å; R61-E116 VanDerWaalsContact CG-OE2 3.22Å; R61-E116 WeakPolarHBondContact CG-OE2 3.43Å; R61-E116 IonicContact NE-OE2 3.93Å |
| 62 | K | 92.9 | Very high | 92.8 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.4 | -71.5 | 175.2 | -176.4 | 172 | 0 | 111.7 | E58 H59 K64 I65 E66 | E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.2Å; H59-K62 PolarHBondContact O-N 3.2Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.39Å; K62-I65 WeakPolarHBondContact O-CB 3.5Å; K62-I65 PolarHBondContact O-N 2.79Å; K62-E66 PolarHBondContact O-N 3.47Å |
| 63 | R | 94.3 | Very high | 93.2 | Very high | 134 Ų | 134 | 77.4 Ų | 77.4 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 174.9 | -177.5 | -178.4 | 175.7 | -117.9 | -3.5 | 111.5 | H59 E60 R61 I65 E66 V67 | H59-R63 VanDerWaalsContact O-CB 3.28Å; H59-R63 WeakPolarHBondContact O-CB 3.4Å; H59-R63 PolarHBondContact O-N 2.86Å; E60-R63 PolarHBondContact O-N 3.21Å; E60-R63 IonicContact OE1-NH1 3.21Å; E60-R63 PolarHBondContact OE1-NH1 2.86Å; E60-R63 IonicContact OE2-NH1 2.96Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-R63 PolarHBondContact O-N 3.44Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.11Å; R63-E66 PolarHBondContact O-N 3.18Å; R63-V67 WeakPolarHBondContact O-CG2 3.37Å; R63-V67 PolarHBondContact O-N 3.42Å |
| 64 | K | 91.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 78.4 Ų | 78.4 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.6 | -35.2 | 174.8 | -72.7 | 169.7 | -173 | 169.3 | 0 | 112.4 | E60 R61 K62 K68 E116 E132 | E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 2.85Å; R61-K64 WeakPolarHBondContact O-CB 3.28Å; R61-K64 PolarHBondContact O-N 3.49Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.39Å; K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 3.24Å; K64-E116 PolarHBondContact NZ-O 3.44Å; K64-E132 IonicContact NZ-OE1 2.99Å |
| 65 | I | 94.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 174.3 | -66.5 | 173.4 | 0 | 0 | 0 | 110.6 | R61 K62 R63 V67 K68 C69 L97 L98 L101 | R61-I65 PolarHBondContact O-N 3.49Å; K62-I65 WeakPolarHBondContact O-CB 3.5Å; K62-I65 PolarHBondContact O-N 2.79Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.11Å; I65-V67 VanDerWaalsContact C-N 3.31Å; I65-V67 PolarHBondContact O-N 3.3Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-C69 PolarHBondContact O-N 2.95Å; I65-C69 PolarHBondContact O-SG 3.39Å; I65-L97 HydrophobicContact CB-CB 4.49Å; I65-L97 HydrophobicContact CD1-CB 4.25Å; I65-L97 HydrophobicContact CG1-CB 4.12Å; I65-L97 HydrophobicContact CG2-CB 3.71Å; I65-L97 HydrophobicContact CG2-CD1 3.94Å; I65-L98 HydrophobicContact CD1-CD2 3.8Å; I65-L98 HydrophobicContact CD1-CG 4.35Å; I65-L98 HydrophobicContact CG2-CG 4.49Å; I65-L101 HydrophobicContact CD1-CB 3.98Å; I65-L101 HydrophobicContact CD1-CD1 3.55Å; I65-L101 HydrophobicContact CD1-CG 4.41Å |
| 66 | E | 96.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 179.3 | -63.6 | -55.9 | 152.5 | 0 | 0 | 112.1 | K62 R63 K68 C69 F70 R94 | K62-E66 PolarHBondContact O-N 3.47Å; R63-E66 PolarHBondContact O-N 3.18Å; E66-K68 PolarHBondContact O-N 2.94Å; E66-C69 PolarHBondContact O-N 3.49Å; E66-F70 WeakPolarHBondContact O-CB 3.37Å; E66-F70 PolarHBondContact O-N 2.64Å; E66-R94 IonicContact OE1-NE 2.96Å; E66-R94 PolarHBondContact OE1-NE 3.35Å; E66-R94 IonicContact OE2-CZ 3.12Å; E66-R94 IonicContact OE2-NE 2.87Å; E66-R94 PolarHBondContact OE2-NE 3.24Å; E66-R94 IonicContact OE2-NH2 3.95Å; E66-R94 PolarHBondContact OE2-NH2 2.98Å |
| 67 | V | 96.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 71.5 Ų | 71.5 | 38% | 0.376 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 172.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | R63 I65 C69 F70 E71 | R63-V67 WeakPolarHBondContact O-CG2 3.37Å; R63-V67 PolarHBondContact O-N 3.42Å; I65-V67 VanDerWaalsContact C-N 3.31Å; I65-V67 PolarHBondContact O-N 3.3Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.02Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.09Å; V67-E71 HydrophobicContact CG1-CG 4.45Å; V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.06Å |
| 68 | K | 96.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 78.1 Ų | 78.1 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 176.1 | -70 | 175.9 | 178.6 | -177.1 | 0 | 112.7 | K64 I65 E66 F70 M72 F93 L97 | K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 3.24Å; I65-K68 PolarHBondContact O-N 3.42Å; E66-K68 PolarHBondContact O-N 2.94Å; K68-F70 VanDerWaalsContact C-N 3.34Å; K68-M72 PolarHBondContact O-N 3.14Å; K68-M72 VanDerWaalsContact O-N 3.11Å; K68-F93 HydrophobicContact CB-CE1 4.05Å; K68-L97 HydrophobicContact CB-CD1 4.03Å; K68-L97 HydrophobicContact CD-CD1 3.99Å |
| 69 | C | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 176.5 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | I65 E66 V67 M72 E73 V90 | I65-C69 PolarHBondContact O-N 2.95Å; I65-C69 PolarHBondContact O-SG 3.39Å; E66-C69 PolarHBondContact O-N 3.49Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.02Å; C69-M72 PolarHBondContact O-N 3.48Å; C69-E73 WeakPolarHBondContact O-CB 3.27Å; C69-E73 PolarHBondContact O-N 3.37Å; C69-V90 HydrophobicContact CB-CG1 4.01Å |
| 70 | F | 97 | Very high | 95.1 | Very high | 110 Ų | 110 | 77.7 Ų | 77.7 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 176.4 | -177.4 | -103.5 | 0 | 0 | 0 | 112.3 | E66 V67 K68 M72 E73 Q74 | E66-F70 WeakPolarHBondContact O-CB 3.37Å; E66-F70 PolarHBondContact O-N 2.64Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.09Å; K68-F70 VanDerWaalsContact C-N 3.34Å; F70-M72 VanDerWaalsContact C-N 3.33Å; F70-M72 PolarHBondContact O-N 3.38Å; F70-E73 WeakPolarHBondContact O-CB 3.44Å; F70-E73 PolarHBondContact O-N 2.87Å; F70-Q74 HydrophobicContact CD1-CG 4.36Å; F70-Q74 HydrophobicContact CE1-CG 4.01Å; F70-Q74 HydrophobicContact CE2-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 4.08Å; F70-Q74 WeakPolarHBondContact O-CG 3.3Å; F70-Q74 PolarHBondContact O-N 2.97Å |
| 71 | E | 97 | Very high | 95.4 | Very high | 98 Ų | 98 | 81.1 Ų | 81.1 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 172.8 | -73.7 | 169.3 | 174.4 | 0 | 0 | 111 | V67 E73 Q74 E75 | V67-E71 HydrophobicContact CG1-CG 4.45Å; V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.06Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.19Å; E71-Q74 PolarHBondContact O-N 3.47Å; E71-E75 WeakPolarHBondContact O-CG 3.22Å; E71-E75 PolarHBondContact O-N 3.31Å |
| 72 | M | 96.2 | Very high | 95.7 | Very high | 36 Ų | 36 | 82.1 Ų | 82.1 | 18% | 0.177 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 177.2 | -168.8 | -174.9 | 73.2 | 0 | 0 | 112.9 | K68 C69 F70 M76 R89 V90 F93 | K68-M72 PolarHBondContact O-N 3.14Å; K68-M72 VanDerWaalsContact O-N 3.11Å; C69-M72 PolarHBondContact O-N 3.48Å; F70-M72 VanDerWaalsContact C-N 3.33Å; F70-M72 PolarHBondContact O-N 3.38Å; M72-M76 HydrophobicContact CE-CE 3.98Å; M72-M76 HydrophobicContact CG-CE 4.31Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.93Å; M72-M76 VanDerWaalsContact O-N 3.13Å; M72-R89 HydrophobicContact CE-CB 4.48Å; M72-V90 HydrophobicContact CE-CB 3.93Å; M72-V90 HydrophobicContact CE-CG2 3.48Å; M72-V90 VanDerWaalsContact CE-CG2 3.48Å; M72-F93 HydrophobicContact CE-CB 3.55Å; M72-F93 HydrophobicContact CE-CD1 3.9Å; M72-F93 HydrophobicContact CE-CG 3.92Å; M72-F93 HydrophobicContact SD-CB 3.9Å; M72-F93 HydrophobicContact SD-CD1 3.77Å; M72-F93 HydrophobicContact SD-CD2 4.24Å; M72-F93 HydrophobicContact SD-CE1 4.29Å; M72-F93 HydrophobicContact SD-CG 3.73Å |
| 73 | E | 96.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 81.2 Ų | 81.2 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 173.8 | -177.1 | 169.7 | -158 | 0 | 0 | 110.6 | C69 F70 E71 E75 M76 E77 I86 V90 | C69-E73 WeakPolarHBondContact O-CB 3.27Å; C69-E73 PolarHBondContact O-N 3.37Å; F70-E73 WeakPolarHBondContact O-CB 3.44Å; F70-E73 PolarHBondContact O-N 2.87Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.19Å; E73-E75 PolarHBondContact O-N 3.16Å; E73-M76 PolarHBondContact O-N 3.43Å; E73-M76 VanDerWaalsContact O-N 3.14Å; E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.33Å; E73-I86 HydrophobicContact CB-CG2 4.49Å; E73-I86 HydrophobicContact CG-CG2 3.83Å; E73-V90 HydrophobicContact CB-CG2 3.98Å |
| 74 | Q | 96.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 79.2 Ų | 79.2 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 176.3 | -70.3 | -172 | -35.4 | 0 | 0 | 112.4 | F70 E71 M76 E77 E78 | F70-Q74 HydrophobicContact CD1-CG 4.36Å; F70-Q74 HydrophobicContact CE1-CG 4.01Å; F70-Q74 HydrophobicContact CE2-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 4.08Å; F70-Q74 WeakPolarHBondContact O-CG 3.3Å; F70-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 3.47Å; Q74-M76 VanDerWaalsContact C-N 3.27Å; Q74-M76 PolarHBondContact O-N 2.87Å; Q74-E77 PolarHBondContact O-N 3.16Å; Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.21Å |
| 75 | E | 96.5 | Very high | 96.1 | Very high | 112 Ų | 112 | 81 Ų | 81 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -35.8 | 177.3 | -75.3 | 178.1 | -177.5 | 0 | 0 | 112.6 | E71 E73 Q79 | E71-E75 WeakPolarHBondContact O-CG 3.22Å; E71-E75 PolarHBondContact O-N 3.31Å; E73-E75 PolarHBondContact O-N 3.16Å; E75-Q79 WeakPolarHBondContact O-CB 3.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.22Å; E75-Q79 VanDerWaalsContact O-N 3.17Å; E75-Q79 PolarHBondContact O-NE2 3.38Å |
| 76 | M | 96.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 80.5 Ų | 80.5 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -79.2 | -33.1 | 177.9 | -70.9 | -168.9 | -62.1 | 0 | 0 | 112.8 | M72 E73 Q74 Q79 G80 Y81 I86 R89 V90 | M72-M76 HydrophobicContact CE-CE 3.98Å; M72-M76 HydrophobicContact CG-CE 4.31Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.93Å; M72-M76 VanDerWaalsContact O-N 3.13Å; E73-M76 PolarHBondContact O-N 3.43Å; E73-M76 VanDerWaalsContact O-N 3.14Å; Q74-M76 VanDerWaalsContact C-N 3.27Å; Q74-M76 PolarHBondContact O-N 2.87Å; M76-Q79 PolarHBondContact O-N 3.05Å; M76-G80 PolarHBondContact O-N 3.44Å; M76-G80 VanDerWaalsContact O-N 3.15Å; M76-Y81 HydrophobicContact CB-CD2 3.7Å; M76-Y81 HydrophobicContact CB-CE2 4.4Å; M76-Y81 HydrophobicContact CB-CG 4.41Å; M76-Y81 HydrophobicContact CG-CD2 3.91Å; M76-Y81 HydrophobicContact CG-CE2 4.18Å; M76-Y81 WeakPolarHBondContact O-CD2 3.46Å; M76-Y81 PolarHBondContact O-N 3Å; M76-Y81 VanDerWaalsContact O-N 3.12Å; M76-I86 HydrophobicContact CB-CD1 4.23Å; M76-I86 HydrophobicContact CB-CG1 3.81Å; M76-I86 HydrophobicContact CE-CB 4.11Å; M76-I86 HydrophobicContact CE-CG1 4.23Å; M76-I86 HydrophobicContact CE-CG2 3.9Å; M76-R89 HydrophobicContact CE-CB 3.87Å; M76-R89 HydrophobicContact SD-CB 3.87Å; M76-R89 HydrophobicContact SD-CG 4.17Å; M76-V90 HydrophobicContact CE-CG2 3.63Å |
| 77 | E | 95.3 | Very high | 96.2 | Very high | 103 Ų | 103 | 82.1 Ų | 82.1 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 170.6 | -72.3 | -178.6 | 171.9 | 0 | 0 | 110.9 | E73 Q74 Q79 G80 I86 | E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.33Å; Q74-E77 PolarHBondContact O-N 3.16Å; E77-Q79 VanDerWaalsContact C-N 3.3Å; E77-Q79 PolarHBondContact O-N 2.85Å; E77-G80 PolarHBondContact O-N 3Å; E77-I86 HydrophobicContact CG-CD1 3.79Å |
| 78 | E | 96.2 | Very high | 96.2 | Very high | 168 Ų | 168 | 86.2 Ų | 86.2 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.2 | -34.5 | 176.5 | -73.3 | -179.3 | -176.5 | 0 | 0 | 112.7 | Q74 G80 | Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.21Å; E78-G80 PolarHBondContact O-N 2.96Å |
| 79 | Q | 96.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 89.1 Ų | 89.1 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -9.9 | 174.5 | -73.2 | 170.5 | 50.3 | 0 | 0 | 113.5 | E75 M76 E77 Y81 | E75-Q79 WeakPolarHBondContact O-CB 3.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.22Å; E75-Q79 VanDerWaalsContact O-N 3.17Å; E75-Q79 PolarHBondContact O-NE2 3.38Å; M76-Q79 PolarHBondContact O-N 3.05Å; E77-Q79 VanDerWaalsContact C-N 3.3Å; E77-Q79 PolarHBondContact O-N 2.85Å; Q79-Y81 HydrophobicContact CB-CD2 3.78Å; Q79-Y81 HydrophobicContact CB-CE2 3.58Å; Q79-Y81 HydrophobicContact CG-CE2 4.37Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.25Å; Q79-Y81 PolarHBondContact OE1-OH 3.25Å |
| 80 | G | 94.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 89.3 Ų | 89.3 | 66% | 0.66 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M76 E77 E78 | M76-G80 PolarHBondContact O-N 3.44Å; M76-G80 VanDerWaalsContact O-N 3.15Å; E77-G80 PolarHBondContact O-N 3Å; E78-G80 PolarHBondContact O-N 2.96Å |
| 81 | Y | 95.7 | Very high | 96.2 | Very high | 115 Ų | 115 | 86.2 Ų | 86.2 | 45% | 0.451 | 43% | 0.428 | S | S | . | . | trans | -66.7 | 158.3 | 171.2 | -71 | -83.1 | 0 | 0 | 0 | 111.7 | M76 Q79 | M76-Y81 HydrophobicContact CB-CD2 3.7Å; M76-Y81 HydrophobicContact CB-CE2 4.4Å; M76-Y81 HydrophobicContact CB-CG 4.41Å; M76-Y81 HydrophobicContact CG-CD2 3.91Å; M76-Y81 HydrophobicContact CG-CE2 4.18Å; M76-Y81 WeakPolarHBondContact O-CD2 3.46Å; M76-Y81 PolarHBondContact O-N 3Å; M76-Y81 VanDerWaalsContact O-N 3.12Å; Q79-Y81 HydrophobicContact CB-CD2 3.78Å; Q79-Y81 HydrophobicContact CB-CE2 3.58Å; Q79-Y81 HydrophobicContact CG-CE2 4.37Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.25Å; Q79-Y81 PolarHBondContact OE1-OH 3.25Å | ||
| 82 | T | 96.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 83.4 Ų | 83.4 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | trans | -73.8 | 146.8 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 111 | S84 E85 I86 | T82-S84 PolarHBondContact O-N 3.46Å; T82-S84 VanDerWaalsContact O-N 3.15Å; T82-E85 PolarHBondContact N-OE2 3.38Å; T82-E85 WeakPolarHBondContact O-CB 3.39Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.33Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 2.98Å | ||
| 83 | Q | 95.1 | Very high | 96.3 | Very high | 93 Ų | 93 | 84.6 Ų | 84.6 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -52.2 | -41 | -179.5 | -172.5 | 61.5 | 26.7 | 0 | 0 | 112.8 | E85 I86 E87 | Q83-E85 VanDerWaalsContact C-N 3.34Å; Q83-E85 PolarHBondContact O-N 3.12Å; Q83-I86 WeakPolarHBondContact O-CB 3.49Å; Q83-I86 PolarHBondContact O-N 3.2Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.32Å; Q83-E87 PolarHBondContact NE2-OE1 2.78Å; Q83-E87 VanDerWaalsContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 2.82Å |
| 84 | S | 95.7 | Very high | 96.3 | Very high | 92 Ų | 92 | 86.2 Ų | 86.2 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.2 | -37.8 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 113 | T82 F88 | T82-S84 PolarHBondContact O-N 3.46Å; T82-S84 VanDerWaalsContact O-N 3.15Å; S84-F88 WeakPolarHBondContact O-CB 3.18Å; S84-F88 PolarHBondContact O-N 2.84Å |
| 85 | E | 96 | Very high | 96.3 | Very high | 95 Ų | 95 | 89 Ų | 89 | 44% | 0.444 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 176.8 | -71.2 | 167.6 | 150.9 | 0 | 0 | 111 | T82 Q83 F88 R89 | T82-E85 PolarHBondContact N-OE2 3.38Å; T82-E85 WeakPolarHBondContact O-CB 3.39Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.33Å; Q83-E85 VanDerWaalsContact C-N 3.34Å; Q83-E85 PolarHBondContact O-N 3.12Å; E85-F88 PolarHBondContact O-N 3.22Å; E85-R89 WeakPolarHBondContact O-CB 3.4Å; E85-R89 WeakPolarHBondContact O-CG 3.46Å; E85-R89 PolarHBondContact O-N 2.89Å |
| 86 | I | 96 | Very high | 96.4 | Very high | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.1 | -54 | 176.7 | -67.7 | 174.6 | 0 | 0 | 0 | 109.8 | E73 M76 E77 T82 Q83 F88 R89 V90 | E73-I86 HydrophobicContact CB-CG2 4.49Å; E73-I86 HydrophobicContact CG-CG2 3.83Å; M76-I86 HydrophobicContact CB-CD1 4.23Å; M76-I86 HydrophobicContact CB-CG1 3.81Å; M76-I86 HydrophobicContact CE-CB 4.11Å; M76-I86 HydrophobicContact CE-CG1 4.23Å; M76-I86 HydrophobicContact CE-CG2 3.9Å; E77-I86 HydrophobicContact CG-CD1 3.79Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 2.98Å; Q83-I86 WeakPolarHBondContact O-CB 3.49Å; Q83-I86 PolarHBondContact O-N 3.2Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.88Å; I86-R89 PolarHBondContact O-N 3.34Å; I86-V90 HydrophobicContact CG2-CG2 4.18Å; I86-V90 WeakPolarHBondContact O-CB 3.28Å; I86-V90 VanDerWaalsContact O-CG2 3.24Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.84Å |
| 87 | E | 96.9 | Very high | 96.3 | Very high | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | -179.8 | -72 | 174.1 | -167.7 | 0 | 0 | 112.7 | Q83 S91 | Q83-E87 WeakPolarHBondContact CG-OE1 3.32Å; Q83-E87 PolarHBondContact NE2-OE1 2.78Å; Q83-E87 VanDerWaalsContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 2.82Å; E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.4Å |
| 88 | F | 96.9 | Very high | 96.3 | Very high | 149 Ų | 149 | 86.7 Ų | 86.7 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 177.7 | -178.2 | -100.4 | 0 | 0 | 0 | 111.6 | S84 E85 I86 S91 G92 | S84-F88 WeakPolarHBondContact O-CB 3.18Å; S84-F88 PolarHBondContact O-N 2.84Å; E85-F88 PolarHBondContact O-N 3.22Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.88Å; F88-S91 PolarHBondContact O-OG 3.44Å; F88-G92 PolarHBondContact O-N 3.05Å; F88-G92 VanDerWaalsContact O-N 3.13Å |
| 89 | R | 96.2 | Very high | 96.2 | Very high | 167 Ų | 167 | 83 Ų | 83 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.7 | -46.9 | 179.4 | -65.4 | -69.9 | -175.7 | 165.8 | 3.5 | 111.6 | M72 M76 E85 I86 G92 F93 | M72-R89 HydrophobicContact CE-CB 4.48Å; M76-R89 HydrophobicContact CE-CB 3.87Å; M76-R89 HydrophobicContact SD-CB 3.87Å; M76-R89 HydrophobicContact SD-CG 4.17Å; E85-R89 WeakPolarHBondContact O-CB 3.4Å; E85-R89 WeakPolarHBondContact O-CG 3.46Å; E85-R89 PolarHBondContact O-N 2.89Å; I86-R89 PolarHBondContact O-N 3.34Å; R89-G92 PolarHBondContact O-N 3.26Å; R89-F93 WeakPolarHBondContact O-CB 3.45Å; R89-F93 PolarHBondContact O-N 3.4Å |
| 90 | V | 97.3 | Very high | 96 | Very high | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | C69 M72 E73 M76 I86 G92 F93 R94 | C69-V90 HydrophobicContact CB-CG1 4.01Å; M72-V90 HydrophobicContact CE-CB 3.93Å; M72-V90 HydrophobicContact CE-CG2 3.48Å; M72-V90 VanDerWaalsContact CE-CG2 3.48Å; E73-V90 HydrophobicContact CB-CG2 3.98Å; M76-V90 HydrophobicContact CE-CG2 3.63Å; I86-V90 HydrophobicContact CG2-CG2 4.18Å; I86-V90 WeakPolarHBondContact O-CB 3.28Å; I86-V90 VanDerWaalsContact O-CG2 3.24Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.84Å; V90-G92 PolarHBondContact O-N 3.16Å; V90-F93 PolarHBondContact O-N 2.75Å; V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.39Å; V90-R94 PolarHBondContact O-N 2.83Å |
| 91 | S | 97.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 79.8 Ų | 79.8 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 178 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | E87 F88 K95 | E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.4Å; F88-S91 PolarHBondContact O-OG 3.44Å; S91-K95 WeakPolarHBondContact O-CG 3.48Å; S91-K95 PolarHBondContact O-N 3.05Å; S91-K95 VanDerWaalsContact O-N 3.15Å |
| 92 | G | 97 | Very high | 95.4 | Very high | 39 Ų | 39 | 79.8 Ų | 79.8 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F88 R89 V90 K95 K96 | F88-G92 PolarHBondContact O-N 3.05Å; F88-G92 VanDerWaalsContact O-N 3.13Å; R89-G92 PolarHBondContact O-N 3.26Å; V90-G92 PolarHBondContact O-N 3.16Å; G92-K95 PolarHBondContact O-N 3.41Å; G92-K96 PolarHBondContact O-N 3.16Å |
| 93 | F | 96.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 78 Ų | 78 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.7 | -174.4 | -117.8 | 0 | 0 | 0 | 112.4 | K68 M72 R89 V90 K95 K96 L97 | K68-F93 HydrophobicContact CB-CE1 4.05Å; M72-F93 HydrophobicContact CE-CB 3.55Å; M72-F93 HydrophobicContact CE-CD1 3.9Å; M72-F93 HydrophobicContact CE-CG 3.92Å; M72-F93 HydrophobicContact SD-CB 3.9Å; M72-F93 HydrophobicContact SD-CD1 3.77Å; M72-F93 HydrophobicContact SD-CD2 4.24Å; M72-F93 HydrophobicContact SD-CE1 4.29Å; M72-F93 HydrophobicContact SD-CG 3.73Å; R89-F93 WeakPolarHBondContact O-CB 3.45Å; R89-F93 PolarHBondContact O-N 3.4Å; V90-F93 PolarHBondContact O-N 2.75Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.9Å; F93-K96 WeakPolarHBondContact O-CB 3.42Å; F93-K96 PolarHBondContact O-N 3.33Å; F93-L97 HydrophobicContact CD1-CD1 3.93Å; F93-L97 HydrophobicContact CE1-CD1 3.44Å; F93-L97 VanDerWaalsContact CE1-CD1 3.44Å; F93-L97 HydrophobicContact CE1-CG 4.25Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 4.38Å; F93-L97 HydrophobicContact CE2-CG 4.22Å; F93-L97 HydrophobicContact CZ-CD1 3.62Å; F93-L97 HydrophobicContact CZ-CD2 4.31Å; F93-L97 HydrophobicContact CZ-CG 4.09Å; F93-L97 PolarHBondContact O-N 3.34Å |
| 94 | R | 97.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.5 | -48.4 | 174.5 | -176 | -176.2 | -75.2 | 121.6 | 1.5 | 111.4 | E66 V90 L97 L98 | E66-R94 IonicContact OE1-NE 2.96Å; E66-R94 PolarHBondContact OE1-NE 3.35Å; E66-R94 IonicContact OE2-CZ 3.12Å; E66-R94 IonicContact OE2-NE 2.87Å; E66-R94 PolarHBondContact OE2-NE 3.24Å; E66-R94 IonicContact OE2-NH2 3.95Å; E66-R94 PolarHBondContact OE2-NH2 2.98Å; V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.39Å; V90-R94 PolarHBondContact O-N 2.83Å; R94-L97 PolarHBondContact O-N 2.91Å; R94-L98 HydrophobicContact CG-CD1 4Å; R94-L98 WeakPolarHBondContact O-CB 3.4Å; R94-L98 VanDerWaalsContact O-CG 3.31Å; R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 3.41Å |
| 95 | K | 97.2 | Very high | 93.6 | Very high | 138 Ų | 138 | 74.4 Ų | 74.4 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.8 | -47.5 | 177.4 | -74.3 | 175.5 | -177.3 | 177.2 | 0 | 111.6 | S91 G92 F93 L97 L98 D99 | S91-K95 WeakPolarHBondContact O-CG 3.48Å; S91-K95 PolarHBondContact O-N 3.05Å; S91-K95 VanDerWaalsContact O-N 3.15Å; G92-K95 PolarHBondContact O-N 3.41Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.9Å; K95-L97 PolarHBondContact O-N 3.23Å; K95-L98 PolarHBondContact O-N 2.97Å; K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 VanDerWaalsContact O-CG 3.31Å; K95-D99 PolarHBondContact O-N 3.28Å |
| 96 | K | 96.7 | Very high | 92.6 | Very high | 122 Ų | 122 | 76.8 Ų | 76.8 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 177.8 | -176.4 | -175.5 | 175 | -172.5 | 0 | 111.9 | G92 F93 L98 D99 E100 | G92-K96 PolarHBondContact O-N 3.16Å; F93-K96 WeakPolarHBondContact O-CB 3.42Å; F93-K96 PolarHBondContact O-N 3.33Å; K96-L98 PolarHBondContact O-N 2.86Å; K96-D99 PolarHBondContact O-N 3.1Å; K96-E100 WeakPolarHBondContact CE-OE1 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 3.19Å |
| 97 | L | 95 | Very high | 91.2 | Very high | 17 Ų | 17 | 84.8 Ų | 84.8 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 179.8 | -70.7 | -177.9 | 0 | 0 | 0 | 112.7 | I65 K68 F93 R94 K95 D99 E100 L101 | I65-L97 HydrophobicContact CB-CB 4.49Å; I65-L97 HydrophobicContact CD1-CB 4.25Å; I65-L97 HydrophobicContact CG1-CB 4.12Å; I65-L97 HydrophobicContact CG2-CB 3.71Å; I65-L97 HydrophobicContact CG2-CD1 3.94Å; K68-L97 HydrophobicContact CB-CD1 4.03Å; K68-L97 HydrophobicContact CD-CD1 3.99Å; F93-L97 HydrophobicContact CD1-CD1 3.93Å; F93-L97 HydrophobicContact CE1-CD1 3.44Å; F93-L97 VanDerWaalsContact CE1-CD1 3.44Å; F93-L97 HydrophobicContact CE1-CG 4.25Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 4.38Å; F93-L97 HydrophobicContact CE2-CG 4.22Å; F93-L97 HydrophobicContact CZ-CD1 3.62Å; F93-L97 HydrophobicContact CZ-CD2 4.31Å; F93-L97 HydrophobicContact CZ-CG 4.09Å; F93-L97 PolarHBondContact O-N 3.34Å; R94-L97 PolarHBondContact O-N 2.91Å; K95-L97 PolarHBondContact O-N 3.23Å; L97-D99 VanDerWaalsContact C-N 3.35Å; L97-E100 PolarHBondContact O-N 3.47Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.49Å |
| 98 | L | 94.8 | Very high | 89.2 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 175.4 | -74.6 | 172.4 | 0 | 0 | 0 | 112.2 | I65 R94 K95 K96 L101 K102 | I65-L98 HydrophobicContact CD1-CD2 3.8Å; I65-L98 HydrophobicContact CD1-CG 4.35Å; I65-L98 HydrophobicContact CG2-CG 4.49Å; R94-L98 HydrophobicContact CG-CD1 4Å; R94-L98 WeakPolarHBondContact O-CB 3.4Å; R94-L98 VanDerWaalsContact O-CG 3.31Å; R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 3.41Å; K95-L98 PolarHBondContact O-N 2.97Å; K96-L98 PolarHBondContact O-N 2.86Å; L98-L101 PolarHBondContact O-N 2.96Å; L98-K102 WeakPolarHBondContact O-CG 3.43Å; L98-K102 PolarHBondContact O-N 3.3Å |
| 99 | D | 94.7 | Very high | 86.8 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.5 | -36.8 | 177.5 | -68.8 | -21.3 | 0 | 0 | 0 | 111.6 | K95 K96 L97 L101 K102 A103 | K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 VanDerWaalsContact O-CG 3.31Å; K95-D99 PolarHBondContact O-N 3.28Å; K96-D99 PolarHBondContact O-N 3.1Å; L97-D99 VanDerWaalsContact C-N 3.35Å; D99-L101 VanDerWaalsContact C-N 3.34Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 IonicContact OD1-NZ 3.4Å; D99-A103 VanDerWaalsContact O-CB 3.29Å; D99-A103 WeakPolarHBondContact O-CB 3.45Å; D99-A103 PolarHBondContact O-N 3.11Å |
| 100 | E | 91.9 | Very high | 84.5 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 169 | -74.4 | 174 | -167 | 0 | 0 | 111.5 | K96 L97 A103 S104 | K96-E100 WeakPolarHBondContact CE-OE1 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 3.19Å; L97-E100 PolarHBondContact O-N 3.47Å; E100-A103 PolarHBondContact O-N 3.45Å; E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.32Å |
| 101 | L | 89.1 | Confident | 81.8 | Confident | 18 Ų | 18 | 85 Ų | 85 | 9% | 0.094 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 175.4 | -178.4 | 151.4 | 0 | 0 | 0 | 110.9 | R61 I65 L97 L98 D99 A103 S104 E105 | R61-L101 HydrophobicContact CB-CD1 3.56Å; I65-L101 HydrophobicContact CD1-CB 3.98Å; I65-L101 HydrophobicContact CD1-CD1 3.55Å; I65-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 2.96Å; D99-L101 VanDerWaalsContact C-N 3.34Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.28Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.47Å; L101-E105 HydrophobicContact CD2-CG 4.38Å; L101-E105 WeakPolarHBondContact O-CG 3.3Å; L101-E105 PolarHBondContact O-N 3.09Å; L101-E105 VanDerWaalsContact O-N 3.09Å |
| 102 | K | 89.8 | Confident | 79.6 | Confident | 114 Ų | 114 | 87.3 Ų | 87.3 | 50% | 0.496 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 177.3 | -70.5 | 170.1 | -169.8 | 163.1 | 0 | 112.2 | L98 D99 S104 E105 I106 | L98-K102 WeakPolarHBondContact O-CG 3.43Å; L98-K102 PolarHBondContact O-N 3.3Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 IonicContact OD1-NZ 3.4Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.46Å; K102-E105 PolarHBondContact O-N 2.89Å; K102-E105 VanDerWaalsContact O-N 3.16Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.05Å |
| 103 | A | 88.9 | Confident | 77.2 | Confident | 43 Ų | 43 | 92.7 Ų | 92.7 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D99 E100 L101 E105 K107 | D99-A103 VanDerWaalsContact O-CB 3.29Å; D99-A103 WeakPolarHBondContact O-CB 3.45Å; D99-A103 PolarHBondContact O-N 3.11Å; E100-A103 PolarHBondContact O-N 3.45Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.28Å; A103-E105 VanDerWaalsContact C-N 3.32Å; A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 2.91Å |
| 104 | S | 82.1 | Confident | 75.1 | Confident | 46 Ų | 46 | 91.2 Ų | 91.2 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 174.5 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | E100 L101 K102 | E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.32Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.47Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.46Å |
| 105 | E | 77.3 | Confident | 72.8 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 29% | 0.29 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 179.2 | -66.7 | -175 | 153.6 | 0 | 0 | 112.7 | R61 L101 K102 A103 K108 | R61-E105 IonicContact NH1-OE1 3.52Å; R61-E105 PolarHBondContact NH1-OE1 3.49Å; R61-E105 VanDerWaalsContact NH1-OE1 3.12Å; L101-E105 HydrophobicContact CD2-CG 4.38Å; L101-E105 WeakPolarHBondContact O-CG 3.3Å; L101-E105 PolarHBondContact O-N 3.09Å; L101-E105 VanDerWaalsContact O-N 3.09Å; K102-E105 PolarHBondContact O-N 2.89Å; K102-E105 VanDerWaalsContact O-N 3.16Å; A103-E105 VanDerWaalsContact C-N 3.32Å; E105-K108 WeakPolarHBondContact O-CD 3.12Å; E105-K108 WeakPolarHBondContact O-CG 3.26Å |
| 106 | I | 75.4 | Confident | 70.8 | Confident | 145 Ų | 145 | 92 Ų | 92 | 74% | 0.744 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.4 | -34.4 | 177.8 | -63.6 | 161 | 0 | 0 | 0 | 111.5 | K102 K108 | K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.05Å; I106-K108 PolarHBondContact O-N 3.26Å |
| 107 | K | 66.6 | Low | 68.9 | Low | 171 Ų | 171 | 87.3 Ų | 87.3 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 2.3 | -179.1 | -71 | 178.8 | -177.7 | 178.9 | 0 | 114.3 | A103 T109 | A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 2.91Å; K107-T109 VanDerWaalsContact C-N 3.33Å; K107-T109 PolarHBondContact O-N 3.05Å |
| 108 | K | 56.2 | Low | 67 | Low | 114 Ų | 114 | 89.1 Ų | 89.1 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | trans | -66.1 | 90.3 | 178.3 | -70.2 | 174.6 | -178.3 | 162.3 | 0 | 110.4 | E105 I106 | E105-K108 WeakPolarHBondContact O-CD 3.12Å; E105-K108 WeakPolarHBondContact O-CG 3.26Å; I106-K108 PolarHBondContact O-N 3.26Å | ||
| 109 | T | 45.7 | Very low | 65.2 | Low | 101 Ų | 101 | 92.8 Ų | 92.8 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | trans | -57.2 | 149.8 | 144.8 | 52.3 | 0 | 0 | 0 | 0 | 107.7 | K107 N111 | K107-T109 VanDerWaalsContact C-N 3.33Å; K107-T109 PolarHBondContact O-N 3.05Å; T109-N111 PolarHBondContact O-N 3.14Å | ||
| 110 | P | 47.9 | Very low | 63.4 | Low | 136 Ų | 136 | 89.9 Ų | 89.9 | 88% | 0.883 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -67 | 10.1 | -169.9 | 27 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 111 | N | 41.3 | Very low | 61.9 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -104.1 | 107.3 | 170.7 | -118.4 | -22.4 | 0 | 0 | 0 | 109.4 | T109 E113 | T109-N111 PolarHBondContact O-N 3.14Å; N111-E113 PolarHBondContact O-N 3.23Å |
| 112 | V | 49.2 | Very low | 60.5 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | trans | -68 | 96 | -171.1 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | L139 | V112-L139 HydrophobicContact CB-CD1 4.41Å; V112-L139 HydrophobicContact CB-CD2 3.52Å; V112-L139 HydrophobicContact CB-CG 4.27Å; V112-L139 HydrophobicContact CG1-CD1 3.81Å; V112-L139 HydrophobicContact CG1-CD2 3.89Å; V112-L139 HydrophobicContact CG1-CG 4.11Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; V112-L139 WeakPolarHBondContact O-CD2 3.44Å | ||
| 113 | E | 47.5 | Very low | 59.5 | Low | 152 Ų | 152 | 97.1 Ų | 97.1 | 71% | 0.71 | 52% | 0.517 | S | S | * | . | trans | -59 | 127.1 | 165.9 | -78.7 | -72.8 | 158.5 | 0 | 0 | 109.1 | N111 F115 | N111-E113 PolarHBondContact O-N 3.23Å; E113-F115 PolarHBondContact O-N 3.22Å | ||
| 114 | P | 51.9 | Low | 58.6 | Low | 31 Ų | 31 | 101.9 Ų | 101.9 | 20% | 0.201 | 53% | 0.529 | C | S | . | . | trans | -79.5 | 67 | 179.2 | 33.6 | -33.2 | 0 | 0 | 0 | 109.3 | E116 I117 L125 | P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.26Å; P114-I117 HydrophobicContact CB-CD1 4.09Å; P114-L125 HydrophobicContact CB-CD1 3.71Å; P114-L125 HydrophobicContact CB-CD2 3.5Å; P114-L125 HydrophobicContact CB-CG 4.26Å; P114-L125 HydrophobicContact CG-CD1 4.23Å; P114-L125 HydrophobicContact CG-CD2 3.82Å | ||
| 115 | F | 50 | Low | 58.1 | Low | 173 Ų | 173 | 101.5 Ų | 101.5 | 76% | 0.759 | 52% | 0.523 | S | S | * | . | trans | -80 | -6.1 | -169.7 | -154.5 | -100 | 0 | 0 | 0 | 114.2 | E113 | E113-F115 PolarHBondContact O-N 3.22Š| ||
| 116 | E | 54.9 | Low | 58.1 | Low | 66 Ų | 66 | 102.9 Ų | 102.9 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -140.2 | 6 | -176.8 | -66.1 | -172.5 | -166.5 | 0 | 0 | 116.3 | R61 K64 P114 | R61-E116 VanDerWaalsContact CG-OE2 3.22Å; R61-E116 WeakPolarHBondContact CG-OE2 3.43Å; R61-E116 IonicContact NE-OE2 3.93Å; K64-E116 PolarHBondContact NZ-O 3.44Å; P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.26Å |
| 117 | I | 56.1 | Low | 58.3 | Low | 23 Ų | 23 | 97.5 Ų | 97.5 | 12% | 0.118 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -85 | 119.3 | 169 | -58 | 141.8 | 0 | 0 | 0 | 105.1 | P114 Q119 L125 L126 P127 V136 | P114-I117 HydrophobicContact CB-CD1 4.09Å; I117-Q119 PolarHBondContact O-N 3.34Å; I117-L125 HydrophobicContact CB-CB 4.37Å; I117-L125 HydrophobicContact CB-CD2 4.32Å; I117-L125 HydrophobicContact CD1-CD1 4.18Å; I117-L125 HydrophobicContact CG2-CB 3.8Å; I117-L126 VanDerWaalsContact CG2-C 3.44Å; I117-P127 HydrophobicContact CG2-CB 4.49Å; I117-V136 HydrophobicContact CD1-CG2 3.43Å; I117-V136 VanDerWaalsContact CD1-CG2 3.43Å; I117-V136 HydrophobicContact CG1-CG2 4.12Å; I117-V136 HydrophobicContact CG2-CG2 4.33Å |
| 118 | S | 55.1 | Low | 59.1 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | trans | -48.5 | 110.5 | -178 | 47 | 0 | 0 | 0 | 0 | 109.2 | S120 L126 | S118-S120 PolarHBondContact O-N 2.93Å; S118-L126 PolarHBondContact O-N 3.09Å; S118-L126 PolarHBondContact OG-O 2.78Å | ||
| 119 | Q | 58.1 | Low | 60.5 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | B | Isolated β-bridge | trans | -72.7 | 120.1 | 174 | -62 | -177.1 | 10.3 | 0 | 0 | 105.2 | I117 L125 | I117-Q119 PolarHBondContact O-N 3.34Å; Q119-L125 HydrophobicContact CG-CD2 4.35Å |
| 120 | S | 55.8 | Low | 62.6 | Low | 31 Ų | 31 | 93.5 Ų | 93.5 | 22% | 0.217 | 50% | 0.498 | C | S | . | . | trans | -59.1 | 162.2 | 162.2 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | S118 H122 G123 K124 L126 | S118-S120 PolarHBondContact O-N 2.93Å; S120-H122 PolarHBondContact O-N 3.47Å; S120-G123 PolarHBondContact O-N 3.34Å; S120-K124 PolarHBondContact N-O 2.88Å; S120-K124 VanDerWaalsContact N-O 3.09Å; S120-K124 WeakPolarHBondContact OG-CB 2.78Å; S120-K124 PolarHBondContact OG-N 2.88Å; S120-K124 PolarHBondContact OG-O 3.41Å; S120-L126 VanDerWaalsContact CB-CD1 3.48Å | ||
| 121 | E | 60.2 | Low | 64.5 | Low | 191 Ų | 191 | 88.8 Ų | 88.8 | 89% | 0.893 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -20.5 | 169.3 | -60.6 | 179.7 | 165.7 | 0 | 0 | 113.4 | ||
| 122 | H | 60.1 | Low | 66.7 | Low | 144 Ų | 144 | 85.6 Ų | 85.6 | 67% | 0.667 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 14.2 | 179.6 | -54.6 | -43.4 | 0 | 0 | 0 | 114.5 | S120 K124 | S120-H122 PolarHBondContact O-N 3.47Å; H122-K124 HydrophobicContact CB-CG 4.43Å; H122-K124 PolarHBondContact O-N 2.83Å; H122-K124 VanDerWaalsContact O-N 3.11Å |
| 123 | G | 69.6 | Low | 68.5 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 66.5 | 10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S120 | S120-G123 PolarHBondContact O-N 3.34Š|
| 124 | K | 69.2 | Low | 70.4 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 41% | 0.408 | S | S | * | . | trans | -82.6 | 127.2 | 176.3 | -57.7 | 174.3 | -178.5 | 174.6 | 0 | 108.8 | S120 H122 L126 | S120-K124 PolarHBondContact N-O 2.88Å; S120-K124 VanDerWaalsContact N-O 3.09Å; S120-K124 WeakPolarHBondContact OG-CB 2.78Å; S120-K124 PolarHBondContact OG-N 2.88Å; S120-K124 PolarHBondContact OG-O 3.41Å; H122-K124 HydrophobicContact CB-CG 4.43Å; H122-K124 PolarHBondContact O-N 2.83Å; H122-K124 VanDerWaalsContact O-N 3.11Å; K124-L126 PolarHBondContact O-N 2.84Å | ||
| 125 | L | 71.5 | Confident | 72.1 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 114.3 | 171.3 | -54.8 | -177 | 0 | 0 | 0 | 108.5 | P114 I117 Q119 P127 V136 | P114-L125 HydrophobicContact CB-CD1 3.71Å; P114-L125 HydrophobicContact CB-CD2 3.5Å; P114-L125 HydrophobicContact CB-CG 4.26Å; P114-L125 HydrophobicContact CG-CD1 4.23Å; P114-L125 HydrophobicContact CG-CD2 3.82Å; I117-L125 HydrophobicContact CB-CB 4.37Å; I117-L125 HydrophobicContact CB-CD2 4.32Å; I117-L125 HydrophobicContact CD1-CD1 4.18Å; I117-L125 HydrophobicContact CG2-CB 3.8Å; Q119-L125 HydrophobicContact CG-CD2 4.35Å; L125-P127 WeakPolarHBondContact O-CD 3.34Å; L125-V136 HydrophobicContact CB-CG1 4.2Å; L125-V136 HydrophobicContact CB-CG2 4.1Å; L125-V136 HydrophobicContact CD1-CG1 4.32Å; L125-V136 HydrophobicContact CD1-CG2 4.2Å |
| 126 | L | 78.1 | Confident | 73.9 | Confident | 91 Ų | 91 | 69 Ų | 69 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | trans | -103.3 | 84.9 | 175 | -74.7 | 158.4 | 0 | 0 | 0 | 110.1 | I117 S118 S120 K124 | I117-L126 VanDerWaalsContact CG2-C 3.44Å; S118-L126 PolarHBondContact O-N 3.09Å; S118-L126 PolarHBondContact OG-O 2.78Å; S120-L126 VanDerWaalsContact CB-CD1 3.48Å; K124-L126 PolarHBondContact O-N 2.84Å | ||
| 127 | P | 80.1 | Confident | 75.5 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 21% | 0.214 | 37% | 0.369 | C | S | . | . | trans | -64.2 | 137.8 | 172.1 | 26.6 | -36.1 | 0 | 0 | 0 | 111.3 | I117 L125 E132 N133 V136 | I117-P127 HydrophobicContact CG2-CB 4.49Å; L125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-E132 HydrophobicContact CB-CB 3.65Å; P127-N133 WeakPolarHBondContact CB-OD1 3Å; P127-N133 WeakPolarHBondContact CG-OD1 3.47Å; P127-V136 HydrophobicContact CB-CG2 4.17Å; P127-V136 HydrophobicContact CG-CB 4.48Å; P127-V136 HydrophobicContact CG-CG2 4.18Å | ||
| 128 | K | 83.4 | Confident | 76.9 | Confident | 168 Ų | 168 | 70.6 Ų | 70.6 | 73% | 0.73 | 38% | 0.381 | S | S | * | . | trans | -94 | -30.9 | 177.5 | -63.3 | -176.5 | 179.2 | -178.1 | 0 | 111.8 | E132 | K128-E132 WeakPolarHBondContact CA-OE2 3.31Å; K128-E132 PolarHBondContact N-OE2 3.31Å | ||
| 129 | G | 85.5 | Confident | 78.4 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -114.7 | 164 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H131 E132 N133 | G129-H131 PolarHBondContact O-N 3.48Å; G129-E132 PolarHBondContact N-OE2 2.8Å; G129-E132 VanDerWaalsContact N-OE2 3.16Å; G129-E132 PolarHBondContact O-N 3.13Å; G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.39Å |
| 130 | T | 88.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 64% | 0.638 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | 179 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | N133 A134 | T130-N133 WeakPolarHBondContact O-CB 3.27Å; T130-N133 PolarHBondContact O-N 3.41Å; T130-A134 PolarHBondContact O-N 3.23Å |
| 131 | H | 88.7 | Confident | 81.3 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.4 | -30.3 | 178 | -68.4 | -70.5 | 0 | 0 | 0 | 112.5 | N53 I56 L57 G129 A134 A135 | N53-H131 PolarHBondContact N-ND1 2.87Å; I56-H131 VanDerWaalsContact CD1-CD2 3.4Å; I56-H131 WeakPolarHBondContact CD1-CD2 3.31Å; I56-H131 VanDerWaalsContact CD1-NE2 3.28Å; I56-H131 WeakPolarHBondContact CD1-NE2 3.44Å; I56-H131 HydrophobicContact CG2-CB 4.32Å; L57-H131 HydrophobicContact CD2-CB 4.18Å; L57-H131 HydrophobicContact CG-CB 4.4Å; G129-H131 PolarHBondContact O-N 3.48Å; H131-A134 PolarHBondContact O-N 3.47Å; H131-A135 PolarHBondContact O-N 3Å |
| 132 | E | 87.3 | Confident | 82.6 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 169.5 | -62.3 | -175 | 149.7 | 0 | 0 | 110.5 | L57 K64 P127 K128 G129 A134 A135 V136 | L57-E132 HydrophobicContact CD2-CB 4.49Å; L57-E132 HydrophobicContact CD2-CG 3.82Å; K64-E132 IonicContact NZ-OE1 2.99Å; P127-E132 HydrophobicContact CB-CB 3.65Å; K128-E132 WeakPolarHBondContact CA-OE2 3.31Å; K128-E132 PolarHBondContact N-OE2 3.31Å; G129-E132 PolarHBondContact N-OE2 2.8Å; G129-E132 VanDerWaalsContact N-OE2 3.16Å; G129-E132 PolarHBondContact O-N 3.13Å; E132-A134 VanDerWaalsContact C-N 3.31Å; E132-A134 PolarHBondContact O-N 3.15Å; E132-A135 PolarHBondContact O-N 3.22Å; E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 2.86Å |
| 133 | N | 87.6 | Confident | 84 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -46.7 | 172.6 | -70.4 | -23.3 | 0 | 0 | 0 | 111.2 | P127 G129 T130 V136 N137 | P127-N133 WeakPolarHBondContact CB-OD1 3Å; P127-N133 WeakPolarHBondContact CG-OD1 3.47Å; G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.39Å; T130-N133 WeakPolarHBondContact O-CB 3.27Å; T130-N133 PolarHBondContact O-N 3.41Å; N133-V136 PolarHBondContact O-N 3.14Å; N133-N137 WeakPolarHBondContact O-CB 3.1Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.04Å |
| 134 | A | 87.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K50 P52 T130 H131 E132 V136 N137 I138 | K50-A134 WeakPolarHBondContact O-CB 3.4Å; P52-A134 HydrophobicContact CB-CB 4.12Å; T130-A134 PolarHBondContact O-N 3.23Å; H131-A134 PolarHBondContact O-N 3.47Å; E132-A134 VanDerWaalsContact C-N 3.31Å; E132-A134 PolarHBondContact O-N 3.15Å; A134-V136 PolarHBondContact O-N 3.23Å; A134-N137 PolarHBondContact O-N 3.36Å; A134-I138 WeakPolarHBondContact O-CG1 3.14Å; A134-I138 PolarHBondContact O-N 3.33Å |
| 135 | A | 87.2 | Confident | 85.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P52 L57 H131 E132 N137 I138 L139 | P52-A135 HydrophobicContact CB-CB 4.14Å; P52-A135 HydrophobicContact CG-CB 4.27Å; L57-A135 HydrophobicContact CD1-CB 4.12Å; H131-A135 PolarHBondContact O-N 3Å; E132-A135 PolarHBondContact O-N 3.22Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.16Å; A135-I138 PolarHBondContact O-N 2.72Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.9Å |
| 136 | V | 87 | Confident | 86.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | I117 L125 P127 E132 N133 A134 L139 K140 | I117-V136 HydrophobicContact CD1-CG2 3.43Å; I117-V136 VanDerWaalsContact CD1-CG2 3.43Å; I117-V136 HydrophobicContact CG1-CG2 4.12Å; I117-V136 HydrophobicContact CG2-CG2 4.33Å; L125-V136 HydrophobicContact CB-CG1 4.2Å; L125-V136 HydrophobicContact CB-CG2 4.1Å; L125-V136 HydrophobicContact CD1-CG1 4.32Å; L125-V136 HydrophobicContact CD1-CG2 4.2Å; P127-V136 HydrophobicContact CB-CG2 4.17Å; P127-V136 HydrophobicContact CG-CB 4.48Å; P127-V136 HydrophobicContact CG-CG2 4.18Å; E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 2.86Å; N133-V136 PolarHBondContact O-N 3.14Å; A134-V136 PolarHBondContact O-N 3.23Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.36Å; V136-K140 HydrophobicContact CG1-CD 3.97Å; V136-K140 VanDerWaalsContact CG1-CE 3.41Å; V136-K140 HydrophobicContact CG1-CG 4.43Å; V136-K140 WeakPolarHBondContact O-CB 3.42Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 3.39Å |
| 137 | N | 88 | Confident | 87.3 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.4 | -73.4 | -15.3 | 0 | 0 | 0 | 111.4 | N133 A134 A135 L139 K140 N141 | N133-N137 WeakPolarHBondContact O-CB 3.1Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.04Å; A134-N137 PolarHBondContact O-N 3.36Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.16Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.19Å; N137-K140 PolarHBondContact O-N 3.33Å; N137-N141 VanDerWaalsContact O-CB 3.31Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.09Å; N137-N141 PolarHBondContact O-ND2 2.67Å |
| 138 | I | 86.8 | Confident | 87.9 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 172.8 | -69.4 | 176.6 | 0 | 0 | 0 | 109.8 | P52 A134 A135 K140 N141 T142 | P52-I138 HydrophobicContact CG-CD1 3.98Å; A134-I138 WeakPolarHBondContact O-CG1 3.14Å; A134-I138 PolarHBondContact O-N 3.33Å; A135-I138 PolarHBondContact O-N 2.72Å; I138-K140 PolarHBondContact O-N 2.91Å; I138-N141 CarbonylContact O-C 3.6Å; I138-N141 WeakPolarHBondContact O-CB 3.07Å; I138-N141 PolarHBondContact O-N 2.83Å; I138-N141 VanDerWaalsContact O-N 3.13Å; I138-T142 HydrophobicContact CG2-CG2 4.19Å; I138-T142 WeakPolarHBondContact O-CG2 3.48Å; I138-T142 PolarHBondContact O-N 3.09Å; I138-T142 PolarHBondContact O-OG1 3.44Å |
| 139 | L | 86.7 | Confident | 88 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 176.1 | -84 | 175.8 | 0 | 0 | 0 | 113.9 | V112 A135 V136 N137 N141 T142 I143 | V112-L139 HydrophobicContact CB-CD1 4.41Å; V112-L139 HydrophobicContact CB-CD2 3.52Å; V112-L139 HydrophobicContact CB-CG 4.27Å; V112-L139 HydrophobicContact CG1-CD1 3.81Å; V112-L139 HydrophobicContact CG1-CD2 3.89Å; V112-L139 HydrophobicContact CG1-CG 4.11Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; V112-L139 WeakPolarHBondContact O-CD2 3.44Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.9Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.36Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.19Å; L139-N141 PolarHBondContact O-N 3.13Å; L139-T142 WeakPolarHBondContact CA-OG1 3.42Å; L139-T142 PolarHBondContact O-N 3.3Å; L139-T142 PolarHBondContact O-OG1 3.16Å; L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 3.33Å |
| 140 | K | 87.2 | Confident | 88 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 175.8 | -74.3 | 170 | -179 | 169.6 | 0 | 110.6 | V136 N137 I138 F144 | V136-K140 HydrophobicContact CG1-CD 3.97Å; V136-K140 VanDerWaalsContact CG1-CE 3.41Å; V136-K140 HydrophobicContact CG1-CG 4.43Å; V136-K140 WeakPolarHBondContact O-CB 3.42Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 3.39Å; N137-K140 PolarHBondContact O-N 3.33Å; I138-K140 PolarHBondContact O-N 2.91Å; K140-F144 WeakPolarHBondContact O-CB 3.27Å; K140-F144 PolarHBondContact O-N 3.24Å |
| 141 | N | 87.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 178.5 | -70.4 | -16.2 | 0 | 0 | 0 | 112.2 | N137 I138 L139 F144 K145 | N137-N141 VanDerWaalsContact O-CB 3.31Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.09Å; N137-N141 PolarHBondContact O-ND2 2.67Å; I138-N141 CarbonylContact O-C 3.6Å; I138-N141 WeakPolarHBondContact O-CB 3.07Å; I138-N141 PolarHBondContact O-N 2.83Å; I138-N141 VanDerWaalsContact O-N 3.13Å; L139-N141 PolarHBondContact O-N 3.13Å; N141-F144 PolarHBondContact O-N 3.4Å; N141-K145 WeakPolarHBondContact O-CB 3.41Å; N141-K145 PolarHBondContact O-N 3.44Å |
| 142 | T | 87.6 | Confident | 87.6 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 111 | I138 L139 F144 K145 E146 | I138-T142 HydrophobicContact CG2-CG2 4.19Å; I138-T142 WeakPolarHBondContact O-CG2 3.48Å; I138-T142 PolarHBondContact O-N 3.09Å; I138-T142 PolarHBondContact O-OG1 3.44Å; L139-T142 WeakPolarHBondContact CA-OG1 3.42Å; L139-T142 PolarHBondContact O-N 3.3Å; L139-T142 PolarHBondContact O-OG1 3.16Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.96Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-E146 WeakPolarHBondContact O-CG 3.45Å; T142-E146 PolarHBondContact O-N 2.97Å |
| 143 | I | 88.5 | Confident | 87.4 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59 | -44 | 175.6 | -65.7 | 166.5 | 0 | 0 | 0 | 110.4 | L139 E146 A147 | L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 3.33Å; I143-E146 PolarHBondContact O-N 3.02Å; I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.11Å |
| 144 | F | 89.4 | Confident | 87.2 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 177 | -176.7 | -105.3 | 0 | 0 | 0 | 112.3 | K140 N141 T142 A147 L148 | K140-F144 WeakPolarHBondContact O-CB 3.27Å; K140-F144 PolarHBondContact O-N 3.24Å; N141-F144 PolarHBondContact O-N 3.4Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.96Å; F144-A147 PolarHBondContact O-N 2.93Å; F144-L148 HydrophobicContact CD1-CD1 3.89Å; F144-L148 HydrophobicContact CD1-CG 4.5Å; F144-L148 HydrophobicContact CE1-CD1 3.33Å; F144-L148 HydrophobicContact CE1-CG 4.17Å; F144-L148 HydrophobicContact CE2-CD1 4.41Å; F144-L148 HydrophobicContact CE2-CG 4.5Å; F144-L148 HydrophobicContact CZ-CD1 3.64Å; F144-L148 HydrophobicContact CZ-CD2 4.48Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CG 3.35Å; F144-L148 PolarHBondContact O-N 3.16Å |
| 145 | K | 89.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 32% | 0.317 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.6 | -173.7 | -174 | 175.3 | -177 | 0 | 111 | N141 T142 L148 G149 I150 G151 | N141-K145 WeakPolarHBondContact O-CB 3.41Å; N141-K145 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.14Å; K145-L148 PolarHBondContact O-N 3.49Å; K145-G149 PolarHBondContact O-N 3.15Å; K145-I150 HydrophobicContact CD-CG2 4.24Å; K145-I150 VanDerWaalsContact CE-CG2 3.46Å; K145-I150 WeakPolarHBondContact CE-O 3.48Å; K145-I150 HydrophobicContact CG-CB 3.61Å; K145-I150 HydrophobicContact CG-CG2 3.74Å; K145-I150 WeakPolarHBondContact CG-O 3.36Å; K145-I150 WeakPolarHBondContact O-CB 3.13Å; K145-I150 PolarHBondContact O-N 2.91Å; K145-G151 WeakPolarHBondContact CE-O 3.4Å; K145-G151 PolarHBondContact NZ-O 2.87Å |
| 146 | E | 89.1 | Confident | 86.5 | Confident | 117 Ų | 117 | 87.7 Ų | 87.7 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.9 | -72.6 | -178.7 | 179.4 | 0 | 0 | 111.8 | T142 I143 L148 G149 | T142-E146 WeakPolarHBondContact O-CG 3.45Å; T142-E146 PolarHBondContact O-N 2.97Å; I143-E146 PolarHBondContact O-N 3.02Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.37Å; E146-G149 WeakPolarHBondContact O-CA 3.37Å; E146-G149 PolarHBondContact O-N 3.25Å |
| 147 | A | 91.5 | Very high | 86.3 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 69% | 0.694 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I143 F144 G149 | I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.11Å; F144-A147 PolarHBondContact O-N 2.93Å; A147-G149 PolarHBondContact O-N 3.35Å |
| 148 | L | 90.9 | Very high | 86.1 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.3 | 172.7 | -70.8 | -179.1 | 0 | 0 | 0 | 113.6 | F144 K145 E146 I150 | F144-L148 HydrophobicContact CD1-CD1 3.89Å; F144-L148 HydrophobicContact CD1-CG 4.5Å; F144-L148 HydrophobicContact CE1-CD1 3.33Å; F144-L148 HydrophobicContact CE1-CG 4.17Å; F144-L148 HydrophobicContact CE2-CD1 4.41Å; F144-L148 HydrophobicContact CE2-CG 4.5Å; F144-L148 HydrophobicContact CZ-CD1 3.64Å; F144-L148 HydrophobicContact CZ-CD2 4.48Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CG 3.35Å; F144-L148 PolarHBondContact O-N 3.16Å; K145-L148 PolarHBondContact O-N 3.49Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.37Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 HydrophobicContact CB-CD1 3.92Å; L148-I150 HydrophobicContact CB-CG1 3.88Å; L148-I150 HydrophobicContact CD1-CD1 4.01Å |
| 149 | G | 85.9 | Confident | 85.8 | Confident | 49 Ų | 49 | 91 Ų | 91 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 29.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K145 E146 A147 | K145-G149 PolarHBondContact O-N 3.15Å; E146-G149 WeakPolarHBondContact O-CA 3.37Å; E146-G149 PolarHBondContact O-N 3.25Å; A147-G149 PolarHBondContact O-N 3.35Å |
| 150 | I | 86.5 | Confident | 85.6 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 26% | 0.262 | 53% | 0.528 | S | S | . | . | trans | -93.5 | 106.5 | 176.3 | -57.4 | 176.4 | 0 | 0 | 0 | 107.2 | K145 L148 F154 | K145-I150 HydrophobicContact CD-CG2 4.24Å; K145-I150 VanDerWaalsContact CE-CG2 3.46Å; K145-I150 WeakPolarHBondContact CE-O 3.48Å; K145-I150 HydrophobicContact CG-CB 3.61Å; K145-I150 HydrophobicContact CG-CG2 3.74Å; K145-I150 WeakPolarHBondContact CG-O 3.36Å; K145-I150 WeakPolarHBondContact O-CB 3.13Å; K145-I150 PolarHBondContact O-N 2.91Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 HydrophobicContact CB-CD1 3.92Å; L148-I150 HydrophobicContact CB-CG1 3.88Å; L148-I150 HydrophobicContact CD1-CD1 4.01Å; I150-F154 HydrophobicContact CG2-CB 3.36Å; I150-F154 HydrophobicContact CG2-CD1 3.56Å; I150-F154 HydrophobicContact CG2-CD2 3.98Å; I150-F154 HydrophobicContact CG2-CE1 4.32Å; I150-F154 HydrophobicContact CG2-CG 3.35Å | ||
| 151 | G | 83.7 | Confident | 85.4 | Confident | 46 Ų | 46 | 95.7 Ų | 95.7 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | trans | -71.1 | 174 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K145 Q153 F154 | K145-G151 WeakPolarHBondContact CE-O 3.4Å; K145-G151 PolarHBondContact NZ-O 2.87Å; G151-Q153 PolarHBondContact O-N 2.92Å; G151-F154 WeakPolarHBondContact O-CB 3.46Å; G151-F154 PolarHBondContact O-N 3.47Å | ||
| 152 | E | 84.1 | Confident | 85.1 | Confident | 181 Ų | 181 | 94.5 Ų | 94.5 | 85% | 0.846 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33.7 | 172.9 | -169.5 | 171.8 | -174 | 0 | 0 | 112.2 | F154 | E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 VanDerWaalsContact O-N 3.15Å |
| 153 | Q | 82.3 | Confident | 84.9 | Confident | 170 Ų | 170 | 94.3 Ų | 94.3 | 79% | 0.794 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.6 | 178.7 | -56.9 | -66 | -21.3 | 0 | 0 | 114.4 | G151 Q155 | G151-Q153 PolarHBondContact O-N 2.92Å; Q153-Q155 PolarHBondContact O-N 3.33Å |
| 154 | F | 83.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 92.4 Ų | 92.4 | 34% | 0.338 | 52% | 0.522 | S | S | . | . | trans | -73.8 | 112.7 | -179.7 | -179.7 | -97.5 | 0 | 0 | 0 | 111 | I150 G151 E152 | I150-F154 HydrophobicContact CG2-CB 3.36Å; I150-F154 HydrophobicContact CG2-CD1 3.56Å; I150-F154 HydrophobicContact CG2-CD2 3.98Å; I150-F154 HydrophobicContact CG2-CE1 4.32Å; I150-F154 HydrophobicContact CG2-CG 3.35Å; G151-F154 WeakPolarHBondContact O-CB 3.46Å; G151-F154 PolarHBondContact O-N 3.47Å; E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 VanDerWaalsContact O-N 3.15Å | ||
| 155 | Q | 81.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 90.6 Ų | 90.6 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | trans | -99.5 | 134.8 | 170.2 | -65.9 | 178.6 | -0.8 | 0 | 0 | 109.9 | Q153 N158 | Q153-Q155 PolarHBondContact O-N 3.33Å; Q155-N158 HydrophobicContact CB-CB 4.4Å; Q155-N158 PolarHBondContact O-N 2.98Å; Q155-N158 PolarHBondContact OE1-ND2 2.89Å | ||
| 156 | D | 80.4 | Confident | 84.5 | Confident | 153 Ų | 153 | 94 Ų | 94 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 142.3 | 175.7 | -163.8 | 12.4 | 0 | 0 | 0 | 110.5 | N158 | D156-N158 VanDerWaalsContact C-N 3.29Å; D156-N158 PolarHBondContact O-N 3.01Å |
| 157 | G | 82.3 | Confident | 84.5 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -26.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S159 | G157-S159 PolarHBondContact O-N 3.17Å; G157-S159 VanDerWaalsContact O-N 3.17Å |
| 158 | N | 82.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.2 | 179.4 | -71.7 | -3.7 | 0 | 0 | 0 | 114 | Q155 D156 V160 E161 L162 | Q155-N158 HydrophobicContact CB-CB 4.4Å; Q155-N158 PolarHBondContact O-N 2.98Å; Q155-N158 PolarHBondContact OE1-ND2 2.89Å; D156-N158 VanDerWaalsContact C-N 3.29Å; D156-N158 PolarHBondContact O-N 3.01Å; N158-V160 VanDerWaalsContact C-N 3.27Å; N158-V160 PolarHBondContact O-N 3.26Å; N158-E161 PolarHBondContact O-N 2.88Å; N158-L162 WeakPolarHBondContact O-CB 2.98Å; N158-L162 PolarHBondContact O-N 3.21Å |
| 159 | S | 80.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.8 | -36.4 | -177.8 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | G157 A163 | G157-S159 PolarHBondContact O-N 3.17Å; G157-S159 VanDerWaalsContact O-N 3.17Å; S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.48Å |
| 160 | V | 83.5 | Confident | 84.7 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.2 | -44.5 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | N158 A163 V164 | N158-V160 VanDerWaalsContact C-N 3.27Å; N158-V160 PolarHBondContact O-N 3.26Å; V160-A163 WeakPolarHBondContact O-CB 3.46Å; V160-A163 PolarHBondContact O-N 3.38Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.14Å |
| 161 | E | 81.9 | Confident | 85 | Confident | 121 Ų | 121 | 99.6 Ų | 99.6 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.2 | -42.5 | -179.9 | -175.8 | 147.2 | -158.2 | 0 | 0 | 111.9 | N158 A163 V164 Q165 | N158-E161 PolarHBondContact O-N 2.88Å; E161-A163 PolarHBondContact O-N 3.22Å; E161-V164 CarbonylContact O-C 3.52Å; E161-V164 WeakPolarHBondContact O-CA 3.3Å; E161-V164 WeakPolarHBondContact O-CB 3.49Å; E161-V164 PolarHBondContact O-N 3.13Å; E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.41Å |
| 162 | L | 80.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 103.1 Ų | 103.1 | 28% | 0.283 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 173.3 | -154.2 | 91.9 | 0 | 0 | 0 | 111.2 | N158 R166 | N158-L162 WeakPolarHBondContact O-CB 2.98Å; N158-L162 PolarHBondContact O-N 3.21Å; L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 VanDerWaalsContact O-CG 3.22Å; L162-R166 WeakPolarHBondContact O-CG 3.46Å; L162-R166 PolarHBondContact O-N 3.46Å |
| 163 | A | 84 | Confident | 85.8 | Confident | 45 Ų | 45 | 98.1 Ų | 98.1 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.3 | -33.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S159 V160 E161 K167 | S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.48Å; V160-A163 WeakPolarHBondContact O-CB 3.46Å; V160-A163 PolarHBondContact O-N 3.38Å; E161-A163 PolarHBondContact O-N 3.22Å; A163-K167 VanDerWaalsContact O-CG 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.49Å; A163-K167 PolarHBondContact O-N 3Å; A163-K167 VanDerWaalsContact O-N 3.15Å |
| 164 | V | 87 | Confident | 86.4 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 39% | 0.394 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V160 E161 K167 K168 | V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.14Å; E161-V164 CarbonylContact O-C 3.52Å; E161-V164 WeakPolarHBondContact O-CA 3.3Å; E161-V164 WeakPolarHBondContact O-CB 3.49Å; E161-V164 PolarHBondContact O-N 3.13Å; V164-K167 WeakPolarHBondContact O-CB 3.47Å; V164-K167 PolarHBondContact O-N 3.26Å; V164-K168 HydrophobicContact CG1-CD 4.48Å; V164-K168 WeakPolarHBondContact O-CG 3.22Å; V164-K168 PolarHBondContact O-N 3.35Å |
| 165 | Q | 85.8 | Confident | 86.7 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -51.5 | 175.3 | -73.9 | 172 | -1.8 | 0 | 0 | 111 | E161 K167 K168 D169 | E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.41Å; Q165-K167 PolarHBondContact O-N 3.24Å; Q165-K167 VanDerWaalsContact O-N 3.11Å; Q165-K168 WeakPolarHBondContact O-CA 3.41Å; Q165-K168 WeakPolarHBondContact O-CB 3.43Å; Q165-K168 PolarHBondContact O-N 3.28Å; Q165-D169 VanDerWaalsContact O-CG 3.26Å; Q165-D169 PolarHBondContact O-N 2.93Å |
| 166 | R | 86.2 | Confident | 87.2 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -53.2 | -37.9 | 174.4 | -75.5 | 174.3 | -178.6 | -175.5 | -0.8 | 112.8 | L162 D170 | L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 VanDerWaalsContact O-CG 3.22Å; L162-R166 WeakPolarHBondContact O-CG 3.46Å; L162-R166 PolarHBondContact O-N 3.46Å; R166-D170 WeakPolarHBondContact O-CB 3.46Å; R166-D170 PolarHBondContact O-N 3.09Å |
| 167 | K | 88.8 | Confident | 87.8 | Confident | 151 Ų | 151 | 96.7 Ų | 96.7 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.2 | -36.7 | 175.3 | -78.4 | 176 | -178.7 | 178.5 | 0 | 113.2 | A163 V164 Q165 A171 | A163-K167 VanDerWaalsContact O-CG 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.49Å; A163-K167 PolarHBondContact O-N 3Å; A163-K167 VanDerWaalsContact O-N 3.15Å; V164-K167 WeakPolarHBondContact O-CB 3.47Å; V164-K167 PolarHBondContact O-N 3.26Å; Q165-K167 PolarHBondContact O-N 3.24Å; Q165-K167 VanDerWaalsContact O-N 3.11Å; K167-A171 WeakPolarHBondContact O-CB 3.48Å; K167-A171 PolarHBondContact O-N 2.99Å; K167-A171 VanDerWaalsContact O-N 3.11Å |
| 168 | K | 91 | Very high | 88.1 | Confident | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -48.3 | 175.6 | -72 | 177.3 | 178.8 | 179.6 | 0 | 110.2 | V164 Q165 D170 A171 E172 | V164-K168 HydrophobicContact CG1-CD 4.48Å; V164-K168 WeakPolarHBondContact O-CG 3.22Å; V164-K168 PolarHBondContact O-N 3.35Å; Q165-K168 WeakPolarHBondContact O-CA 3.41Å; Q165-K168 WeakPolarHBondContact O-CB 3.43Å; Q165-K168 PolarHBondContact O-N 3.28Å; K168-D170 PolarHBondContact O-N 3.3Å; K168-A171 CarbonylContact O-C 3.58Å; K168-A171 WeakPolarHBondContact O-CA 3.18Å; K168-A171 WeakPolarHBondContact O-CB 3.42Å; K168-A171 PolarHBondContact O-N 3.06Å; K168-E172 PolarHBondContact O-N 3.04Å |
| 169 | D | 90.9 | Very high | 88.5 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.7 | -54.5 | -18.3 | 0 | 0 | 0 | 110.9 | Q165 A171 E172 T173 | Q165-D169 VanDerWaalsContact O-CG 3.26Å; Q165-D169 PolarHBondContact O-N 2.93Å; D169-A171 PolarHBondContact O-N 2.96Å; D169-E172 PolarHBondContact O-N 3.15Å; D169-T173 WeakPolarHBondContact O-CB 3.47Å; D169-T173 WeakPolarHBondContact O-CG2 3.37Å; D169-T173 PolarHBondContact O-N 3.31Å; D169-T173 PolarHBondContact O-OG1 3.28Å |
| 170 | D | 91.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -28.2 | 173.6 | -84.2 | -7.6 | 0 | 0 | 0 | 113.1 | R166 K168 T173 K174 | R166-D170 WeakPolarHBondContact O-CB 3.46Å; R166-D170 PolarHBondContact O-N 3.09Å; K168-D170 PolarHBondContact O-N 3.3Å; D170-T173 WeakPolarHBondContact CA-OG1 3.36Å; D170-T173 PolarHBondContact O-OG1 3.11Å; D170-K174 WeakPolarHBondContact O-CD 3.39Å; D170-K174 WeakPolarHBondContact O-CE 3.21Å; D170-K174 WeakPolarHBondContact O-CG 3.19Å; D170-K174 PolarHBondContact O-N 2.81Å |
| 171 | A | 92.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 101.2 Ų | 101.2 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.5 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K167 K168 D169 K174 R175 | K167-A171 WeakPolarHBondContact O-CB 3.48Å; K167-A171 PolarHBondContact O-N 2.99Å; K167-A171 VanDerWaalsContact O-N 3.11Å; K168-A171 CarbonylContact O-C 3.58Å; K168-A171 WeakPolarHBondContact O-CA 3.18Å; K168-A171 WeakPolarHBondContact O-CB 3.42Å; K168-A171 PolarHBondContact O-N 3.06Å; D169-A171 PolarHBondContact O-N 2.96Å; A171-K174 PolarHBondContact O-N 3.24Å; A171-R175 WeakPolarHBondContact O-CB 3.17Å; A171-R175 PolarHBondContact O-N 2.84Å |
| 172 | E | 92 | Very high | 89.2 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 176.8 | -173.2 | 172.5 | -173 | 0 | 0 | 111.6 | K168 D169 K174 R175 L176 | K168-E172 PolarHBondContact O-N 3.04Å; D169-E172 PolarHBondContact O-N 3.15Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 2.88Å; E172-R175 WeakPolarHBondContact O-CB 3.5Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-L176 HydrophobicContact CG-CD1 4.45Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 3Å |
| 173 | T | 92 | Very high | 89 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | D169 D170 V177 | D169-T173 WeakPolarHBondContact O-CB 3.47Å; D169-T173 WeakPolarHBondContact O-CG2 3.37Å; D169-T173 PolarHBondContact O-N 3.31Å; D169-T173 PolarHBondContact O-OG1 3.28Å; D170-T173 WeakPolarHBondContact CA-OG1 3.36Å; D170-T173 PolarHBondContact O-OG1 3.11Å; T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.87Å |
| 174 | K | 93.6 | Very high | 88.7 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.4 | -76.9 | 170.3 | -163.3 | 149.9 | 0 | 112 | D170 A171 E172 V177 E178 | D170-K174 WeakPolarHBondContact O-CD 3.39Å; D170-K174 WeakPolarHBondContact O-CE 3.21Å; D170-K174 WeakPolarHBondContact O-CG 3.19Å; D170-K174 PolarHBondContact O-N 2.81Å; A171-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 2.88Å; K174-V177 PolarHBondContact O-N 2.93Å; K174-E178 WeakPolarHBondContact O-CB 3.42Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3Å |
| 175 | R | 91.7 | Very high | 88 | Confident | 197 Ų | 197 | 112 Ų | 112 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 178.5 | -170.4 | -178 | -179.9 | -173.3 | 0 | 111.7 | A171 E172 E178 A179 | A171-R175 WeakPolarHBondContact O-CB 3.17Å; A171-R175 PolarHBondContact O-N 2.84Å; E172-R175 WeakPolarHBondContact O-CB 3.5Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-E178 PolarHBondContact O-N 3.44Å; R175-A179 WeakPolarHBondContact O-CB 3.43Å; R175-A179 PolarHBondContact O-N 3.22Å |
| 176 | L | 91.5 | Very high | 86.8 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.8 | -42.1 | 175.1 | -74.2 | 172.8 | 0 | 0 | 0 | 111.9 | E172 E178 A179 Q180 | E172-L176 HydrophobicContact CG-CD1 4.45Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 3Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.29Å; L176-A179 PolarHBondContact O-N 2.86Å; L176-Q180 WeakPolarHBondContact O-CB 3.4Å; L176-Q180 WeakPolarHBondContact O-CG 3.48Å; L176-Q180 PolarHBondContact O-N 3.34Å |
| 177 | V | 92 | Very high | 85.5 | Confident | 71 Ų | 71 | 113 Ų | 113 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -34.4 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 112 | T173 K174 K181 | T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.87Å; K174-V177 PolarHBondContact O-N 2.93Å; V177-K181 VanDerWaalsContact O-CG 3.3Å; V177-K181 WeakPolarHBondContact O-CG 3.39Å; V177-K181 PolarHBondContact O-N 2.82Å |
| 178 | E | 90.1 | Very high | 84 | Confident | 117 Ų | 117 | 110.7 Ų | 110.7 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.8 | -47.3 | 174.4 | -75.8 | 170.6 | -175.5 | 0 | 0 | 111.2 | K174 R175 L176 Q180 K181 E182 | K174-E178 WeakPolarHBondContact O-CB 3.42Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3Å; R175-E178 PolarHBondContact O-N 3.44Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.29Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.38Å; E178-K181 WeakPolarHBondContact O-CA 3.49Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 3.02Å; E178-E182 PolarHBondContact O-N 3.11Å |
| 179 | A | 90.3 | Very high | 82.3 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R175 L176 K181 E182 M183 | R175-A179 WeakPolarHBondContact O-CB 3.43Å; R175-A179 PolarHBondContact O-N 3.22Å; L176-A179 PolarHBondContact O-N 2.86Å; A179-K181 VanDerWaalsContact C-N 3.26Å; A179-K181 PolarHBondContact O-N 3.48Å; A179-E182 PolarHBondContact O-N 3.48Å; A179-M183 WeakPolarHBondContact O-CG 3.3Å; A179-M183 PolarHBondContact O-N 3.12Å |
| 180 | Q | 88.9 | Confident | 80.5 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.2 | -29.4 | 174.4 | -78 | -177.1 | -8.2 | 0 | 0 | 113.1 | L176 E178 K184 | L176-Q180 WeakPolarHBondContact O-CB 3.4Å; L176-Q180 WeakPolarHBondContact O-CG 3.48Å; L176-Q180 PolarHBondContact O-N 3.34Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.38Å; Q180-K184 WeakPolarHBondContact O-CG 3.4Å; Q180-K184 PolarHBondContact O-N 2.86Å |
| 181 | K | 88 | Confident | 78.4 | Confident | 107 Ų | 107 | 114 Ų | 114 | 47% | 0.465 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.9 | -41.9 | 174.7 | -73.9 | 169.6 | -174 | 169.5 | 0 | 111.6 | V177 E178 A179 K184 T185 | V177-K181 VanDerWaalsContact O-CG 3.3Å; V177-K181 WeakPolarHBondContact O-CG 3.39Å; V177-K181 PolarHBondContact O-N 2.82Å; E178-K181 WeakPolarHBondContact O-CA 3.49Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 3.02Å; A179-K181 VanDerWaalsContact C-N 3.26Å; A179-K181 PolarHBondContact O-N 3.48Å; K181-K184 PolarHBondContact O-N 2.93Å; K181-T185 WeakPolarHBondContact O-CG2 3.49Å; K181-T185 PolarHBondContact O-N 3.46Å; K181-T185 PolarHBondContact O-OG1 3.37Å |
| 182 | E | 83.1 | Confident | 76 | Confident | 127 Ų | 127 | 118.3 Ų | 118.3 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62 | -43 | 176.9 | -71.8 | 179.2 | 175.5 | 0 | 0 | 111.5 | E178 A179 K184 T185 L186 | E178-E182 PolarHBondContact O-N 3.11Å; A179-E182 PolarHBondContact O-N 3.48Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 3.27Å; E182-T185 WeakPolarHBondContact CA-OG1 3.34Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 PolarHBondContact O-OG1 2.93Å; E182-L186 WeakPolarHBondContact O-CG 3.46Å; E182-L186 PolarHBondContact O-N 3.32Å; E182-L186 VanDerWaalsContact O-N 3.11Å |
| 183 | M | 76.6 | Confident | 73.5 | Confident | 137 Ų | 137 | 120.5 Ų | 120.5 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60 | -41.8 | 174.1 | -72.2 | -67.4 | -67.3 | 0 | 0 | 112.2 | A179 T185 L186 D187 | A179-M183 WeakPolarHBondContact O-CG 3.3Å; A179-M183 PolarHBondContact O-N 3.12Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.87Å; M183-L186 PolarHBondContact O-N 3.32Å; M183-D187 PolarHBondContact O-N 2.88Å; M183-D187 VanDerWaalsContact O-N 3.17Å |
| 184 | K | 78.3 | Confident | 71 | Confident | 158 Ų | 158 | 123.4 Ų | 123.4 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.4 | -29.7 | 176.8 | -77.9 | 178.6 | 178.8 | -173.2 | 0 | 113.5 | Q180 K181 E182 | Q180-K184 WeakPolarHBondContact O-CG 3.4Å; Q180-K184 PolarHBondContact O-N 2.86Å; K181-K184 PolarHBondContact O-N 2.93Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 3.27Å |
| 185 | T | 71.9 | Confident | 68.4 | Low | 88 Ų | 88 | 122.7 Ų | 122.7 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.5 | -31.1 | 177.7 | 49 | 0 | 0 | 0 | 0 | 112.6 | K181 E182 M183 S189 | K181-T185 WeakPolarHBondContact O-CG2 3.49Å; K181-T185 PolarHBondContact O-N 3.46Å; K181-T185 PolarHBondContact O-OG1 3.37Å; E182-T185 WeakPolarHBondContact CA-OG1 3.34Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 PolarHBondContact O-OG1 2.93Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.87Å; T185-S189 PolarHBondContact O-OG 3.32Å |
| 186 | L | 61.6 | Low | 65.9 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.6 | -37.5 | 177.6 | -68.1 | 169.6 | 0 | 0 | 0 | 111.9 | E182 M183 S188 S189 | E182-L186 WeakPolarHBondContact O-CG 3.46Å; E182-L186 PolarHBondContact O-N 3.32Å; E182-L186 VanDerWaalsContact O-N 3.11Å; M183-L186 PolarHBondContact O-N 3.32Å; L186-S188 PolarHBondContact O-N 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 2.96Å; L186-S189 VanDerWaalsContact O-N 3.09Å |
| 187 | D | 57.9 | Low | 63.2 | Low | 139 Ų | 139 | 119.5 Ų | 119.5 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -8.8 | 176.6 | -159.9 | 41.7 | 0 | 0 | 0 | 113.8 | M183 | M183-D187 PolarHBondContact O-N 2.88Å; M183-D187 VanDerWaalsContact O-N 3.17Å |
| 188 | S | 57.4 | Low | 61 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 12 | 172 | -71 | 0 | 0 | 0 | 0 | 113.4 | L186 | L186-S188 PolarHBondContact O-N 3.32Š|
| 189 | S | 55.8 | Low | 58.5 | Low | 79 Ų | 79 | 122.9 Ų | 122.9 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.1 | -1.9 | -176 | -55 | 0 | 0 | 0 | 0 | 114.7 | T185 L186 | T185-S189 PolarHBondContact O-OG 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 2.96Å; L186-S189 VanDerWaalsContact O-N 3.09Å |
| 190 | D | 52.5 | Low | 56.2 | Low | 149 Ų | 149 | 126.1 Ų | 126.1 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.9 | 12.1 | -175.1 | -77.7 | -37.9 | 0 | 0 | 0 | 115.1 | ||
| 191 | D | 48.4 | Very low | 54 | Low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | -114.3 | 82.6 | 171.6 | -73.8 | -54.8 | 0 | 0 | 0 | 110.9 | ||||
| 192 | D | 42.3 | Very low | 51.6 | Low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -72.8 | 143.7 | 164.1 | -83.9 | -51.3 | 0 | 0 | 0 | 111 | ||||
| 193 | E | 39.9 | Very low | 49.8 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 89.8 | 162.5 | -59.3 | -70.4 | 156 | 0 | 0 | 118.4 | ||||
| 194 | V | 38.4 | Very low | 48.4 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | 165.5 | 132.8 | 114.1 | -81.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 195 | S | 39.2 | Very low | 46.9 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 68.5 | 97.2 | 147.6 | 165.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 196 | S | 40.2 | Very low | 45.7 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 151 | 106.1 | 106.6 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | I198 | S196-I198 PolarHBondContact O-N 3.03Š| |||
| 197 | S | 35.4 | Very low | 45.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -64.5 | 101.6 | 164.5 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 198 | I | 45.1 | Very low | 44.8 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | trans | -155.8 | 136.3 | 147 | -157.4 | 149.5 | 0 | 0 | 0 | 112.7 | S196 | S196-I198 PolarHBondContact O-N 3.03Š| ||
| 199 | S | 37.7 | Very low | 44.7 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -48.3 | 136.6 | -177.8 | 48.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 200 | S | 42.3 | Very low | 44.6 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -169.2 | 95.4 | 133.8 | 44 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 201 | H | 41.4 | Very low | 44.5 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | 78.1 | 72.8 | 101.7 | -111.9 | 45.6 | 0 | 0 | 0 | 116 | K203 | H201-K203 PolarHBondContact O-N 3.24Š| |||
| 202 | S | 37.5 | Very low | 44.7 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | 21.1 | 75.8 | 120 | -54 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 203 | K | 45.4 | Very low | 45.3 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | trans | -146.3 | 74.4 | 166 | -73.3 | -176.4 | -178.6 | 165.7 | 0 | 111.2 | H201 | H201-K203 PolarHBondContact O-N 3.24Š| ||
| 204 | D | 47.3 | Very low | 45.9 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -157.5 | -6.9 | 160.2 | -109.1 | -30 | 0 | 0 | 0 | 117.8 | N206 | D204-N206 PolarHBondContact O-N 3.36Š|
| 205 | N | 48.4 | Very low | 46.5 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -89 | 1.9 | -177.8 | -77 | -36.1 | 0 | 0 | 0 | 115.5 | ||
| 206 | N | 46.1 | Very low | 47.1 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -94 | -23.6 | -176 | -148.2 | -20.2 | 0 | 0 | 0 | 114.2 | D204 Q210 | D204-N206 PolarHBondContact O-N 3.36Å; N206-Q210 PolarHBondContact O-N 2.99Å |
| 207 | L | 51 | Low | 47.8 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 62% | 0.618 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -74.1 | -32 | 179.9 | -85.1 | 113.9 | 0 | 0 | 0 | 113.6 | H211 | L207-H211 PolarHBondContact O-N 3.42Å |
| 208 | K | 50.3 | Low | 48.5 | Very low | 157 Ų | 157 | 143 Ų | 143 | 68% | 0.683 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -74.6 | -25.9 | 179.8 | -93.7 | 173.4 | 178.2 | 167.6 | 0 | 114.2 | ||
| 209 | Q | 54 | Low | 48.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 58% | 0.584 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -82.9 | -29 | 175.5 | -68.4 | -167.5 | 23.3 | 0 | 0 | 112.7 | R213 | Q209-R213 PolarHBondContact O-N 3.11Å |
| 210 | Q | 54.9 | Low | 49.3 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 50% | 0.5 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -71.4 | -34.6 | 176.5 | -70.8 | -164.8 | 27.2 | 0 | 0 | 113.6 | N206 R213 K214 | N206-Q210 PolarHBondContact O-N 2.99Å; Q210-R213 PolarHBondContact O-N 3.32Å; Q210-K214 PolarHBondContact O-N 2.97Å |
| 211 | H | 50.1 | Low | 49.8 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.9 | -29.7 | 175.7 | -87.2 | -88.8 | 0 | 0 | 0 | 113.6 | L207 K215 | L207-H211 PolarHBondContact O-N 3.42Å; H211-K215 PolarHBondContact O-N 3.45Å |
| 212 | K | 52.9 | Low | 50 | Low | 175 Ų | 175 | 149.5 Ų | 149.5 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.5 | -31.4 | 174.3 | -89 | -179.1 | 175.2 | 176.7 | 0 | 112.8 | ||
| 213 | R | 53.6 | Low | 50.4 | Low | 185 Ų | 185 | 146.9 Ų | 146.9 | 70% | 0.698 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.8 | -41.1 | 176.4 | -73.6 | -178.2 | 169.4 | -179.3 | -2.6 | 112.5 | Q209 Q210 K215 K216 E217 | Q209-R213 PolarHBondContact O-N 3.11Å; Q210-R213 PolarHBondContact O-N 3.32Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.18Å; R213-K216 PolarHBondContact O-N 3.42Å; R213-E217 PolarHBondContact O-N 3.17Å |
| 214 | K | 53 | Low | 50.6 | Low | 141 Ų | 141 | 143.8 Ų | 143.8 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.1 | -27.3 | 175.6 | -74.5 | -176.2 | 176.7 | 176.4 | 0 | 114.1 | Q210 | Q210-K214 PolarHBondContact O-N 2.97Å |
| 215 | K | 51.3 | Low | 50.5 | Low | 165 Ų | 165 | 146.5 Ų | 146.5 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.5 | -24.1 | 176.9 | -153.8 | 172.1 | -173.9 | 174.5 | 0 | 113.2 | H211 R213 | H211-K215 PolarHBondContact O-N 3.45Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.18Å |
| 216 | K | 52.4 | Low | 50.3 | Low | 168 Ų | 168 | 148.7 Ų | 148.7 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.8 | -30.6 | 175 | -104.2 | -179.8 | 175.1 | 179.9 | 0 | 112.8 | R213 K220 | R213-K216 PolarHBondContact O-N 3.42Å; K216-K220 PolarHBondContact O-N 3.09Å |
| 217 | E | 53.6 | Low | 50.2 | Low | 130 Ų | 130 | 154 Ų | 154 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.7 | -36.7 | 175.2 | -79.6 | -172.4 | 134.4 | 0 | 0 | 114 | R213 K219 K220 K221 | R213-E217 PolarHBondContact O-N 3.17Å; E217-K219 PolarHBondContact O-N 2.78Å; E217-K220 PolarHBondContact O-N 3.19Å; E217-K221 PolarHBondContact O-N 2.92Å |
| 218 | K | 50.3 | Low | 49.8 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -66.1 | -23.7 | 175.2 | -89.1 | -176.9 | 174.1 | 179.5 | 0 | 113.4 | ||
| 219 | K | 50.3 | Low | 49.4 | Very low | 163 Ų | 163 | 159.3 Ų | 159.3 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.5 | -31.7 | 174.5 | -79.7 | -171 | 173 | -173.2 | 0 | 113.2 | E217 | E217-K219 PolarHBondContact O-N 2.78Å |
| 220 | K | 50 | Low | 48.7 | Very low | 159 Ų | 159 | 158.1 Ų | 158.1 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -75.2 | -28.4 | 175.3 | -73.5 | -170.3 | 175.9 | -173.9 | 0 | 113.5 | K216 E217 S223 V224 | K216-K220 PolarHBondContact O-N 3.09Å; E217-K220 PolarHBondContact O-N 3.19Å; K220-S223 PolarHBondContact O-OG 3.31Å; K220-V224 WeakPolarHBondContact O-CG2 3.44Å |
| 221 | K | 51.4 | Low | 48.1 | Very low | 167 Ų | 167 | 162 Ų | 162 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -77 | -17 | 175.8 | -68 | -170.7 | 178.6 | -176.7 | 0 | 114.5 | E217 | E217-K221 PolarHBondContact O-N 2.92Å |
| 222 | K | 46.9 | Very low | 47.8 | Very low | 173 Ų | 173 | 161.3 Ų | 161.3 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -88.5 | -22.6 | 175.3 | -102.4 | -178.6 | 175.8 | -178.7 | 0 | 113.8 | ||
| 223 | S | 45.1 | Very low | 47.3 | Very low | 70 Ų | 70 | 156.3 Ų | 156.3 | 49% | 0.49 | 74% | 0.743 | S | S | . | * | H | α-helix | trans | -85.8 | -16.2 | 178 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | K220 | K220-S223 PolarHBondContact O-OG 3.31Å |
| 224 | V | 50.6 | Low | 46.8 | Very low | 109 Ų | 109 | 155 Ų | 155 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -87.7 | -18.5 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | K220 | K220-V224 WeakPolarHBondContact O-CG2 3.44Š|
| 225 | K | 45.1 | Very low | 46.6 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -3.7 | 176.7 | -83.3 | -172.5 | 172.9 | -175.4 | 0 | 115.2 | ||
| 226 | K | 43.9 | Very low | 46.5 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 14.2 | -178.5 | -79.7 | -161.5 | 173 | -167.8 | 0 | 114.8 | ||
| 227 | R | 43.2 | Very low | 46.2 | Very low | 220 Ų | 220 | 153.9 Ų | 153.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -128.2 | 26.4 | -175.8 | -77.6 | -172.6 | 155.1 | -178 | -6.7 | 114.9 | ||
| 228 | K | 44.2 | Very low | 45.7 | Very low | 190 Ų | 190 | 155.3 Ų | 155.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -118 | 19.2 | -180 | -81.9 | -159.7 | 172.6 | -167 | 0 | 115.5 | ||
| 229 | H | 41.4 | Very low | 45.4 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -125.6 | 29 | -178.9 | -96 | -53.1 | 0 | 0 | 0 | 115.4 | ||
| 230 | S | 39.4 | Very low | 44.8 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -147.4 | 88.1 | 176.4 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 231 | Q | 42.2 | Very low | 44.6 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 171.9 | 146.2 | 147.6 | -97.4 | 172.9 | -8.2 | 0 | 0 | 110.4 | ||||
| 232 | S | 44.3 | Very low | 44.3 | Very low | 129 Ų | 129 | 144 Ų | 144 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | 69 | 123.1 | -176.5 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 233 | G | 42.1 | Very low | 44 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 149.6 | 132.1 | 14.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 234 | D | 41.8 | Very low | 44 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -48 | 136.6 | 174.7 | -53.9 | -75.2 | 0 | 0 | 0 | 111.4 | ||||
| 235 | D | 49.8 | Very low | 43.6 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | 179.2 | 150.8 | 132.1 | -96 | -33.7 | 0 | 0 | 0 | 111.4 | ||||
| 236 | D | 48.1 | Very low | 43.5 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -69.3 | 172.4 | -163.4 | -64.4 | -68.9 | 0 | 0 | 0 | 116.6 | ||||
| 237 | N | 47.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 105.6 | 106.2 | 140.9 | -115.3 | -18 | 0 | 0 | 0 | 119 | ||||
| 238 | D | 41.7 | Very low | 43.2 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | 35.8 | 140.8 | 122.2 | -157.5 | 26.4 | 0 | 0 | 0 | 121 | |||||
| 239 | G | 43.6 | Very low | 43.2 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 129.2 | 89.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 240 | G | 38.7 | Very low | 43.4 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -64.9 | 153.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 241 | S | 46.4 | Very low | 43.4 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -177 | 123.6 | 138.4 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 242 | N | 43.4 | Very low | 43.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -18.2 | 125.4 | 160.5 | -61.5 | -37 | 0 | 0 | 0 | 116.5 | ||||
| 243 | G | 42.3 | Very low | 43.4 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -147 | 103.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 244 | V | 45.1 | Very low | 43.5 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 95% | 0.952 | 83% | 0.825 | S | S | * | * | trans | -55.8 | 138.6 | 174.8 | -75.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 245 | G | 42.2 | Very low | 43.8 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -176.3 | 82.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 246 | E | 43 | Very low | 43.7 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | trans | 50.6 | 116.2 | 149.9 | -84.4 | 176.7 | 138.1 | 0 | 0 | 123 | ||||
| 247 | F | 35.9 | Very low | 43.5 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 141.9 | 168.9 | -97.9 | -114.9 | 0 | 0 | 0 | 113.9 | ||||
| 248 | N | 44.9 | Very low | 43.3 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -158.3 | 87.5 | 139.5 | -90.2 | -41.3 | 0 | 0 | 0 | 109.1 | ||||
| 249 | F | 43.3 | Very low | 43.7 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -121.2 | 110.6 | 161.5 | -110.8 | -89.1 | 0 | 0 | 0 | 108.1 | ||||
| 250 | T | 46.3 | Very low | 44 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -71.7 | 141.1 | 173.6 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 251 | S | 37.9 | Very low | 44.2 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -67.7 | 133.8 | -167.3 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 252 | S | 44.6 | Very low | 44.2 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 90.4 | 147.6 | -119.8 | 0 | 0 | 0 | 0 | 109.7 | M254 | S252-M254 PolarHBondContact O-N 3.47Š| ||
| 253 | S | 43.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 25.1 | 86.9 | 143.6 | -179.7 | 0 | 0 | 0 | 0 | 116.6 | T255 | S253-T255 PolarHBondContact O-N 3.19Š| ||
| 254 | M | 43.4 | Very low | 44.4 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 96.6 | 154.2 | -107.7 | -173.3 | 168.3 | 0 | 0 | 108.1 | S252 Y256 | S252-M254 PolarHBondContact O-N 3.47Å; M254-Y256 PolarHBondContact O-N 3.43Å | ||
| 255 | T | 47.4 | Very low | 44.4 | Very low | 103 Ų | 103 | 152.6 Ų | 152.6 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 110 | 163.9 | 37.6 | 0 | 0 | 0 | 0 | 108.6 | S253 H257 | S253-T255 PolarHBondContact O-N 3.19Å; T255-H257 PolarHBondContact O-N 3.45Å; T255-H257 VanDerWaalsContact O-N 3.13Å | ||
| 256 | Y | 47.4 | Very low | 44.5 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 102 | 168 | -77.3 | -93.4 | 0 | 0 | 0 | 109.1 | M254 H258 | M254-Y256 PolarHBondContact O-N 3.43Å; Y256-H258 PolarHBondContact O-N 3.47Å | ||
| 257 | H | 44.6 | Very low | 44.8 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -80.9 | 97.2 | 161.3 | -81.2 | -66.6 | 0 | 0 | 0 | 108.8 | T255 T259 | T255-H257 PolarHBondContact O-N 3.45Å; T255-H257 VanDerWaalsContact O-N 3.13Å; H257-T259 PolarHBondContact O-N 3.47Å | ||
| 258 | H | 44.8 | Very low | 45.1 | Very low | 157 Ų | 157 | 159 Ų | 159 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -72.2 | 102.8 | 157.3 | -77.8 | 11 | 0 | 0 | 0 | 108.2 | Y256 N260 | Y256-H258 PolarHBondContact O-N 3.47Å; H258-N260 PolarHBondContact O-N 3.06Å | ||
| 259 | T | 49 | Very low | 45.3 | Very low | 127 Ų | 127 | 161.6 Ų | 161.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -84.2 | 104.1 | 160.1 | 49.7 | 0 | 0 | 0 | 0 | 107.5 | H257 D261 | H257-T259 PolarHBondContact O-N 3.47Å; T259-D261 PolarHBondContact O-N 3.18Å; T259-D261 VanDerWaalsContact O-N 3.11Å | ||
| 260 | N | 50.3 | Low | 45.3 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -60 | 109 | 166.3 | -74.7 | -39.4 | 0 | 0 | 0 | 108.5 | H258 E262 | H258-N260 PolarHBondContact O-N 3.06Å; N260-E262 PolarHBondContact O-N 3.25Å | ||
| 261 | D | 43.6 | Very low | 45.4 | Very low | 147 Ų | 147 | 162.4 Ų | 162.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 67.1 | 172 | -141.9 | -17.9 | 0 | 0 | 0 | 108.4 | T259 R263 | T259-D261 PolarHBondContact O-N 3.18Å; T259-D261 VanDerWaalsContact O-N 3.11Å; D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 3.28Å | ||
| 262 | E | 44.7 | Very low | 45.7 | Very low | 162 Ų | 162 | 164.5 Ų | 164.5 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -84 | 81 | 168.9 | -90.6 | -84.7 | 151.2 | 0 | 0 | 108 | N260 S264 | N260-E262 PolarHBondContact O-N 3.25Å; E262-S264 PolarHBondContact O-N 3.46Å | ||
| 263 | R | 44 | Very low | 45.7 | Very low | 234 Ų | 234 | 167.9 Ų | 167.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -68.2 | 74.5 | 161.8 | -97.2 | -177.4 | 174.1 | -168 | -0.2 | 109.3 | D261 R265 | D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 3.28Å; R263-R265 PolarHBondContact O-N 3.31Å | ||
| 264 | S | 47 | Very low | 45.7 | Very low | 86 Ų | 86 | 168.3 Ų | 168.3 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -84 | 108.1 | 168.9 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | E262 R266 | E262-S264 PolarHBondContact O-N 3.46Å; S264-R266 PolarHBondContact O-N 3.26Å | ||
| 265 | R | 45.6 | Very low | 45.6 | Very low | 221 Ų | 221 | 169.1 Ų | 169.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 36.9 | 85.4 | 141.7 | -64.3 | 175.4 | 174.4 | 169.7 | -1.6 | 116.4 | R263 K267 | R263-R265 PolarHBondContact O-N 3.31Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.21Å | ||
| 266 | R | 43.6 | Very low | 45.8 | Very low | 255 Ų | 255 | 173.4 Ų | 173.4 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 90.5 | 157.7 | -166.3 | 174.2 | -175.4 | -167.8 | 0.9 | 109 | S264 | S264-R266 PolarHBondContact O-N 3.26Š| ||
| 267 | K | 48.6 | Very low | 45.6 | Very low | 159 Ų | 159 | 171.3 Ų | 171.3 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -67.9 | 133.8 | 164.6 | -83.2 | 179.9 | 174.2 | 179 | 0 | 108.8 | R265 Y269 | R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.21Å; K267-Y269 HydrophobicContact CB-CE2 4.45Å; K267-Y269 PolarHBondContact O-N 3.28Å | ||
| 268 | Q | 43.5 | Very low | 46.1 | Very low | 189 Ų | 189 | 172.8 Ų | 172.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -59.8 | 126.9 | 165.8 | -70.7 | 178.6 | -38.2 | 0 | 0 | 109.2 | ||||
| 269 | Y | 49.2 | Very low | 46.1 | Very low | 214 Ų | 214 | 174 Ų | 174 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -129.9 | 130.4 | 149.5 | -78.5 | -74.5 | 0 | 0 | 0 | 107.9 | K267 | K267-Y269 HydrophobicContact CB-CE2 4.45Å; K267-Y269 PolarHBondContact O-N 3.28Å | ||
| 270 | H | 42 | Very low | 46.2 | Very low | 160 Ų | 160 | 172.9 Ų | 172.9 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -91.3 | 121.8 | -176.2 | -175 | 74.2 | 0 | 0 | 0 | 106.3 | Q272 | H270-Q272 PolarHBondContact NE2-NE2 3.2Š| ||
| 271 | E | 49 | Very low | 46.2 | Very low | 194 Ų | 194 | 171.5 Ų | 171.5 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -129.5 | 122 | 166.5 | -148.5 | 163.3 | -156.6 | 0 | 0 | 107.2 | ||||
| 272 | Q | 44.1 | Very low | 46.5 | Very low | 160 Ų | 160 | 172.9 Ų | 172.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 127.1 | -174.8 | -66.6 | 171 | -4.8 | 0 | 0 | 108 | H270 | H270-Q272 PolarHBondContact NE2-NE2 3.2Š| ||
| 273 | E | 43.7 | Very low | 46.8 | Very low | 190 Ų | 190 | 173.3 Ų | 173.3 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 156.1 | 156.9 | -146.9 | 169.7 | -170.3 | 0 | 0 | 110.6 | ||||
| 274 | S | 43.3 | Very low | 46.9 | Very low | 111 Ų | 111 | 174.2 Ų | 174.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 152.1 | -137.1 | -31.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 275 | Q | 42.2 | Very low | 47.3 | Very low | 183 Ų | 183 | 175.4 Ų | 175.4 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 134.5 | 171 | -59.3 | -178.8 | -10.6 | 0 | 0 | 111.4 | ||||
| 276 | E | 52 | Low | 47.3 | Very low | 193 Ų | 193 | 174.3 Ų | 174.3 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -139.5 | 130.1 | 145.5 | -78.5 | -166.5 | 160.3 | 0 | 0 | 110.2 | ||||
| 277 | E | 43.2 | Very low | 47.9 | Very low | 145 Ų | 145 | 167.8 Ų | 167.8 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -79.7 | 138.3 | -172.7 | -56.3 | -174.9 | 123.3 | 0 | 0 | 112.4 | ||||
| 278 | H | 53.8 | Low | 48 | Very low | 197 Ų | 197 | 169.7 Ų | 169.7 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | trans | -145.4 | 112.4 | 146.1 | -78.2 | -61.9 | 0 | 0 | 0 | 111.8 | ||||
| 279 | K | 45.7 | Very low | 48.5 | Very low | 182 Ų | 182 | 169.1 Ų | 169.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -84.2 | 134.8 | 169.4 | -68.3 | 164.1 | 178.3 | 153.7 | 0 | 109.6 | ||||
| 280 | S | 51.5 | Low | 48.5 | Very low | 104 Ų | 104 | 166.9 Ų | 166.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -168.7 | 112 | 138.5 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | T | 50.3 | Low | 49 | Very low | 116 Ų | 116 | 169 Ų | 169 | 71% | 0.712 | 82% | 0.82 | S | S | * | * | 78.3 | 111.1 | 115.2 | 61.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 282 | K | 48.9 | Very low | 49.1 | Very low | 175 Ų | 175 | 167 Ų | 167 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | 48 | 130.9 | 123.1 | -60.4 | 174.6 | 174.3 | 171.4 | 0 | 117.1 | |||||
| 283 | H | 52.3 | Low | 49.3 | Very low | 172 Ų | 172 | 164.9 Ų | 164.9 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | -169.6 | 142.7 | 64.8 | -81.4 | -85.5 | 0 | 0 | 0 | 110.4 | |||||
| 284 | R | 45 | Very low | 49.7 | Very low | 252 Ų | 252 | 164.9 Ų | 164.9 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -107.8 | 119.6 | 168.8 | -146.5 | 178.3 | -175.8 | 175.7 | 0.4 | 106.2 | ||||
| 285 | S | 56.7 | Low | 50.5 | Low | 112 Ų | 112 | 164.2 Ų | 164.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -132.6 | 113.8 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 286 | H | 44.7 | Very low | 50.9 | Low | 198 Ų | 198 | 165 Ų | 165 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -70.2 | 137 | 163 | -82.4 | -61.8 | 0 | 0 | 0 | 110.3 | ||||
| 287 | S | 56.9 | Low | 51.1 | Low | 118 Ų | 118 | 163.4 Ų | 163.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -130.3 | 117.3 | 162.6 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 288 | K | 49.2 | Very low | 51.6 | Low | 199 Ų | 199 | 166.6 Ų | 166.6 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -108.3 | 130.2 | 162.1 | -76.5 | -179.4 | 177.4 | 175 | 0 | 106.8 | ||||
| 289 | K | 54.5 | Low | 52 | Low | 177 Ų | 177 | 165 Ų | 165 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 156.8 | 133.3 | 158.7 | -92.1 | 168 | 178.7 | -179.6 | 0 | 105.5 | ||||
| 290 | H | 50.6 | Low | 52.8 | Low | 166 Ų | 166 | 163.9 Ų | 163.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | cis | -157.5 | 142.2 | 49.2 | -80.5 | -87.2 | 0 | 0 | 0 | 110.7 | ||||
| 291 | K | 51.7 | Low | 53.6 | Low | 204 Ų | 204 | 167.3 Ų | 167.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -81.4 | 133 | 153.4 | -74.1 | 178 | 174.6 | 178.3 | 0 | 107.2 | ||||
| 292 | N | 50.8 | Low | 54.2 | Low | 154 Ų | 154 | 170.4 Ų | 170.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -133.6 | 109.6 | 162.2 | -119.3 | 3.8 | 0 | 0 | 0 | 108.7 | ||||
| 293 | S | 48 | Very low | 55 | Low | 115 Ų | 115 | 170.8 Ų | 170.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -88.8 | 122.2 | 164.6 | 47.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 294 | H | 52.1 | Low | 55.3 | Low | 189 Ų | 189 | 175.2 Ų | 175.2 | 88% | 0.875 | 84% | 0.835 | S | S | * | * | trans | -115 | 129.5 | 167.5 | -118.8 | -27.1 | 0 | 0 | 0 | 112 | ||||
| 295 | S | 60 | Low | 55.8 | Low | 98 Ų | 98 | 171.4 Ų | 171.4 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | -67.2 | 141.3 | -179.7 | 164.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 296 | K | 51.5 | Low | 55.8 | Low | 198 Ų | 198 | 174.5 Ų | 174.5 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | 5.8 | 125.3 | 143.2 | -61.2 | 172.6 | 178.9 | 173.5 | 0 | 117.6 | ||||
| 297 | E | 56.6 | Low | 56.4 | Low | 161 Ų | 161 | 173.2 Ų | 173.2 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -135.4 | 112.7 | 149.9 | -155 | 174.4 | 161 | 0 | 0 | 109.1 | K299 | E297-K299 WeakPolarHBondContact OE1-CE 3.47Å; E297-K299 IonicContact OE1-NZ 3.58Å | ||
| 298 | R | 52.4 | Low | 56.3 | Low | 211 Ų | 211 | 176.4 Ų | 176.4 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -89.3 | 122.6 | 167.2 | -75.3 | 172.3 | 78.3 | 165 | 1.6 | 106.6 | ||||
| 299 | K | 62.7 | Low | 56.8 | Low | 165 Ų | 165 | 175 Ų | 175 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | trans | -109.8 | 104.1 | 162.1 | -80.1 | -178.1 | 177.7 | 171.6 | 0 | 108.9 | E297 | E297-K299 WeakPolarHBondContact OE1-CE 3.47Å; E297-K299 IonicContact OE1-NZ 3.58Å | ||
| 300 | H | 63.5 | Low | 56.9 | Low | 157 Ų | 157 | 174.9 Ų | 174.9 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -86.5 | 123 | 154.2 | -84.1 | -87 | 0 | 0 | 0 | 106.7 | ||||
| 301 | H | 66.8 | Low | 57.4 | Low | 176 Ų | 176 | 175.5 Ų | 175.5 | 82% | 0.815 | 83% | 0.833 | S | S | * | * | trans | -102.9 | 119.4 | 161.9 | -97.1 | -56.7 | 0 | 0 | 0 | 108.3 | ||||
| 302 | H | 63.7 | Low | 57.8 | Low | 182 Ų | 182 | 173.3 Ų | 173.3 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -133.6 | 117 | 161.2 | -134.6 | 63.5 | 0 | 0 | 0 | 105.1 | ||||
| 303 | H | 64.5 | Low | 58.4 | Low | 183 Ų | 183 | 174.9 Ų | 174.9 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | trans | -150.5 | 121.6 | 165.2 | -111 | 48.1 | 0 | 0 | 0 | 108.4 | ||||
| 304 | H | 59.5 | Low | 59.4 | Low | 264 Ų | 264 | 180.4 Ų | 180.4 | 100% | 1.222 | 83% | 0.831 | S | S | * | * | trans | 67.6 | 0 | 175.7 | -76.9 | 2.5 | 0 | 0 | 0 | 118.6 |
Retrieved 304 of 304 residues in 68.6 ms
(Link to these results)