| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.7 | Very low | 38.4 | Very low | 214 Ų | 214 | 107.6 Ų | 107.6 | 100% | 1.054 | 64% | 0.643 | S | S | * | * | 0 | -91.1 | 0 | -55.6 | -56.1 | -88.4 | 0 | 0 | 110.3 | V3 A4 | M1-V3 PolarHBondContact O-N 3.22Å; M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 2.93Å | |||
| 2 | A | 30.6 | Very low | 38.5 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 3 | V | 36.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 106.3 Ų | 106.3 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -19.7 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | M1 | M1-V3 PolarHBondContact O-N 3.22Š|
| 4 | A | 35.4 | Very low | 38.4 | Very low | 65 Ų | 65 | 107.4 Ų | 107.4 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -75.1 | -33.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 A6 M8 | M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 2.93Å; A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 3.26Å; A4-M8 WeakPolarHBondContact O-CG 3.38Å |
| 5 | E | 38 | Very low | 38.1 | Very low | 159 Ų | 159 | 108.5 Ų | 108.5 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -18.4 | -175.2 | -66.8 | 174.6 | 117.5 | 0 | 0 | 113.3 | P9 | E5-P9 WeakPolarHBondContact O-CD 3.28Š|
| 6 | A | 39 | Very low | 37.8 | Very low | 76 Ų | 76 | 108.6 Ų | 108.6 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -22.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A4 | A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 3.26Å |
| 7 | L | 42.2 | Very low | 37.6 | Very low | 109 Ų | 109 | 110.3 Ų | 110.3 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -27.5 | -171.9 | -75 | 168.9 | 0 | 0 | 0 | 114.4 | A10 | L7-A10 PolarHBondContact O-N 2.86Š|
| 8 | M | 41 | Very low | 37.3 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.7 | -41.1 | 179.2 | -67.4 | -64.9 | -71.5 | 0 | 0 | 113.9 | A4 A10 L11 T12 | A4-M8 WeakPolarHBondContact O-CG 3.38Å; M8-A10 PolarHBondContact O-N 2.96Å; M8-L11 PolarHBondContact O-N 2.6Å; M8-T12 PolarHBondContact O-OG1 3.29Å |
| 9 | P | 40 | Very low | 36.9 | Very low | 89 Ų | 89 | 112.5 Ų | 112.5 | 58% | 0.578 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.9 | -22.3 | 178.6 | -21.3 | 34.1 | 0 | 0 | 0 | 114.4 | E5 | E5-P9 WeakPolarHBondContact O-CD 3.28Å |
| 10 | A | 40.9 | Very low | 36.4 | Very low | 54 Ų | 54 | 114.6 Ų | 114.6 | 45% | 0.446 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -85.5 | -16.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L7 M8 S13 F14 | L7-A10 PolarHBondContact O-N 2.86Å; M8-A10 PolarHBondContact O-N 2.96Å; A10-S13 PolarHBondContact O-OG 3.38Å; A10-F14 WeakPolarHBondContact O-CE2 3.2Å |
| 11 | L | 40.4 | Very low | 36.2 | Very low | 84 Ų | 84 | 116.5 Ų | 116.5 | 44% | 0.44 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -100.7 | -23.7 | -178.1 | -64.6 | 175.4 | 0 | 0 | 0 | 113 | M8 S13 | M8-L11 PolarHBondContact O-N 2.6Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.91Å |
| 12 | T | 39.9 | Very low | 35.8 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 69% | 0.693 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -2.8 | 178.8 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | M8 | M8-T12 PolarHBondContact O-OG1 3.29Š|
| 13 | S | 38.7 | Very low | 35.6 | Very low | 85 Ų | 85 | 115.8 Ų | 115.8 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -9.6 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 114 | A10 L11 | A10-S13 PolarHBondContact O-OG 3.38Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.91Å |
| 14 | F | 36.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -93.1 | 119.8 | -179.8 | -69 | -83.4 | 0 | 0 | 0 | 111.2 | A10 N16 F17 | A10-F14 WeakPolarHBondContact O-CE2 3.2Å; F14-N16 PolarHBondContact O-N 3.34Å; F14-F17 PolarHBondContact O-N 2.89Å |
| 15 | P | 33.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -10.2 | -168 | 25.4 | -34.6 | 0 | 0 | 0 | 115.9 | ||
| 16 | N | 33.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 21.8 | -179.2 | -81 | -6.7 | 0 | 0 | 0 | 114 | F14 K18 D70 | F14-N16 PolarHBondContact O-N 3.34Å; N16-K18 PolarHBondContact O-N 3.36Å; N16-D70 PolarHBondContact ND2-OD1 2.5Å |
| 17 | F | 34.8 | Very low | 34 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | trans | -69.7 | 98 | 177.4 | -170.5 | -92.5 | 0 | 0 | 0 | 112.3 | F14 A19 | F14-F17 PolarHBondContact O-N 2.89Å; F17-A19 HydrophobicContact CE1-CB 4.19Å | ||
| 18 | K | 33 | Very low | 33.4 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 84% | 0.839 | 67% | 0.668 | S | S | * | * | trans | -105.8 | 99 | 176.9 | -162.5 | 168.5 | -170.4 | 169.3 | 0 | 110.7 | N16 M20 | N16-K18 PolarHBondContact O-N 3.36Å; K18-M20 PolarHBondContact O-N 3.14Å | ||
| 19 | A | 29.4 | Very low | 32.9 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | trans | -58 | 131.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F17 | F17-A19 HydrophobicContact CE1-CB 4.19Š| ||
| 20 | M | 26.6 | Very low | 32.5 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -85.6 | 121.5 | 170.1 | -81.9 | -163 | 170.6 | 0 | 0 | 110.4 | K18 N22 | K18-M20 PolarHBondContact O-N 3.14Å; M20-N22 PolarHBondContact O-N 2.93Å | ||
| 21 | D | 31.3 | Very low | 32.1 | Very low | 156 Ų | 156 | 132 Ų | 132 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 65.7 | 173.4 | -62.2 | -55.3 | 0 | 0 | 0 | 112.4 | ||
| 22 | N | 31.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.2 | 18.1 | 165.5 | -105.1 | -72.1 | 0 | 0 | 0 | 113.9 | M20 Q24 | M20-N22 PolarHBondContact O-N 2.93Å; N22-Q24 PolarHBondContact O-N 3.49Å |
| 23 | F | 27.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | trans | -72 | 97.4 | 170 | -109.9 | -86.9 | 0 | 0 | 0 | 110.6 | L25 L75 | F23-L25 PolarHBondContact O-N 3.41Å; F23-L75 HydrophobicContact CZ-CB 4.08Å; F23-L75 HydrophobicContact CZ-CD1 4.18Å | ||
| 24 | Q | 28.9 | Very low | 31.3 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 70% | 0.695 | S | S | * | * | trans | -70.5 | 84.3 | 157.8 | -73.1 | -165.9 | -86.3 | 0 | 0 | 108.7 | N22 C26 | N22-Q24 PolarHBondContact O-N 3.49Å; Q24-C26 PolarHBondContact O-N 2.95Å | ||
| 25 | L | 30.8 | Very low | 31.4 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -52.2 | 132.9 | 157.4 | -74 | 165.4 | 0 | 0 | 0 | 108.3 | F23 N27 | F23-L25 PolarHBondContact O-N 3.41Å; L25-N27 PolarHBondContact O-N 3.32Å; L25-N27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | C | 26.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -59.7 | 115.4 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 108.5 | Q24 M28 | Q24-C26 PolarHBondContact O-N 2.95Å; C26-M28 PolarHBondContact O-N 2.67Å | ||
| 27 | N | 27.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -75 | 101.5 | -167.5 | -168.7 | -1.4 | 0 | 0 | 0 | 111.5 | L25 D29 | L25-N27 PolarHBondContact O-N 3.32Å; L25-N27 VanDerWaalsContact O-N 3.07Å; N27-D29 PolarHBondContact O-N 2.8Å; N27-D29 WeakPolarHBondContact OD1-CB 3.49Å; N27-D29 PolarHBondContact OD1-N 3.49Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; N27-D29 PolarHBondContact OD1-OD2 3.3Å | ||
| 28 | M | 31.1 | Very low | 31.7 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 64% | 0.635 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -66.2 | -14.2 | 178.1 | -83.7 | -74 | -172.3 | 0 | 0 | 113.8 | C26 E30 W31 V32 | C26-M28 PolarHBondContact O-N 2.67Å; M28-E30 PolarHBondContact O-N 3.01Å; M28-E30 VanDerWaalsContact O-N 3.15Å; M28-W31 PolarHBondContact O-N 2.99Å; M28-W31 HydrophobicContact SD-CB 4.29Å; M28-W31 HydrophobicContact SD-CE3 4.39Å; M28-V32 PolarHBondContact O-N 2.88Å |
| 29 | D | 29.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 57% | 0.567 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -67.7 | -11.7 | -177.5 | -69 | -30.4 | 0 | 0 | 0 | 114.5 | N27 R33 | N27-D29 PolarHBondContact O-N 2.8Å; N27-D29 WeakPolarHBondContact OD1-CB 3.49Å; N27-D29 PolarHBondContact OD1-N 3.49Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; N27-D29 PolarHBondContact OD1-OD2 3.3Å; D29-R33 PolarHBondContact O-NE 2.92Å; D29-R33 PolarHBondContact O-NH2 3.42Å |
| 30 | E | 31.9 | Very low | 32.1 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -85.9 | -29.9 | 168.1 | -70.7 | -163 | 124.2 | 0 | 0 | 112.9 | M28 R33 | M28-E30 PolarHBondContact O-N 3.01Å; M28-E30 VanDerWaalsContact O-N 3.15Å; E30-R33 PolarHBondContact O-N 3.23Å |
| 31 | W | 31.2 | Very low | 32.3 | Very low | 185 Ų | 185 | 127 Ų | 127 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -71 | -37.9 | -177.4 | -155.4 | 60.8 | 0 | 0 | 0 | 112.1 | M28 R33 S34 | M28-W31 PolarHBondContact O-N 2.99Å; M28-W31 HydrophobicContact SD-CB 4.29Å; M28-W31 HydrophobicContact SD-CE3 4.39Å; W31-R33 PolarHBondContact O-N 2.89Å; W31-R33 VanDerWaalsContact O-N 3.14Å; W31-S34 PolarHBondContact O-N 3.23Å; W31-S34 PolarHBondContact O-OG 3.45Å; W31-S34 VanDerWaalsContact O-OG 3.12Å |
| 32 | V | 35.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -68 | -11.1 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | M28 | M28-V32 PolarHBondContact O-N 2.88Š|
| 33 | R | 35.2 | Very low | 32.3 | Very low | 197 Ų | 197 | 122 Ų | 122 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -93.2 | -8.2 | 177.8 | -111.4 | 171.9 | -66.8 | 172 | 1.2 | 114.9 | D29 E30 W31 | D29-R33 PolarHBondContact O-NE 2.92Å; D29-R33 PolarHBondContact O-NH2 3.42Å; E30-R33 PolarHBondContact O-N 3.23Å; W31-R33 PolarHBondContact O-N 2.89Å; W31-R33 VanDerWaalsContact O-N 3.14Å |
| 34 | S | 33.3 | Very low | 32.4 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -106.8 | 100.2 | 169.4 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | W31 A36 | W31-S34 PolarHBondContact O-N 3.23Å; W31-S34 PolarHBondContact O-OG 3.45Å; W31-S34 VanDerWaalsContact O-OG 3.12Å; S34-A36 PolarHBondContact O-N 2.69Å |
| 35 | G | 37.3 | Very low | 32.6 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -68.7 | 85.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 36 | A | 32.8 | Very low | 32.4 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -107.3 | 78.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S34 G38 | S34-A36 PolarHBondContact O-N 2.69Å; A36-G38 PolarHBondContact O-N 3.08Å; A36-G38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | T | 39.6 | Very low | 32.7 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 92% | 0.92 | 71% | 0.712 | S | S | * | * | trans | -80.2 | 89.7 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | G | 37.3 | Very low | 32.9 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | trans | 165 | 86.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A36 | A36-G38 PolarHBondContact O-N 3.08Å; A36-G38 VanDerWaalsContact O-N 3.16Å | ||
| 39 | G | 29.5 | Very low | 32.9 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | 168.3 | 112.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G41 | G39-G41 PolarHBondContact O-N 3.22Š| ||
| 40 | T | 40.6 | Very low | 33.2 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 95% | 0.945 | 69% | 0.692 | S | S | * | * | trans | -82 | 61.5 | 173.3 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | S42 | T40-S42 PolarHBondContact O-N 3.19Š| ||
| 41 | G | 30.5 | Very low | 33.4 | Very low | 68 Ų | 68 | 111.9 Ų | 111.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | -73.9 | 117.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G39 A43 | G39-G41 PolarHBondContact O-N 3.22Å; G41-A43 PolarHBondContact O-N 2.8Å | ||
| 42 | S | 30.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 104.8 Ų | 104.8 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -86.3 | 95.3 | 174 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | T40 R44 | T40-S42 PolarHBondContact O-N 3.19Å; S42-R44 PolarHBondContact O-N 3.42Å; S42-R44 VanDerWaalsContact O-N 3.09Å | ||
| 43 | A | 32.4 | Very low | 33.6 | Very low | 87 Ų | 87 | 103.7 Ų | 103.7 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | trans | -72.9 | 98.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G41 I45 | G41-A43 PolarHBondContact O-N 2.8Å; A43-I45 PolarHBondContact O-N 2.97Å | ||
| 44 | R | 29.3 | Very low | 33.4 | Very low | 199 Ų | 199 | 96.6 Ų | 96.6 | 75% | 0.751 | 63% | 0.625 | S | S | * | * | trans | -73.1 | 114.6 | 168.1 | -109.1 | -176.2 | 173.6 | 161.6 | -2.3 | 109.5 | S42 | S42-R44 PolarHBondContact O-N 3.42Å; S42-R44 VanDerWaalsContact O-N 3.09Å | ||
| 45 | I | 32 | Very low | 33.5 | Very low | 108 Ų | 108 | 98.5 Ų | 98.5 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | trans | -101.2 | 103.4 | 171 | -56.2 | 178 | 0 | 0 | 0 | 107.4 | A43 V47 T78 | A43-I45 PolarHBondContact O-N 2.97Å; I45-V47 HydrophobicContact CG2-CG2 3.88Å; I45-T78 HydrophobicContact CG2-CG2 3.72Å | ||
| 46 | E | 28 | Very low | 33.3 | Very low | 146 Ų | 146 | 99.2 Ų | 99.2 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -87.9 | 126.5 | 169.9 | -66.7 | -177.3 | 175.2 | 0 | 0 | 109.1 | ||||
| 47 | V | 31.1 | Very low | 33.4 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | trans | -117.6 | 103.4 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | I45 L49 L75 | I45-V47 HydrophobicContact CG2-CG2 3.88Å; V47-L49 HydrophobicContact CG1-CG 4.4Å; V47-L49 PolarHBondContact O-N 2.47Å; V47-L75 HydrophobicContact CG1-CD2 3.54Å | ||
| 48 | D | 33 | Very low | 33 | Very low | 96 Ų | 96 | 97 Ų | 97 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | trans | -79.7 | 104.4 | 178 | -169.8 | -24.6 | 0 | 0 | 0 | 110.2 | S50 | D48-S50 PolarHBondContact O-N 3.35Å; D48-S50 PolarHBondContact OD1-OG 2.66Å | ||
| 49 | L | 31.2 | Very low | 32.7 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 76.2 | 180 | -82.3 | 155.5 | 0 | 0 | 0 | 111.1 | V47 I51 F73 L75 | V47-L49 HydrophobicContact CG1-CG 4.4Å; V47-L49 PolarHBondContact O-N 2.47Å; L49-I51 PolarHBondContact O-N 3.42Å; L49-F73 HydrophobicContact CD2-CD1 3.87Å; L49-L75 HydrophobicContact CD2-CD2 4.29Å |
| 50 | S | 35.1 | Very low | 33.2 | Very low | 46 Ų | 46 | 107 Ų | 107 | 32% | 0.322 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 109 | 173.5 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | D48 V52 | D48-S50 PolarHBondContact O-N 3.35Å; D48-S50 PolarHBondContact OD1-OG 2.66Å; S50-V52 PolarHBondContact O-N 2.91Å |
| 51 | I | 36.1 | Very low | 32.8 | Very low | 90 Ų | 90 | 106.7 Ų | 106.7 | 46% | 0.462 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73 | 119.1 | 171.4 | -61.4 | 174.6 | 0 | 0 | 0 | 109.4 | L49 L71 F73 | L49-I51 PolarHBondContact O-N 3.42Å; I51-L71 HydrophobicContact CG2-CD2 3.61Å; I51-F73 HydrophobicContact CD1-CE1 4.39Å; I51-F73 HydrophobicContact CG1-CD1 4.34Å; I51-F73 HydrophobicContact CG1-CE1 3.89Å |
| 52 | V | 35.3 | Very low | 33.2 | Very low | 37 Ų | 37 | 110.6 Ų | 110.6 | 22% | 0.224 | 62% | 0.624 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.7 | 178.3 | 179 | 0 | 0 | 0 | 0 | 109.7 | S50 S54 E72 I74 | S50-V52 PolarHBondContact O-N 2.91Å; V52-S54 PolarHBondContact O-N 3.26Å; V52-E72 PolarHBondContact N-O 3.06Å; V52-I74 HydrophobicContact CB-CD1 3.97Å; V52-I74 HydrophobicContact CB-CG1 4.43Å; V52-I74 HydrophobicContact CG1-CD1 4.22Å; V52-I74 HydrophobicContact CG2-CD1 4.13Å |
| 53 | H | 35.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 45% | 0.454 | 63% | 0.625 | S | S | . | * | trans | -80.7 | 107.9 | 173 | -71.2 | 89.6 | 0 | 0 | 0 | 109.8 | L71 | H53-L71 WeakPolarHBondContact NE2-CD2 3.19Š| ||
| 54 | S | 31.9 | Very low | 33.8 | Very low | 47 Ų | 47 | 116.1 Ų | 116.1 | 33% | 0.329 | 63% | 0.627 | S | S | . | * | trans | -91.5 | 122.6 | 171.5 | -69.5 | 0 | 0 | 0 | 0 | 110.2 | V52 S56 E72 | V52-S54 PolarHBondContact O-N 3.26Å; S54-S56 PolarHBondContact O-N 3.23Å; S54-S56 VanDerWaalsContact O-N 3.11Å; S54-E72 WeakPolarHBondContact CB-OE2 3.11Å; S54-E72 PolarHBondContact OG-OE2 3.21Å | ||
| 55 | P | 35.5 | Very low | 34.1 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | trans | -70.7 | 108.3 | 168.1 | 28 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 56 | S | 31.2 | Very low | 34 | Very low | 100 Ų | 100 | 112 Ų | 112 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 154.2 | 174.3 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | S54 | S54-S56 PolarHBondContact O-N 3.23Å; S54-S56 VanDerWaalsContact O-N 3.11Å |
| 57 | A | 35.5 | Very low | 34.1 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H59 | A57-H59 PolarHBondContact O-N 3.37Š|
| 58 | A | 31.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 87% | 0.868 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 59 | H | 31.3 | Very low | 33.9 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 141.9 | 146.7 | -84.8 | -105 | 0 | 0 | 0 | 108.4 | A57 | A57-H59 PolarHBondContact O-N 3.37Š|
| 60 | K | 39.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 120.3 Ų | 120.3 | 79% | 0.787 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 137.2 | 150.5 | -65.6 | -176 | 173.5 | -171.5 | 0 | 106.9 | ||
| 61 | D | 33 | Very low | 33.9 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | 166.5 | 121.9 | 121.2 | -74.5 | -14.3 | 0 | 0 | 0 | 107.7 | |||||
| 62 | D | 37.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | 13.2 | 128.7 | 171.1 | -48.7 | -28.1 | 0 | 0 | 0 | 123.4 | ||||
| 63 | D | 39.4 | Very low | 33.5 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | 70.8 | 150 | 147.1 | -67.8 | -32.9 | 0 | 0 | 0 | 124.5 | ||||
| 64 | E | 36.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | trans | 60.5 | 104.8 | 167.2 | -75.9 | -72.5 | 84.9 | 0 | 0 | 121.9 | ||||
| 65 | L | 36.6 | Very low | 33.5 | Very low | 162 Ų | 162 | 127 Ų | 127 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | trans | 54.6 | 74.8 | 133.8 | -129.2 | 76.1 | 0 | 0 | 0 | 120.5 | ||||
| 66 | G | 29.1 | Very low | 33.3 | Very low | 57 Ų | 57 | 124.6 Ų | 124.6 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | trans | -160.2 | 86.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F68 | G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 2.56Å | ||
| 67 | K | 29.9 | Very low | 33.3 | Very low | 219 Ų | 219 | 126.5 Ų | 126.5 | 95% | 0.952 | 67% | 0.672 | S | S | * | * | trans | -79.2 | 74.2 | 173.4 | -72.4 | -175.6 | -179.9 | 175.7 | 0 | 112.2 | ||||
| 68 | F | 31.2 | Very low | 33.2 | Very low | 173 Ų | 173 | 127 Ų | 127 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | -76.4 | 125.6 | 168.5 | -78.8 | -88.5 | 0 | 0 | 0 | 111 | G66 | G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 2.56Å | ||
| 69 | L | 29.3 | Very low | 33.3 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | trans | -92.8 | 96.2 | 169.8 | -75.3 | 168.4 | 0 | 0 | 0 | 108.6 | L71 | L69-L71 PolarHBondContact O-N 3.41Å; L69-L71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | D | 31 | Very low | 33.2 | Very low | 76 Ų | 76 | 124 Ų | 124 | 41% | 0.406 | 65% | 0.647 | S | S | . | * | trans | -71.4 | 102 | 174.1 | -80.2 | -39.8 | 0 | 0 | 0 | 110.8 | N16 E72 | N16-D70 PolarHBondContact ND2-OD1 2.5Å; D70-E72 PolarHBondContact O-N 2.78Å | ||
| 71 | L | 34.3 | Very low | 32.8 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 45% | 0.45 | 64% | 0.641 | S | S | . | * | trans | -87.8 | 92.2 | 174.9 | -74.8 | 161.4 | 0 | 0 | 0 | 110.2 | I51 H53 L69 F73 | I51-L71 HydrophobicContact CG2-CD2 3.61Å; H53-L71 WeakPolarHBondContact NE2-CD2 3.19Å; L69-L71 PolarHBondContact O-N 3.41Å; L69-L71 VanDerWaalsContact O-N 3.08Å; L71-F73 HydrophobicContact CB-CE2 4.27Å; L71-F73 PolarHBondContact O-N 3.19Å | ||
| 72 | E | 32.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 44% | 0.435 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 114.1 | 169 | -71.9 | -167.2 | 135 | 0 | 0 | 110.9 | V52 S54 D70 | V52-E72 PolarHBondContact N-O 3.06Å; S54-E72 WeakPolarHBondContact CB-OE2 3.11Å; S54-E72 PolarHBondContact OG-OE2 3.21Å; D70-E72 PolarHBondContact O-N 2.78Å |
| 73 | F | 32 | Very low | 32.1 | Very low | 109 Ų | 109 | 118.2 Ų | 118.2 | 48% | 0.478 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 113.7 | 170.9 | -71.7 | -87 | 0 | 0 | 0 | 110.5 | L49 I51 L71 | L49-F73 HydrophobicContact CD2-CD1 3.87Å; I51-F73 HydrophobicContact CD1-CE1 4.39Å; I51-F73 HydrophobicContact CG1-CD1 4.34Å; I51-F73 HydrophobicContact CG1-CE1 3.89Å; L71-F73 HydrophobicContact CB-CE2 4.27Å; L71-F73 PolarHBondContact O-N 3.19Å |
| 74 | I | 34.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 116.8 Ų | 116.8 | 40% | 0.395 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 93.9 | 179.9 | -52.6 | -177.1 | 0 | 0 | 0 | 110.5 | V52 S76 | V52-I74 HydrophobicContact CB-CD1 3.97Å; V52-I74 HydrophobicContact CB-CG1 4.43Å; V52-I74 HydrophobicContact CG1-CD1 4.22Å; V52-I74 HydrophobicContact CG2-CD1 4.13Å; I74-S76 PolarHBondContact O-N 2.85Å; I74-S76 VanDerWaalsContact O-N 3.08Å; I74-S76 PolarHBondContact O-OG 2.67Å |
| 75 | L | 31.7 | Very low | 31.5 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 49% | 0.487 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57 | 110.9 | 170.4 | -71.8 | 174.2 | 0 | 0 | 0 | 110.7 | F23 V47 L49 | F23-L75 HydrophobicContact CZ-CB 4.08Å; F23-L75 HydrophobicContact CZ-CD1 4.18Å; V47-L75 HydrophobicContact CG1-CD2 3.54Å; L49-L75 HydrophobicContact CD2-CD2 4.29Å |
| 76 | S | 30.7 | Very low | 31.1 | Very low | 61 Ų | 61 | 110.5 Ų | 110.5 | 43% | 0.427 | 64% | 0.642 | S | S | . | * | trans | -114.9 | 82.9 | -169 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | I74 | I74-S76 PolarHBondContact O-N 2.85Å; I74-S76 VanDerWaalsContact O-N 3.08Å; I74-S76 PolarHBondContact O-OG 2.67Å | ||
| 77 | N | 32.2 | Very low | 31.2 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | 68.6 | 115.8 | 178.4 | -52 | -35 | 0 | 0 | 0 | 116.2 | ||||
| 78 | T | 34.1 | Very low | 31.1 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | -76.1 | 127.4 | 158.2 | -32.3 | 0 | 0 | 0 | 0 | 109.1 | I45 | I45-T78 HydrophobicContact CG2-CG2 3.72Š| ||
| 79 | I | 33.3 | Very low | 30.9 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 59% | 0.585 | 65% | 0.646 | S | S | * | * | trans | -110.8 | 114 | 172.5 | -56.6 | 179 | 0 | 0 | 0 | 108.7 | T81 | I79-T81 HydrophobicContact CG2-CG2 4.08Š| ||
| 80 | C | 28.3 | Very low | 31 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 75% | 0.75 | 66% | 0.656 | S | S | * | * | trans | -93.3 | 115.1 | 167.5 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 81 | T | 30.6 | Very low | 30.7 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | trans | -102.8 | 120 | 167.7 | 54 | 0 | 0 | 0 | 0 | 109.4 | I79 | I79-T81 HydrophobicContact CG2-CG2 4.08Š| ||
| 82 | D | 26.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | trans | -96.5 | 131.9 | 173.1 | -147.1 | -23.3 | 0 | 0 | 0 | 109.7 | ||||
| 83 | S | 30.5 | Very low | 29.9 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -119.2 | 67.9 | -168.2 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 84 | T | 32.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -129.5 | 137 | 166.8 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | A | 31 | Very low | 30 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -113 | 136.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | G | 28.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 153.9 | 105.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 87 | N | 30.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -108.1 | 123.7 | 177.9 | -172.4 | 33.4 | 0 | 0 | 0 | 109.9 | ||||
| 88 | S | 28.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 130.3 | 175.3 | -78.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | D | 28.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -86.7 | 162.9 | -176.1 | -77.1 | -70.7 | 0 | 0 | 0 | 114.7 | ||||
| 90 | R | 30.8 | Very low | 28.5 | Very low | 249 Ų | 249 | 135.4 Ų | 135.4 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | 76.4 | 148.1 | 166.9 | -41.4 | 172.9 | -157.3 | -174.4 | 5.8 | 115 | ||||
| 91 | G | 25.2 | Very low | 28.3 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | 159.6 | 120 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 92 | S | 25.9 | Very low | 28 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | 55.8 | 97.6 | 156.5 | -55 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 93 | A | 24.4 | Very low | 27.9 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -157.8 | 163.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 94 | S | 23.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -142.4 | 172.9 | -179.1 | -117 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 95 | P | 44.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | -117 | 150.3 | -128.8 | 41.2 | -35.6 | 0 | 0 | 0 | 118.2 | |||||
| 96 | T | 23.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -163.8 | 162.1 | 156.4 | 16.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 97 | Q | 28 | Very low | 27.8 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | cis | -148.5 | 168.4 | 9.1 | -149.3 | 163.7 | 2.5 | 0 | 0 | 110 | ||||
| 98 | Q | 25.9 | Very low | 27.6 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -74.6 | 153.5 | 169 | -61.5 | 159.9 | -75.2 | 0 | 0 | 111.2 | ||||
| 99 | H | 27.3 | Very low | 28.6 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -162.9 | 172.2 | 130.8 | -104.2 | -67.7 | 0 | 0 | 0 | 110.5 | ||||
| 100 | Q | 26.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -148.1 | 163.8 | -157 | -160 | 171.7 | 17 | 0 | 0 | 111.5 | ||||
| 101 | C | 22.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | 72.4 | 151.4 | -179.2 | -54 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 102 | G | 24.8 | Very low | 28.7 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | cis | 178.6 | 155.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 103 | Y | 25.3 | Very low | 28.8 | Very low | 229 Ų | 229 | 138.9 Ų | 138.9 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | 16.1 | 127.3 | 166 | -55.2 | -85.1 | 0 | 0 | 0 | 121.1 | ||||
| 104 | S | 24.9 | Very low | 29 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | -172.2 | 144.2 | 106.9 | -76.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 105 | L | 28.6 | Very low | 29.3 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -101.7 | 166.3 | 155.8 | -98.5 | 159.9 | 0 | 0 | 0 | 106.4 | ||||
| 106 | P | 39.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | cis | -150.9 | -172.5 | 44.9 | 44.6 | -23.6 | 0 | 0 | 0 | 118.1 | ||||
| 107 | D | 25.9 | Very low | 28.9 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 75.2 | 140.9 | 151.2 | -61.7 | -37.3 | 0 | 0 | 0 | 122.8 | ||||
| 108 | S | 27.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -115.4 | -162 | 172.1 | -44.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 109 | P | 47.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | cis | -128.2 | 170.8 | -20.9 | 40.3 | -26.9 | 0 | 0 | 0 | 112.8 | ||||
| 110 | E | 28.3 | Very low | 30.2 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -146 | 155.6 | 146.3 | -79.8 | -150.1 | 124.6 | 0 | 0 | 110.6 | ||||
| 111 | S | 30.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -142.3 | 142.9 | -179.6 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 112 | C | 28.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 92% | 0.919 | 80% | 0.796 | S | S | * | * | trans | -154.5 | 116 | 166.7 | -98.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | G | 27.9 | Very low | 31.4 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -98.8 | 172 | 138.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 114 | G | 29.1 | Very low | 32.2 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | cis | 159.9 | 162.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | G | 28.8 | Very low | 33.8 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 88.9 | 124.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 116 | S | 29.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | -174.2 | 148.9 | 123 | -78 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 117 | L | 30.4 | Very low | 33.8 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -105 | -171.6 | 173.9 | -87.8 | 92.5 | 0 | 0 | 0 | 109.5 | ||||
| 118 | P | 56.1 | Low | 34.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -129.6 | -178.6 | -18.5 | 25.3 | -2.7 | 0 | 0 | 0 | 113.6 | ||||
| 119 | D | 27.2 | Very low | 34.5 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -162.8 | -178.1 | 117.3 | -147.1 | -12.6 | 0 | 0 | 0 | 112.1 | |||||
| 120 | C | 25.5 | Very low | 33.9 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 64% | 0.635 | 79% | 0.793 | S | S | * | * | trans | -124.2 | -169.5 | -150.9 | -52.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 121 | T | 31.8 | Very low | 34 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 82.8 | 139.9 | 169.6 | 74.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 122 | D | 30.2 | Very low | 34 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -155.9 | 159.1 | -9.7 | -124.4 | -34.8 | 0 | 0 | 0 | 116.9 | ||||
| 123 | H | 35.8 | Very low | 35.1 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 22.7 | 138.1 | 158.9 | -88.4 | -67.5 | 0 | 0 | 0 | 126.8 | ||||
| 124 | P | 42.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -118.7 | 159.4 | 141.2 | 39 | -30.2 | 0 | 0 | 0 | 114 | ||||
| 125 | P | 57.3 | Low | 35.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -107.1 | 157.7 | 165.7 | 38.6 | -30.5 | 0 | 0 | 0 | 111.4 | ||||
| 126 | S | 31.7 | Very low | 35.7 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -165.6 | 173.6 | 25.4 | 45.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 127 | H | 36.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | cis | -146.5 | 176.2 | 27.2 | -102.8 | -88.7 | 0 | 0 | 0 | 112.6 | ||||
| 128 | L | 32.8 | Very low | 35.6 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -79.8 | 167.6 | -178.6 | -66.7 | 148.5 | 0 | 0 | 0 | 114.2 | ||||
| 129 | A | 35.4 | Very low | 34.3 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 58% | 0.579 | 78% | 0.784 | S | S | * | * | cis | -177.7 | 176.2 | -22.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | Q | 36.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | 76.5 | 136.9 | 167.3 | -47.5 | 175.9 | 21.5 | 0 | 0 | 116.7 | ||||
| 131 | G | 29.4 | Very low | 34.6 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -165.6 | 165.5 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 132 | Y | 29.8 | Very low | 34.7 | Very low | 234 Ų | 234 | 131.3 Ų | 131.3 | 92% | 0.918 | 79% | 0.788 | S | S | * | * | trans | -93.7 | -176.5 | -168 | -78.8 | -87.6 | 0 | 0 | 0 | 115.2 | ||||
| 133 | P | 53.2 | Low | 34.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | -120.8 | 169.2 | -7.2 | 22.2 | 2.1 | 0 | 0 | 0 | 113.4 | ||||
| 134 | G | 34.1 | Very low | 35.6 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | 116.8 | 149.3 | 55.2 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 135 | V | 32.5 | Very low | 34.9 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | cis | -157.8 | 157.7 | 8 | -126.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 136 | V | 31.3 | Very low | 33.6 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 62.6 | 126.2 | 158.2 | -58.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 137 | G | 28.6 | Very low | 33.6 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 139.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 138 | G | 29.3 | Very low | 33.3 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 165.9 | 149.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 139 | F | 29.3 | Very low | 33.1 | Very low | 213 Ų | 213 | 134.8 Ų | 134.8 | 93% | 0.934 | 80% | 0.803 | S | S | * | * | trans | 70.1 | 112.8 | 171.6 | -63.3 | -83.3 | 0 | 0 | 0 | 120.9 | ||||
| 140 | A | 29.9 | Very low | 33.1 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 82% | 0.815 | S | S | * | * | 47.4 | 124.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 141 | E | 29.7 | Very low | 32.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 79.5 | 138.2 | 132.9 | -67.4 | -176.1 | 140.8 | 0 | 0 | 124.1 | ||||
| 142 | S | 32 | Very low | 33.1 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 41.9 | 118.9 | 152.9 | 58.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 143 | S | 32.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -82.3 | 175.8 | 159.9 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 144 | P | 52.9 | Low | 32 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | cis | -132.3 | 159.6 | -46 | 32.7 | -17.4 | 0 | 0 | 0 | 114.2 | ||||
| 145 | V | 29.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -150.2 | 119.2 | 153.9 | -163.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 146 | R | 28.9 | Very low | 32.2 | Very low | 240 Ų | 240 | 139 Ų | 139 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | 173.1 | 121.5 | 143.3 | -97.6 | 167.7 | -176.8 | -159.4 | 0 | 107.1 | ||||
| 147 | S | 31.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | cis | 79.8 | 92.9 | 43.6 | -164.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 148 | L | 29.4 | Very low | 31.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 115.8 | 151.7 | -83.5 | 174.6 | 0 | 0 | 0 | 103.9 | ||||
| 149 | M | 30.3 | Very low | 32 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | 78.1 | 137.7 | 71.4 | -73.1 | -63.6 | -177.1 | 0 | 0 | 113.9 | |||||
| 150 | A | 35.2 | Very low | 32.4 | Very low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 163.1 | -164 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 151 | E | 30.5 | Very low | 32.5 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -135.8 | 161.5 | 154.1 | -117.7 | -178.9 | 143.6 | 0 | 0 | 111.1 | ||||
| 152 | L | 35.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -100.6 | 157.9 | -171.5 | -64.2 | 160.5 | 0 | 0 | 0 | 110.7 | ||||
| 153 | L | 29 | Very low | 32.3 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | 174.6 | 138.1 | 126.4 | -93.7 | 158.3 | 0 | 0 | 0 | 112.6 | |||||
| 154 | T | 30.9 | Very low | 32.2 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -115.5 | 158.7 | 154.9 | 63.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 155 | P | 42.8 | Very low | 31 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | -146.7 | 162.1 | 65.1 | 38.9 | -18.8 | 0 | 0 | 0 | 117.7 | |||||
| 156 | D | 26.3 | Very low | 31.1 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 81% | 0.811 | S | S | * | * | trans | 35.6 | 128.4 | 134.8 | -156.5 | -9.8 | 0 | 0 | 0 | 121.5 | ||||
| 157 | M | 26.7 | Very low | 31 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -153.4 | 156.1 | 140.5 | -94.3 | -52.4 | 99.2 | 0 | 0 | 111 | ||||
| 158 | S | 27.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 150.4 Ų | 150.4 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -118.4 | 152.2 | -160.2 | 44.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 159 | Y | 31.1 | Very low | 30.8 | Very low | 215 Ų | 215 | 147.7 Ų | 147.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 22.6 | 138.5 | 148.3 | -69.7 | -73.6 | 0 | 0 | 0 | 121.2 | ||||
| 160 | P | 38.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | -141.7 | 176.1 | 75.2 | 39.5 | -23.3 | 0 | 0 | 0 | 117.1 | |||||
| 161 | E | 32.3 | Very low | 30.5 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 165.9 | 175.4 | -52.7 | -178.8 | 101.5 | 0 | 0 | 113 | ||||
| 162 | E | 29.5 | Very low | 30.4 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 165 | 163.5 | 131.8 | -97.2 | -68.6 | 176.5 | 0 | 0 | 113.7 | ||||
| 163 | G | 27.4 | Very low | 30.1 | Very low | 65 Ų | 65 | 148.9 Ų | 148.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | 92 | 84.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 164 | A | 29 | Very low | 30.1 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 142.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 165 | R | 27.7 | Very low | 29.8 | Very low | 220 Ų | 220 | 146.3 Ų | 146.3 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -157.6 | 140.5 | 148.7 | -140.9 | 171.5 | -170.6 | 158.5 | 7.2 | 115.9 | ||||
| 166 | E | 31.8 | Very low | 29.2 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 159.6 | 166.8 | -50.7 | 158.3 | 97.2 | 0 | 0 | 112.6 | ||||
| 167 | K | 28.5 | Very low | 29.2 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 152.1 | 143.2 | 146 | -83.8 | 156.4 | -174.3 | -173.1 | 0 | 109 | ||||
| 168 | T | 27.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | cis | -154.6 | 156.9 | -2.8 | 4.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 169 | S | 29.7 | Very low | 29.5 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -61.5 | 145.9 | 163.3 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | K | 29.6 | Very low | 29.6 | Very low | 211 Ų | 211 | 153.3 Ų | 153.3 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -113.3 | 89.7 | 159.4 | -95.1 | -176.4 | 174.6 | 174.5 | 0 | 108.7 | ||||
| 171 | A | 27.8 | Very low | 29.4 | Very low | 91 Ų | 91 | 158.2 Ų | 158.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -77.9 | 133.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 172 | R | 29.4 | Very low | 29.3 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -162.1 | 144.3 | 167.1 | -83.7 | -160.2 | 154.9 | 168 | -4.2 | 107.2 | ||||
| 173 | D | 27.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | -152.6 | 137.3 | -21.5 | -86.9 | -42.2 | 0 | 0 | 0 | 105.2 | ||||
| 174 | S | 29 | Very low | 30.1 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | 171.4 | 114.3 | 145.2 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 175 | C | 26.3 | Very low | 30.3 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -108.4 | 127.8 | 157.7 | -66.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 176 | E | 29.6 | Very low | 31.2 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -77 | 157.3 | 154.2 | -71.8 | -172.4 | 113.6 | 0 | 0 | 109.5 | ||||
| 177 | Y | 25.9 | Very low | 31.9 | Very low | 212 Ų | 212 | 150.2 Ų | 150.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -120.2 | 176.8 | -168.3 | -179.1 | -103.4 | 0 | 0 | 0 | 110.2 | ||||
| 178 | T | 28.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | 73.4 | 141.9 | -176.8 | 76.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 179 | E | 32.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 77% | 0.771 | 82% | 0.82 | S | S | * | * | cis | -138.8 | 150.5 | -27.5 | -68.8 | -157.3 | 131.3 | 0 | 0 | 107.8 | ||||
| 180 | L | 32.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | trans | -147.7 | 146.2 | 146 | -87.8 | -170.1 | 0 | 0 | 0 | 111.3 | ||||
| 181 | R | 34.3 | Very low | 33.5 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -80.4 | 148.4 | -171.5 | -68.8 | 174.9 | 173.5 | 164.1 | -3.8 | 113.2 | ||||
| 182 | A | 30.5 | Very low | 33.7 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -81.7 | 146 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 183 | L | 40.5 | Very low | 33.8 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -137.7 | 149.6 | 161.3 | -73.2 | 177.2 | 0 | 0 | 0 | 108.6 | ||||
| 184 | N | 33.4 | Very low | 34.9 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -103.3 | 124.8 | -163.2 | -71.2 | -68.9 | 0 | 0 | 0 | 115.1 | ||||
| 185 | G | 32.8 | Very low | 35.8 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 68.4 | -174.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 186 | P | 47.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | cis | -116.7 | -138 | -4.3 | 45.1 | -30 | 0 | 0 | 0 | 111.6 | ||||
| 187 | P | 45.5 | Very low | 37 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -116 | -176.6 | -139.8 | 22.9 | 3.9 | 0 | 0 | 0 | 117.1 | ||||
| 188 | L | 37.6 | Very low | 37.4 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -59.6 | 163.1 | -176.9 | -59.5 | 171 | 0 | 0 | 0 | 116.1 | ||||
| 189 | P | 47.7 | Very low | 37.4 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -128.1 | -176.5 | 119.1 | 38.6 | -32.7 | 0 | 0 | 0 | 114.5 | |||||
| 190 | H | 33.7 | Very low | 37.3 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -96.9 | 151 | -162.5 | -69.8 | -108.5 | 0 | 0 | 0 | 116.5 | ||||
| 191 | A | 31.2 | Very low | 37.2 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 40.8 | 123.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 192 | A | 30.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -165.7 | 143.8 | 135.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 193 | S | 32.3 | Very low | 37.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -154 | 157.7 | 165.7 | -62.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 194 | P | 51.8 | Low | 37 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | cis | -111.1 | -157.5 | -24.8 | 35.8 | -16.7 | 0 | 0 | 0 | 109.5 | ||||
| 195 | P | 46.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -148.7 | 166.8 | 78.3 | 39.9 | -21.6 | 0 | 0 | 0 | 116.3 | |||||
| 196 | S | 35.9 | Very low | 37.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -99.9 | 148.4 | 152.2 | -53.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 197 | P | 45.6 | Very low | 36.7 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -151.4 | 171.5 | 96.1 | 39.5 | -23.3 | 0 | 0 | 0 | 114.7 | |||||
| 198 | L | 34.2 | Very low | 36 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | 167.2 | 149.8 | 125.4 | -89.5 | 171.3 | 0 | 0 | 0 | 110 | |||||
| 199 | G | 29.1 | Very low | 35.8 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -155 | 161.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 200 | Y | 29.7 | Very low | 34.9 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -154.9 | 134.9 | 176.1 | 49.2 | -97.5 | 0 | 0 | 0 | 115.6 | ||||
| 201 | K | 30.8 | Very low | 34.7 | Very low | 200 Ų | 200 | 134 Ų | 134 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | 47 | 115.6 | 142.4 | -63.4 | -172.7 | 175.9 | -176.4 | 0 | 120.8 | ||||
| 202 | I | 35 | Very low | 34.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -61.4 | 155.6 | 153.4 | -61.1 | 160.9 | 0 | 0 | 0 | 110.6 | T204 | I202-T204 HydrophobicContact CG2-CG2 4.47Š| ||
| 203 | K | 33.6 | Very low | 34.5 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -126.1 | 143.7 | 158.7 | -72.6 | -174.2 | 177 | -177.4 | 0 | 110.3 | ||||
| 204 | T | 31.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -117.1 | -160.3 | 169.7 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | I202 | I202-T204 HydrophobicContact CG2-CG2 4.47Š| ||
| 205 | E | 31.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 97.7 | 148.7 | -173.6 | -56.3 | -57.6 | 112.1 | 0 | 0 | 113.8 | ||||
| 206 | P | 46.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -140.4 | 177.7 | -84.2 | 36.4 | -16 | 0 | 0 | 0 | 115.7 | |||||
| 207 | G | 30.5 | Very low | 32.4 | Very low | 63 Ų | 63 | 135.9 Ų | 135.9 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | 142.5 | 102.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 208 | V | 31.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 26.9 | 143.8 | 133.6 | -99.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 209 | Q | 32.7 | Very low | 31.4 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | cis | -148 | 151.2 | 25.4 | -66.1 | -173.3 | -40.2 | 0 | 0 | 115.1 | ||||
| 210 | S | 29 | Very low | 31.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 47.7 | 146.1 | 137.5 | -129.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 211 | C | 28.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | cis | -138.9 | 177.2 | 29.6 | -77 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 212 | M | 29.6 | Very low | 31.6 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 170.8 | -176.4 | -47.7 | 177.9 | -155.5 | 0 | 0 | 112.4 | ||||
| 213 | V | 28.5 | Very low | 31.5 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | cis | -149.1 | 162 | 44.6 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 214 | A | 31.6 | Very low | 31.4 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -74.6 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 215 | V | 30.4 | Very low | 31.5 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | -147.8 | 159.4 | 72.4 | 164.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 216 | A | 31.8 | Very low | 31.7 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -51.5 | 171.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 217 | G | 29 | Very low | 31 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 167.7 | 179 | 6.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 218 | A | 32.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -158.6 | 166.4 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 219 | F | 27.4 | Very low | 31.2 | Very low | 208 Ų | 208 | 134.5 Ų | 134.5 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | 7.2 | 149 | 143.9 | -73 | -86 | 0 | 0 | 0 | 121.1 | ||||
| 220 | A | 31.7 | Very low | 31.2 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -154 | 174 | 9.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | E | 31.9 | Very low | 31.5 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 167.4 | 172 | -53.5 | 174.1 | 123.1 | 0 | 0 | 113.3 | ||||
| 222 | G | 29.8 | Very low | 32.3 | Very low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -175.6 | 120.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 223 | A | 33 | Very low | 32.4 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -127.4 | 154.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 224 | Y | 30.1 | Very low | 32.5 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | 59.1 | 92.6 | 145.3 | -174 | -95 | 0 | 0 | 0 | 119.9 | K226 | Y224-K226 PolarHBondContact OH-NZ 3.4Š| ||
| 225 | D | 33.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | 69.9 | 153.3 | 107.9 | -156.7 | 19 | 0 | 0 | 0 | 123.2 | |||||
| 226 | K | 36.5 | Very low | 32.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 52% | 0.522 | 79% | 0.785 | S | S | . | * | trans | 64.4 | 116.9 | 168.3 | -68.1 | 172.8 | -171.8 | 78.3 | 0 | 120 | Y224 | Y224-K226 PolarHBondContact OH-NZ 3.4Š| ||
| 227 | H | 32 | Very low | 32.5 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | -168.5 | 134.3 | 95.2 | -104 | -57.4 | 0 | 0 | 0 | 116.8 | |||||
| 228 | Q | 33.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 161.7 | 143.1 | -76.5 | 178 | 79.7 | 0 | 0 | 121.9 | ||||
| 229 | M | 33.6 | Very low | 32.9 | Very low | 182 Ų | 182 | 146 Ų | 146 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -110.2 | 151.7 | -166.4 | -46 | 167.4 | -173.4 | 0 | 0 | 111.7 | ||||
| 230 | R | 32 | Very low | 34.1 | Very low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | trans | -171.5 | 142.5 | 137.7 | -106.7 | 162 | -175 | -169.2 | 0.9 | 111.9 | ||||
| 231 | T | 34.5 | Very low | 35.2 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 161.7 | 161.8 | 61 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 232 | P | 46.7 | Very low | 35.3 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -151.5 | 166 | 80 | 40 | -20.7 | 0 | 0 | 0 | 117.7 | |||||
| 233 | A | 31.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 45.4 | 111.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 234 | A | 30.6 | Very low | 35.5 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | 42.3 | 133.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 235 | F | 28.6 | Very low | 35.8 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | -160.4 | 175.1 | 114.2 | -122.1 | -88.8 | 0 | 0 | 0 | 112.1 | |||||
| 236 | T | 32.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -106.5 | 156.8 | -167.1 | 45.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 237 | H | 32.2 | Very low | 35.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | 168.1 | 152.6 | 117.5 | -103.4 | -89.3 | 0 | 0 | 0 | 116.8 | |||||
| 238 | H | 32.3 | Very low | 35.5 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | 48.1 | 155.5 | 154.3 | -63.7 | -60.9 | 0 | 0 | 0 | 122.5 | ||||
| 239 | Q | 35.8 | Very low | 35.5 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -171 | 158.1 | -42.6 | -128 | -177.5 | -50.9 | 0 | 0 | 108.9 | ||||
| 240 | P | 53.4 | Low | 35.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 149.9 | -171.3 | 40.9 | -30.3 | 0 | 0 | 0 | 117.5 | ||||
| 241 | P | 55.1 | Low | 35.6 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -99.8 | -170.5 | 145.8 | 25.3 | -7.2 | 0 | 0 | 0 | 110.2 | ||||
| 242 | V | 34.5 | Very low | 35.5 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -148.4 | 178.7 | 18.5 | -142.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 243 | A | 32.2 | Very low | 34.9 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 10 | 124.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 244 | A | 34.2 | Very low | 35.1 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | 72.4 | 140.1 | 62 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 245 | Q | 35.8 | Very low | 35.4 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | cis | -143.5 | 149.6 | 37.3 | -59 | 169.5 | -7.6 | 0 | 0 | 114.8 | ||||
| 246 | G | 32.2 | Very low | 35.4 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | 78.5 | 179.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 247 | F | 34 | Very low | 35.4 | Very low | 208 Ų | 208 | 138.6 Ų | 138.6 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | cis | -164.1 | 159.3 | -24 | -99.2 | -48.3 | 0 | 0 | 0 | 110.6 | ||||
| 248 | G | 30.3 | Very low | 35.3 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 99.1 | 130.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 249 | A | 32.6 | Very low | 35.2 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -126.5 | 147.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 250 | H | 35.9 | Very low | 34.8 | Very low | 199 Ų | 199 | 134 Ų | 134 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | -160.7 | 153.3 | 114.1 | -113.9 | -86 | 0 | 0 | 0 | 111 | |||||
| 251 | Q | 32.4 | Very low | 33.9 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -109.6 | 142.7 | -169.8 | -179.4 | -173.7 | 10.5 | 0 | 0 | 111.1 | ||||
| 252 | I | 33.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 138 Ų | 138 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -160.9 | 152.7 | 137 | -99 | 149.2 | 0 | 0 | 0 | 107.7 | ||||
| 253 | Q | 33.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -128.4 | -155.5 | -165.1 | -158.1 | 169.8 | -13.5 | 0 | 0 | 109.3 | ||||
| 254 | L | 35.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | 81.1 | 101.9 | 174.1 | -40.4 | -175 | 0 | 0 | 0 | 112.3 | ||||
| 255 | Q | 35.7 | Very low | 33 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | 96.1 | 132.1 | 75.4 | -84.9 | 161.3 | -1.2 | 0 | 0 | 110.8 | |||||
| 256 | G | 28.4 | Very low | 32.8 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 152.9 | 172.2 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 257 | R | 32.9 | Very low | 32.8 | Very low | 233 Ų | 233 | 153.1 Ų | 153.1 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 67.4 | 114.9 | 172.6 | -77.2 | -177.4 | 168.8 | 155.1 | -1.8 | 115.6 | ||||
| 258 | T | 31 | Very low | 33.2 | Very low | 114 Ų | 114 | 149 Ų | 149 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | 67.2 | 146.5 | 83.6 | 71.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 259 | D | 29.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -159.2 | -174 | 27.4 | -138.1 | -42.6 | 0 | 0 | 0 | 114.5 | ||||
| 260 | C | 27.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | 75.9 | 110 | 157.8 | -65.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 261 | T | 35.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -64.2 | 156.9 | 153.5 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 262 | L | 29.5 | Very low | 33.2 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -168.5 | 155 | 138.2 | -106 | 165.8 | 0 | 0 | 0 | 111 | ||||
| 263 | Q | 32.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 156 Ų | 156 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -146.3 | 179.6 | -173.8 | -148.2 | -162.9 | 12.9 | 0 | 0 | 109.4 | ||||
| 264 | P | 45.3 | Very low | 33.3 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 59% | 0.591 | 79% | 0.794 | S | S | * | * | -95.4 | 177.8 | -83.7 | 35.6 | -25.5 | 0 | 0 | 0 | 113.4 | |||||
| 265 | Q | 30.1 | Very low | 33.4 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -138.6 | 142.8 | 159.1 | -69 | -60.9 | -23.4 | 0 | 0 | 110.8 | ||||
| 266 | M | 30.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -126 | 140 | -179.2 | -73.7 | -123 | -69.4 | 0 | 0 | 111.6 | ||||
| 267 | R | 32.6 | Very low | 33.7 | Very low | 247 Ų | 247 | 160.7 Ų | 160.7 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -168 | 162.3 | 160.6 | -106.4 | 156.4 | -162.9 | -113.2 | 0.3 | 110.2 | ||||
| 268 | P | 42 | Very low | 33.7 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -129.5 | -180 | -117.8 | 37.3 | -18.8 | 0 | 0 | 0 | 116.4 | |||||
| 269 | L | 33.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -48 | 152.6 | 179.6 | -72.6 | 146.5 | 0 | 0 | 0 | 116.2 | ||||
| 270 | H | 32.5 | Very low | 34.1 | Very low | 186 Ų | 186 | 161.6 Ų | 161.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -120.8 | 142.3 | 149.6 | -126.6 | 75.2 | 0 | 0 | 0 | 109.3 | ||||
| 271 | H | 33.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 163.9 Ų | 163.9 | 73% | 0.731 | 80% | 0.799 | S | S | * | * | trans | -87.1 | 144.6 | 177.7 | -89.2 | 28.3 | 0 | 0 | 0 | 111.7 | ||||
| 272 | H | 32.3 | Very low | 34.7 | Very low | 194 Ų | 194 | 165.3 Ų | 165.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -136 | 139.9 | 147.5 | -115.5 | 54.1 | 0 | 0 | 0 | 110 | ||||
| 273 | H | 35.2 | Very low | 35.1 | Very low | 161 Ų | 161 | 163.1 Ų | 163.1 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -116.7 | 124.9 | -166.8 | -158.9 | -174.5 | 0 | 0 | 0 | 107.8 | ||||
| 274 | H | 34.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -139.2 | 114.9 | 173.8 | -139.8 | -76.8 | 0 | 0 | 0 | 111.2 | ||||
| 275 | H | 36.2 | Very low | 34.7 | Very low | 148 Ų | 148 | 163.5 Ų | 163.5 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -72.6 | 143.6 | 166.6 | -89.9 | -91.8 | 0 | 0 | 0 | 109.8 | ||||
| 276 | L | 36.3 | Very low | 34.8 | Very low | 139 Ų | 139 | 161.9 Ų | 161.9 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | -133.4 | 112.9 | 155.7 | -76.4 | 177.5 | 0 | 0 | 0 | 109.5 | ||||
| 277 | H | 33.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 158.9 Ų | 158.9 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | -88.6 | 119.9 | 159.8 | -109.8 | -84.5 | 0 | 0 | 0 | 107 | ||||
| 278 | H | 34.3 | Very low | 34.8 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -88.2 | 132.9 | 160.6 | -92.8 | -91.6 | 0 | 0 | 0 | 109.8 | ||||
| 279 | H | 35 | Very low | 34.5 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -135 | 112.3 | 176.8 | -154.4 | -63.8 | 0 | 0 | 0 | 105.6 | H281 | H279-H281 PolarHBondContact O-N 2.8Š| ||
| 280 | D | 34.5 | Very low | 34.4 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -59.7 | 125.3 | -172.9 | -82 | -60.1 | 0 | 0 | 0 | 111.3 | ||||
| 281 | H | 34.3 | Very low | 34.5 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 73% | 0.731 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 98.7 | -176.2 | -148 | -58.4 | 0 | 0 | 0 | 108.2 | H279 Q283 | H279-H281 PolarHBondContact O-N 2.8Å; H281-Q283 PolarHBondContact O-N 3.03Å | ||
| 282 | D | 40.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 157 Ų | 157 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 89.6 | -176.1 | -149.6 | -31.9 | 0 | 0 | 0 | 109.5 | ||||
| 283 | Q | 37.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 152 Ų | 152 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | trans | -85 | 123.9 | -175.9 | -72.4 | -145.6 | 20.2 | 0 | 0 | 111.4 | H281 | H281-Q283 PolarHBondContact O-N 3.03Š| ||
| 284 | N | 35.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 91.9 | 157.6 | -172.3 | -28.9 | 0 | 0 | 0 | 107.6 | ||||
| 285 | Q | 34.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -90.9 | 137.1 | 173.1 | -70.8 | -165.2 | 53.8 | 0 | 0 | 110.3 | ||||
| 286 | L | 33 | Very low | 34.2 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -156.9 | 125.1 | 146.1 | -109.7 | 162.8 | 0 | 0 | 0 | 108.7 | ||||
| 287 | S | 30.4 | Very low | 34.5 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 40.2 | 109.9 | 165.4 | 60.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 288 | S | 31.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -143.7 | 123.6 | 145.7 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 289 | Q | 35.8 | Very low | 34.5 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -128 | 138.6 | 166.5 | -68.6 | -173.5 | -6 | 0 | 0 | 108.5 | ||||
| 290 | Y | 31.2 | Very low | 34.4 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 63.8 | 147.1 | 179.6 | -54.6 | -80.4 | 0 | 0 | 0 | 114.8 | ||||
| 291 | M | 34.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | cis | -125.2 | 165.8 | 0.8 | -87 | -60.2 | 176.3 | 0 | 0 | 112.1 | ||||
| 292 | N | 30.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 136.1 | 171.8 | -67 | -66.7 | 0 | 0 | 0 | 112.5 | ||||
| 293 | A | 31.2 | Very low | 33.9 | Very low | 90 Ų | 90 | 152.3 Ų | 152.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -164.7 | 132.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 294 | P | 39.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -90.5 | 130 | 179.5 | 33.4 | -31.9 | 0 | 0 | 0 | 112.7 | ||||
| 295 | Y | 29.5 | Very low | 34 | Very low | 231 Ų | 231 | 151 Ų | 151 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -92.9 | 120.9 | 171.4 | -113.5 | -94.3 | 0 | 0 | 0 | 110.9 | ||||
| 296 | H | 35.9 | Very low | 34 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -114.9 | 115.5 | 175 | -127.1 | -84.2 | 0 | 0 | 0 | 109.7 | H298 | H296-H298 PolarHBondContact O-N 2.95Š| ||
| 297 | P | 42.2 | Very low | 34 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | trans | -84.8 | 108.2 | 179.6 | 31.4 | -31.7 | 0 | 0 | 0 | 111.3 | ||||
| 298 | H | 34.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -96.9 | 120.2 | 168.5 | -88.3 | -87.8 | 0 | 0 | 0 | 111.2 | H296 | H296-H298 PolarHBondContact O-N 2.95Š| ||
| 299 | Y | 33.8 | Very low | 34.1 | Very low | 222 Ų | 222 | 156 Ų | 156 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -79.4 | 131.9 | 164.3 | -83.5 | -95.4 | 0 | 0 | 0 | 110.3 | ||||
| 300 | A | 31.8 | Very low | 34 | Very low | 99 Ų | 99 | 156.6 Ų | 156.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -146.1 | 138.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 301 | H | 34.7 | Very low | 34 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -95.6 | 169.5 | 177.7 | -85.7 | -95.5 | 0 | 0 | 0 | 112.3 | ||||
| 302 | R | 33.5 | Very low | 33.9 | Very low | 255 Ų | 255 | 156.1 Ų | 156.1 | 96% | 0.962 | 83% | 0.827 | S | S | * | * | trans | 94.7 | 141.5 | -177.3 | -56.6 | 172.1 | -170.7 | -151.9 | 3.4 | 112.7 | ||||
| 303 | G | 30.4 | Very low | 34 | Very low | 73 Ų | 73 | 157 Ų | 157 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | cis | 176.5 | 131.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 304 | A | 32.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 161.5 Ų | 161.5 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -88 | 137 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 305 | P | 43.4 | Very low | 34.2 | Very low | 123 Ų | 123 | 160.6 Ų | 160.6 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83 | 148.2 | 161.1 | 34.2 | -31.7 | 0 | 0 | 0 | 110.9 | ||
| 306 | Q | 34.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 159.1 Ų | 159.1 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 148.3 | 170.4 | -66.9 | 177.4 | -24.8 | 0 | 0 | 110.4 | ||
| 307 | F | 32 | Very low | 34.2 | Very low | 215 Ų | 215 | 159.9 Ų | 159.9 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | trans | -143.4 | 146.6 | 151.7 | -131.8 | -92.3 | 0 | 0 | 0 | 109.8 | ||||
| 308 | Q | 34 | Very low | 33.8 | Very low | 184 Ų | 184 | 161.9 Ų | 161.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -96.8 | 145.9 | -172.8 | -67.9 | 173.4 | -26.7 | 0 | 0 | 111.6 | ||||
| 309 | G | 31.2 | Very low | 33.8 | Very low | 67 Ų | 67 | 162.5 Ų | 162.5 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -162.3 | 104.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 310 | Q | 32.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -92.5 | 132.8 | 179.2 | -67.7 | 175.5 | -31.4 | 0 | 0 | 110.2 | ||||
| 311 | Y | 32.6 | Very low | 34.6 | Very low | 231 Ų | 231 | 157.5 Ų | 157.5 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -137 | 123.6 | 164.8 | -73.5 | -76 | 0 | 0 | 0 | 110 | ||||
| 312 | S | 31.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -112.3 | 147.9 | 179.1 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | M | 32.8 | Very low | 34.5 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 143.7 | 179.3 | -63.4 | -71.2 | -178.4 | 0 | 0 | 111.9 | ||||
| 314 | H | 32.8 | Very low | 35 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -154.2 | 136.5 | 156 | -135.8 | -85.6 | 0 | 0 | 0 | 112 | ||||
| 315 | P | 42.4 | Very low | 35.2 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | trans | -95 | 161.5 | 173.5 | 36.7 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 316 | Q | 33.3 | Very low | 34.7 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -149.1 | 174.2 | 170.1 | -123.3 | 171 | -12.5 | 0 | 0 | 111.6 | ||||
| 317 | Q | 32.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -121.5 | 158 | -152.3 | -66.1 | -175.9 | -8.5 | 0 | 0 | 116.5 | ||||
| 318 | H | 32.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 70% | 0.704 | 82% | 0.823 | S | S | * | * | trans | 36.5 | 138.3 | 148.7 | -67.3 | -62.1 | 0 | 0 | 0 | 123.1 | ||||
| 319 | H | 33.7 | Very low | 35.1 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | 173.2 | 179.3 | 118.5 | -85.6 | -62.2 | 0 | 0 | 0 | 109.8 | |||||
| 320 | P | 51.4 | Low | 35.6 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | -140 | -178.7 | -97.5 | 38.3 | -14.8 | 0 | 0 | 0 | 118.9 | |||||
| 321 | A | 32.1 | Very low | 36.4 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 78.2 | 112.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 322 | A | 34.3 | Very low | 37.2 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -175.6 | 103 | 137.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 323 | S | 32 | Very low | 37.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | 74.5 | 101.5 | 71.2 | -165.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 324 | L | 40.6 | Very low | 37.6 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -164 | 156 | 140 | -109.6 | 172.5 | 0 | 0 | 0 | 111.3 | ||||
| 325 | Q | 36.4 | Very low | 38.8 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -79.4 | 155.4 | -169.4 | -94 | 73.8 | 3.8 | 0 | 0 | 115.7 | ||||
| 326 | G | 33.8 | Very low | 38.5 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -165.8 | 97.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 327 | M | 35.7 | Very low | 38.8 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -47.7 | 125.7 | -177.4 | -70.3 | 166.2 | -175.2 | 0 | 0 | 114.3 | ||||
| 328 | M | 38 | Very low | 39.2 | Very low | 172 Ų | 172 | 136 Ų | 136 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | 55.5 | 112.3 | 98.4 | -71.5 | -85.5 | -168.5 | 0 | 0 | 115.9 | |||||
| 329 | L | 34.3 | Very low | 39.4 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | 178.7 | 131.2 | 113.6 | -94.2 | 168.7 | 0 | 0 | 0 | 111.8 | |||||
| 330 | T | 41.9 | Very low | 39.7 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -97.6 | 166.9 | 156.7 | 62.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 331 | P | 48.7 | Very low | 39.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | -149.6 | -146.3 | 80.8 | 46.5 | -24.7 | 0 | 0 | 0 | 111.7 | |||||
| 332 | P | 51 | Low | 40 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -135.6 | -165.6 | -122.8 | 38.2 | -13.6 | 0 | 0 | 0 | 115.5 | |||||
| 333 | S | 35.2 | Very low | 40.4 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 127.7 | 125.4 | 144.7 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 334 | S | 37.5 | Very low | 41.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -85.2 | -169.1 | 174.3 | -20.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 335 | P | 56.6 | Low | 41.5 | Very low | 109 Ų | 109 | 143 Ų | 143 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -134.5 | -153 | -18.5 | 33 | -9.7 | 0 | 0 | 0 | 112.6 | ||||
| 336 | L | 36.3 | Very low | 41.8 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 87.6 | 113.7 | 166.9 | -51.9 | 176.5 | 0 | 0 | 0 | 115.1 | ||||
| 337 | L | 39.7 | Very low | 41.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | -157.9 | 146.9 | 50.8 | -97.3 | 158.5 | 0 | 0 | 0 | 111.8 | |||||
| 338 | D | 40.4 | Very low | 42.5 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -74.8 | 145.4 | 159.7 | -62.2 | -71.4 | 0 | 0 | 0 | 110.9 | ||||
| 339 | F | 38.3 | Very low | 42.9 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | 175 | 160 | 114.9 | -111.5 | -93.3 | 0 | 0 | 0 | 112.3 | |||||
| 340 | Y | 38.9 | Very low | 43.7 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 116.9 | 176.7 | -69.5 | -79.4 | 0 | 0 | 0 | 118.2 | ||||
| 341 | A | 46.7 | Very low | 43.9 | Very low | 86 Ų | 86 | 141.9 Ų | 141.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -87.7 | 154.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 342 | H | 42.8 | Very low | 43.7 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | -166.9 | 160.5 | 122.8 | -107.3 | -70.3 | 0 | 0 | 0 | 112 | E344 | H342-E344 PolarHBondContact O-N 3.49Š| |||
| 343 | D | 43.6 | Very low | 43.5 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -17.6 | 107.8 | 177.7 | -60.9 | -108.7 | 0 | 0 | 0 | 118.8 | A345 | D343-A345 VanDerWaalsContact C-N 3.33Å; D343-A345 PolarHBondContact O-N 2.99Å | ||
| 344 | E | 48.5 | Very low | 44 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 88.6 | 158.3 | -91.5 | -69.2 | 143.9 | 0 | 0 | 110 | H342 G346 | H342-E344 PolarHBondContact O-N 3.49Å; E344-G346 PolarHBondContact O-N 2.84Å; E344-G346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | A | 48.1 | Very low | 44.8 | Very low | 83 Ų | 83 | 154.7 Ų | 154.7 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -66.4 | 111 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D343 C347 | D343-A345 VanDerWaalsContact C-N 3.33Å; D343-A345 PolarHBondContact O-N 2.99Å; A345-C347 PolarHBondContact O-N 3.45Å | ||
| 346 | G | 42 | Very low | 44.2 | Very low | 73 Ų | 73 | 154.1 Ų | 154.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -56.7 | 95.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | E344 V348 | E344-G346 PolarHBondContact O-N 2.84Å; E344-G346 VanDerWaalsContact O-N 3.14Å; G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.37Å | ||
| 347 | C | 33.8 | Very low | 44.5 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -75 | 73.8 | -173.7 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | A345 K349 | A345-C347 PolarHBondContact O-N 3.45Å; C347-K349 PolarHBondContact O-N 2.84Å | ||
| 348 | V | 49.5 | Very low | 45.4 | Very low | 125 Ų | 125 | 154 Ų | 154 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -62.2 | 104.4 | 170.6 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | G346 Q350 | G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.37Å; V348-Q350 PolarHBondContact O-N 2.8Å | ||
| 349 | K | 47.2 | Very low | 46.7 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -65.5 | 78.7 | 178.4 | -67.8 | -179.3 | -179.1 | 175.3 | 0 | 111 | C347 K351 | C347-K349 PolarHBondContact O-N 2.84Å; K349-K351 PolarHBondContact O-N 3.1Å; K349-K351 VanDerWaalsContact O-N 3.15Å | ||
| 350 | Q | 51.1 | Low | 48.1 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -55.7 | 119.8 | 174.4 | -72.1 | -170.8 | -4.4 | 0 | 0 | 109.5 | V348 R352 | V348-Q350 PolarHBondContact O-N 2.8Å; Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.12Å | ||
| 351 | K | 45.3 | Very low | 49.7 | Very low | 212 Ų | 212 | 157.7 Ų | 157.7 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 88.5 | 171.4 | -69.4 | -177.1 | 179.6 | 178.8 | 0 | 108.9 | K349 G353 | K349-K351 PolarHBondContact O-N 3.1Å; K349-K351 VanDerWaalsContact O-N 3.15Å; K351-G353 PolarHBondContact O-N 3.31Å | ||
| 352 | R | 46.1 | Very low | 51.4 | Low | 233 Ų | 233 | 157 Ų | 157 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -66 | 73.2 | 171.3 | -81 | -177.1 | 152.8 | -171.3 | -5.8 | 110.1 | Q350 R354 | Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.12Å; R352-R354 PolarHBondContact O-N 3.1Å | ||
| 353 | G | 45.3 | Very low | 53.3 | Low | 57 Ų | 57 | 150.9 Ų | 150.9 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | trans | -55.1 | 135.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K351 K355 | K351-G353 PolarHBondContact O-N 3.31Å; G353-K355 PolarHBondContact O-N 2.87Å | ||
| 354 | R | 46.6 | Very low | 55.3 | Low | 257 Ų | 257 | 149 Ų | 149 | 97% | 0.97 | 75% | 0.75 | S | S | * | * | trans | -67.9 | 72.1 | -178.6 | -73 | -176.9 | 171.8 | -175 | -2.3 | 111.3 | R352 S356 | R352-R354 PolarHBondContact O-N 3.1Å; R354-S356 PolarHBondContact O-N 3.26Å | ||
| 355 | K | 54.1 | Low | 57.3 | Low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | -63.4 | 103 | 167.6 | -68.3 | -176.6 | 179.4 | -178.3 | 0 | 107.5 | G353 W357 | G353-K355 PolarHBondContact O-N 2.87Å; K355-W357 PolarHBondContact O-N 3.3Å | ||
| 356 | S | 44.3 | Very low | 59.4 | Low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | trans | -61.5 | 104.9 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | R354 T358 | R354-S356 PolarHBondContact O-N 3.26Å; S356-T358 PolarHBondContact O-N 3.31Å | ||
| 357 | W | 42.4 | Very low | 61.8 | Low | 214 Ų | 214 | 139.7 Ų | 139.7 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 61.5 | -178.8 | -101.1 | 90.3 | 0 | 0 | 0 | 111 | K355 R359 | K355-W357 PolarHBondContact O-N 3.3Å; W357-R359 PolarHBondContact O-N 2.8Å | ||
| 358 | T | 58.9 | Low | 64.5 | Low | 108 Ų | 108 | 142.2 Ų | 142.2 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | -67.9 | 82.6 | 163.2 | 49.2 | 0 | 0 | 0 | 0 | 108.4 | S356 K360 | S356-T358 PolarHBondContact O-N 3.31Å; T358-K360 VanDerWaalsContact C-N 3.29Å; T358-K360 PolarHBondContact O-N 3.26Å | ||
| 359 | R | 67.7 | Low | 66.4 | Low | 209 Ų | 209 | 140.6 Ų | 140.6 | 79% | 0.789 | 66% | 0.66 | S | S | * | * | trans | -62.6 | 91.7 | 177.5 | -160.4 | -170.1 | -63.5 | 176.7 | 0.8 | 107.9 | W357 R361 | W357-R359 PolarHBondContact O-N 2.8Å; R359-R361 PolarHBondContact O-N 3.03Å | ||
| 360 | K | 66.6 | Low | 68.5 | Low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -56.8 | 101.9 | -178.6 | -69.4 | -176.6 | -179.3 | 179.3 | 0 | 108.3 | T358 A362 | T358-K360 VanDerWaalsContact C-N 3.29Å; T358-K360 PolarHBondContact O-N 3.26Å; K360-A362 PolarHBondContact O-N 3.37Å | ||
| 361 | R | 73 | Confident | 70.3 | Confident | 213 Ų | 213 | 133.4 Ų | 133.4 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -61.9 | 134.6 | 174.2 | -61.9 | -171.6 | -175.1 | -158.4 | 2 | 107.7 | R359 T377 | R359-R361 PolarHBondContact O-N 3.03Å; R361-T377 VanDerWaalsContact O-CG2 3.32Å; R361-T377 WeakPolarHBondContact O-CG2 3.33Å | ||
| 362 | A | 81.8 | Confident | 72.5 | Confident | 72 Ų | 72 | 124.3 Ų | 124.3 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | trans | -59.1 | 148.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K360 T364 | K360-A362 PolarHBondContact O-N 3.37Å; A362-T364 HydrophobicContact CB-CG2 4.38Å; A362-T364 PolarHBondContact O-N 3.48Å; A362-T364 VanDerWaalsContact O-N 3.15Å | ||
| 363 | A | 82.5 | Confident | 74.5 | Confident | 47 Ų | 47 | 116.4 Ų | 116.4 | 39% | 0.388 | 62% | 0.616 | S | S | . | * | trans | -81.4 | 90.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y376 T377 | A363-Y376 CarbonylContact C-O 3.53Å; A363-Y376 WeakPolarHBondContact CA-O 3.49Å; A363-T377 HydrophobicContact CB-CG2 4.17Å | ||
| 364 | T | 86.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 118.5 Ų | 118.5 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | trans | -87.8 | -8.5 | -173.5 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | A362 Y376 | A362-T364 HydrophobicContact CB-CG2 4.38Å; A362-T364 PolarHBondContact O-N 3.48Å; A362-T364 VanDerWaalsContact O-N 3.15Å; T364-Y376 PolarHBondContact N-O 3.4Å; T364-Y376 VanDerWaalsContact N-O 3.16Å | ||
| 365 | H | 90.4 | Very high | 79 | Confident | 59 Ų | 59 | 110.3 Ų | 110.3 | 27% | 0.273 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 99.2 | -175.4 | -56.6 | -74.2 | 0 | 0 | 0 | 110.4 | T375 Y376 S379 L382 | H365-T375 CarbonylContact O-C 3.17Å; H365-T375 WeakPolarHBondContact O-CA 3.36Å; H365-Y376 WeakPolarHBondContact CB-O 3.2Å; H365-Y376 PolarHBondContact N-O 3.16Å; H365-Y376 PolarHBondContact O-N 3.05Å; H365-S379 PolarHBondContact CD2-N 2.9Å; H365-S379 VanDerWaalsContact CD2-N 3.25Å; H365-S379 PolarHBondContact NE2-N 3.16Å; H365-L382 HydrophobicContact CB-CB 4.11Å; H365-L382 HydrophobicContact CB-CD2 3.88Å |
| 366 | N | 91.9 | Very high | 80.8 | Confident | 86 Ų | 86 | 104.1 Ų | 104.1 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.1 | 176.2 | 55.6 | -44.8 | 0 | 0 | 0 | 112.3 | K374 T375 L382 | N366-K374 CarbonylContact C-O 3.57Å; N366-T375 HydrophobicContact CB-CG2 4.19Å; N366-L382 WeakPolarHBondContact O-CD1 3.44Å; N366-L382 WeakPolarHBondContact O-CD2 3.48Å |
| 367 | C | 93.3 | Very high | 83.1 | Confident | 8 Ų | 8 | 102.7 Ų | 102.7 | 5% | 0.054 | 55% | 0.547 | C | S | . | . | trans | -86.6 | 117.3 | 165.6 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | F369 C372 K374 L382 H385 H389 | C367-F369 VanDerWaalsContact C-N 3.27Å; C367-F369 PolarHBondContact O-N 3.33Å; C367-C372 HydrophobicContact CB-CB 4.4Å; C367-K374 HydrophobicContact CB-CB 4.43Å; C367-K374 WeakPolarHBondContact CB-O 3.33Å; C367-K374 PolarHBondContact N-O 2.93Å; C367-L382 HydrophobicContact CB-CD1 3.98Å; C367-H385 PolarHBondContact SG-NE2 3.43Å; C367-H385 VanDerWaalsContact SG-NE2 3.37Å; C367-H389 PolarHBondContact SG-NE2 2.95Å | ||
| 368 | E | 89.6 | Confident | 85.4 | Confident | 165 Ų | 165 | 97.9 Ų | 97.9 | 77% | 0.771 | 53% | 0.532 | S | S | * | . | trans | -83.1 | -2.3 | -179.4 | -62.3 | 174.4 | 167.9 | 0 | 0 | 113 | ||||
| 369 | F | 90.5 | Very high | 86.8 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 40% | 0.404 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -65.9 | 130.6 | 178.5 | -167.6 | -90.6 | 0 | 0 | 0 | 111.1 | C367 G371 C372 M386 H389 | C367-F369 VanDerWaalsContact C-N 3.27Å; C367-F369 PolarHBondContact O-N 3.33Å; F369-G371 PolarHBondContact O-N 2.88Å; F369-C372 HydrophobicContact CB-CB 4.17Å; F369-C372 HydrophobicContact CD1-CB 4.49Å; F369-C372 WeakPolarHBondContact O-CB 3.41Å; F369-C372 PolarHBondContact O-N 3.07Å; F369-M386 HydrophobicContact CB-CE 4.44Å; F369-H389 VanDerWaalsContact CB-CD2 3.48Å; F369-H389 WeakPolarHBondContact CB-CD2 3.45Å; F369-H389 HydrophobicContact CD1-CB 4.41Å; F369-H389 AromaticContact CD1-CE1 3.84Å; F369-H389 AromaticContact CD1-CG 3.83Å; F369-H389 AromaticContact CD1-ND1 3.51Å; F369-H389 HydrophobicContact CD2-CB 3.65Å; F369-H389 AromaticContact CD2-CG 3.79Å; F369-H389 AromaticContact CE1-ND1 3.84Å; F369-H389 HydrophobicContact CE2-CB 3.79Å; F369-H389 HydrophobicContact CG-CB 3.98Å; F369-H389 AromaticContact CG-CD2 3.65Å; F369-H389 AromaticContact CG-CG 3.55Å; F369-H389 AromaticContact CG-ND1 3.76Å; F369-H389 HydrophobicContact CZ-CB 4.24Å |
| 370 | P | 90.9 | Very high | 87.9 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 69% | 0.688 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 129.1 | -177.4 | -30.7 | 36.4 | 0 | 0 | 0 | 113.4 | C372 | P370-C372 PolarHBondContact O-N 3.11Š|
| 371 | G | 89.1 | Confident | 89 | Confident | 92 Ų | 92 | 84.3 Ų | 84.3 | 95% | 0.948 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | F369 | F369-G371 PolarHBondContact O-N 2.88Š|
| 372 | C | 90.7 | Very high | 89.9 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 14% | 0.142 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -49.9 | -177.4 | -164 | 0 | 0 | 0 | 0 | 114.6 | C367 F369 P370 K374 H385 H389 | C367-C372 HydrophobicContact CB-CB 4.4Å; F369-C372 HydrophobicContact CB-CB 4.17Å; F369-C372 HydrophobicContact CD1-CB 4.49Å; F369-C372 WeakPolarHBondContact O-CB 3.41Å; F369-C372 PolarHBondContact O-N 3.07Å; P370-C372 PolarHBondContact O-N 3.11Å; C372-K374 PolarHBondContact O-N 3.41Å; C372-H385 PolarHBondContact SG-NE2 3.29Å; C372-H389 WeakPolarHBondContact CB-CE1 3.19Å; C372-H389 WeakPolarHBondContact CB-NE2 3.49Å; C372-H389 PolarHBondContact SG-CE1 3.08Å; C372-H389 PolarHBondContact SG-NE2 3.43Å |
| 373 | G | 89 | Confident | 90.2 | Very high | 66 Ų | 66 | 79.2 Ų | 79.2 | 68% | 0.68 | 46% | 0.46 | S | S | * | . | trans | 63.9 | -0.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 374 | K | 91.8 | Very high | 90.4 | Very high | 102 Ų | 102 | 78 Ų | 78 | 44% | 0.443 | 45% | 0.451 | S | S | . | . | trans | -70.8 | 142.3 | -176.4 | -65.7 | 173.4 | -166.8 | 164 | 0 | 111.7 | N366 C367 C372 Y376 | N366-K374 CarbonylContact C-O 3.57Å; C367-K374 HydrophobicContact CB-CB 4.43Å; C367-K374 WeakPolarHBondContact CB-O 3.33Å; C367-K374 PolarHBondContact N-O 2.93Å; C372-K374 PolarHBondContact O-N 3.41Å; K374-Y376 HydrophobicContact CB-CE2 3.71Å | ||
| 375 | T | 93.2 | Very high | 90.6 | Very high | 84 Ų | 84 | 74.1 Ų | 74.1 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.4 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | H365 N366 | H365-T375 CarbonylContact O-C 3.17Å; H365-T375 WeakPolarHBondContact O-CA 3.36Å; N366-T375 HydrophobicContact CB-CG2 4.19Å |
| 376 | Y | 92.4 | Very high | 90.6 | Very high | 51 Ų | 51 | 74.2 Ų | 74.2 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.4 | -169.7 | -62.7 | -86.7 | 0 | 0 | 0 | 112 | A363 T364 H365 K374 K378 H381 L382 H385 | A363-Y376 CarbonylContact C-O 3.53Å; A363-Y376 WeakPolarHBondContact CA-O 3.49Å; T364-Y376 PolarHBondContact N-O 3.4Å; T364-Y376 VanDerWaalsContact N-O 3.16Å; H365-Y376 WeakPolarHBondContact CB-O 3.2Å; H365-Y376 PolarHBondContact N-O 3.16Å; H365-Y376 PolarHBondContact O-N 3.05Å; K374-Y376 HydrophobicContact CB-CE2 3.71Å; Y376-K378 VanDerWaalsContact C-N 3.34Å; Y376-H381 HydrophobicContact CD1-CB 3.63Å; Y376-H381 HydrophobicContact CE1-CB 4.47Å; Y376-H381 HydrophobicContact CG-CB 4.16Å; Y376-L382 HydrophobicContact CD2-CB 4.1Å; Y376-L382 HydrophobicContact CD2-CD1 4.06Å; Y376-L382 HydrophobicContact CE2-CD1 4.35Å; Y376-L382 HydrophobicContact CG-CB 4.36Å; Y376-H385 HydrophobicContact CE1-CB 4.3Å; Y376-H385 HydrophobicContact CE2-CB 4.04Å; Y376-H385 AromaticContact CE2-CD2 3.37Å; Y376-H385 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H385 AromaticContact CE2-CG 3.91Å; Y376-H385 AromaticContact CZ-CD2 3.59Å; Y376-H385 AromaticContact CZ-CG 3.69Å; Y376-H385 PolarHBondContact OH-CD2 3.01Å |
| 377 | T | 92.5 | Very high | 90.5 | Very high | 68 Ų | 68 | 71.9 Ų | 71.9 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -87.9 | 0.4 | 177.8 | 55 | 0 | 0 | 0 | 0 | 113.9 | R361 A363 | R361-T377 VanDerWaalsContact O-CG2 3.32Å; R361-T377 WeakPolarHBondContact O-CG2 3.33Å; A363-T377 HydrophobicContact CB-CG2 4.17Å |
| 378 | K | 90.1 | Very high | 90.2 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -145.1 | 137.7 | 174.9 | -60.7 | -171.5 | -173.1 | 176.4 | 0 | 110.2 | Y376 S380 H381 L382 | Y376-K378 VanDerWaalsContact C-N 3.34Å; K378-S380 PolarHBondContact O-N 3.01Å; K378-H381 HydrophobicContact CB-CB 4.43Å; K378-H381 PolarHBondContact O-N 3.02Å; K378-H381 VanDerWaalsContact O-N 3.11Å; K378-L382 PolarHBondContact O-N 3.33Å |
| 379 | S | 90.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.7 | -35.4 | 172.6 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | H365 H381 L382 K383 | H365-S379 PolarHBondContact CD2-N 2.9Å; H365-S379 VanDerWaalsContact CD2-N 3.25Å; H365-S379 PolarHBondContact NE2-N 3.16Å; S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 2.95Å; S379-L382 PolarHBondContact O-N 3.43Å; S379-K383 PolarHBondContact O-N 3.42Å |
| 380 | S | 88.8 | Confident | 90 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 175.9 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | K378 A384 | K378-S380 PolarHBondContact O-N 3.01Å; S380-A384 WeakPolarHBondContact O-CB 3.37Å; S380-A384 PolarHBondContact O-N 2.78Å |
| 381 | H | 90.3 | Very high | 89.8 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.398 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 174.6 | -64.1 | -176.3 | 0 | 0 | 0 | 111.2 | Y376 K378 S379 H385 | Y376-H381 HydrophobicContact CD1-CB 3.63Å; Y376-H381 HydrophobicContact CE1-CB 4.47Å; Y376-H381 HydrophobicContact CG-CB 4.16Å; K378-H381 HydrophobicContact CB-CB 4.43Å; K378-H381 PolarHBondContact O-N 3.02Å; K378-H381 VanDerWaalsContact O-N 3.11Å; S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 2.95Å; H381-H385 WeakPolarHBondContact O-CB 3.14Å; H381-H385 PolarHBondContact O-N 3.27Å |
| 382 | L | 91.8 | Very high | 89.8 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 171.4 | 174.1 | 61.6 | 0 | 0 | 0 | 111.2 | H365 N366 C367 Y376 K378 S379 A384 H385 M386 | H365-L382 HydrophobicContact CB-CB 4.11Å; H365-L382 HydrophobicContact CB-CD2 3.88Å; N366-L382 WeakPolarHBondContact O-CD1 3.44Å; N366-L382 WeakPolarHBondContact O-CD2 3.48Å; C367-L382 HydrophobicContact CB-CD1 3.98Å; Y376-L382 HydrophobicContact CD2-CB 4.1Å; Y376-L382 HydrophobicContact CD2-CD1 4.06Å; Y376-L382 HydrophobicContact CE2-CD1 4.35Å; Y376-L382 HydrophobicContact CG-CB 4.36Å; K378-L382 PolarHBondContact O-N 3.33Å; S379-L382 PolarHBondContact O-N 3.43Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 2.98Å; L382-H385 CarbonylContact O-C 3.56Å; L382-H385 WeakPolarHBondContact O-CA 3.49Å; L382-H385 WeakPolarHBondContact O-CB 3.4Å; L382-H385 PolarHBondContact O-N 3.36Å; L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.08Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 WeakPolarHBondContact O-CG 3.4Å; L382-M386 PolarHBondContact O-N 3.23Å |
| 383 | K | 88.2 | Confident | 89.8 | Confident | 147 Ų | 147 | 72.7 Ų | 72.7 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 178.1 | -172.2 | 171.6 | -177.2 | 175.1 | 0 | 112.1 | S379 H385 M386 | S379-K383 PolarHBondContact O-N 3.42Å; K383-H385 VanDerWaalsContact C-N 3.31Å; K383-H385 PolarHBondContact O-N 3.3Å; K383-M386 PolarHBondContact O-N 2.87Å |
| 384 | A | 87.9 | Confident | 89.8 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -32 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S380 L382 R408 | S380-A384 WeakPolarHBondContact O-CB 3.37Å; S380-A384 PolarHBondContact O-N 2.78Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 2.98Å; A384-R408 HydrophobicContact CB-CG 4.34Å |
| 385 | H | 89.4 | Confident | 89.9 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.5 | -39.3 | 173.6 | 169.1 | 36.9 | 0 | 0 | 0 | 113 | C367 C372 Y376 H381 L382 K383 R387 T388 H389 | C367-H385 PolarHBondContact SG-NE2 3.43Å; C367-H385 VanDerWaalsContact SG-NE2 3.37Å; C372-H385 PolarHBondContact SG-NE2 3.29Å; Y376-H385 HydrophobicContact CE1-CB 4.3Å; Y376-H385 HydrophobicContact CE2-CB 4.04Å; Y376-H385 AromaticContact CE2-CD2 3.37Å; Y376-H385 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H385 AromaticContact CE2-CG 3.91Å; Y376-H385 AromaticContact CZ-CD2 3.59Å; Y376-H385 AromaticContact CZ-CG 3.69Å; Y376-H385 PolarHBondContact OH-CD2 3.01Å; H381-H385 WeakPolarHBondContact O-CB 3.14Å; H381-H385 PolarHBondContact O-N 3.27Å; L382-H385 CarbonylContact O-C 3.56Å; L382-H385 WeakPolarHBondContact O-CA 3.49Å; L382-H385 WeakPolarHBondContact O-CB 3.4Å; L382-H385 PolarHBondContact O-N 3.36Å; K383-H385 VanDerWaalsContact C-N 3.31Å; K383-H385 PolarHBondContact O-N 3.3Å; H385-R387 PolarHBondContact O-N 3.44Å; H385-T388 PolarHBondContact CE1-OG1 2.82Å; H385-T388 VanDerWaalsContact CE1-OG1 3.23Å; H385-T388 PolarHBondContact ND1-OG1 3.49Å; H385-T388 WeakPolarHBondContact O-CB 3.39Å; H385-T388 PolarHBondContact O-N 3.11Å; H385-T388 PolarHBondContact O-OG1 3.04Å; H385-H389 AromaticContact CD2-NE2 3.68Å; H385-H389 AromaticContact CE1-CD2 3.84Å; H385-H389 AromaticContact CE1-NE2 2.88Å; H385-H389 PolarHBondContact CE1-NE2 2.78Å; H385-H389 AromaticContact NE2-CD2 3.99Å; H385-H389 AromaticContact NE2-NE2 2.56Å; H385-H389 PolarHBondContact NE2-NE2 3.26Å |
| 386 | M | 89.9 | Confident | 89.9 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 30% | 0.3 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.9 | -28.7 | -178.9 | -69.5 | -54.6 | -65.4 | 0 | 0 | 112.9 | F369 L382 K383 T388 H389 T390 | F369-M386 HydrophobicContact CB-CE 4.44Å; L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.08Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 WeakPolarHBondContact O-CG 3.4Å; L382-M386 PolarHBondContact O-N 3.23Å; K383-M386 PolarHBondContact O-N 2.87Å; M386-T388 PolarHBondContact O-N 2.96Å; M386-H389 WeakPolarHBondContact O-CA 3.42Å; M386-H389 WeakPolarHBondContact O-CB 3.42Å; M386-H389 PolarHBondContact O-N 2.9Å; M386-T390 PolarHBondContact O-N 2.97Å; M386-T390 VanDerWaalsContact O-N 3.08Å |
| 387 | R | 90.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 14% | 0.143 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -23 | 171.7 | -61.9 | -174.8 | 178.1 | 140.4 | -0.5 | 114.8 | H385 H389 G391 E392 A407 | H385-R387 PolarHBondContact O-N 3.44Å; R387-H389 PolarHBondContact O-N 2.73Å; R387-G391 CarbonylContact O-C 3.6Å; R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.31Å; R387-E392 HydrophobicContact CB-CB 4.08Å; R387-E392 HydrophobicContact CG-CB 3.86Å; R387-E392 IonicContact NE-OE2 3.82Å; R387-E392 PolarHBondContact O-N 3.29Å; R387-A407 HydrophobicContact CB-CB 4.1Å; R387-A407 VanDerWaalsContact CD-O 3.29Å; R387-A407 WeakPolarHBondContact CD-O 3.46Å; R387-A407 PolarHBondContact NH1-O 2.98Å |
| 388 | T | 88.1 | Confident | 90.1 | Very high | 92 Ų | 92 | 69.8 Ų | 69.8 | 56% | 0.564 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -74.1 | -12.8 | 172.3 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | H385 M386 | H385-T388 PolarHBondContact CE1-OG1 2.82Å; H385-T388 VanDerWaalsContact CE1-OG1 3.23Å; H385-T388 PolarHBondContact ND1-OG1 3.49Å; H385-T388 WeakPolarHBondContact O-CB 3.39Å; H385-T388 PolarHBondContact O-N 3.11Å; H385-T388 PolarHBondContact O-OG1 3.04Å; M386-T388 PolarHBondContact O-N 2.96Å |
| 389 | H | 88.3 | Confident | 90.3 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 27% | 0.269 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -101.2 | -41.9 | 174.6 | -59.4 | -54.3 | 0 | 0 | 0 | 112 | C367 F369 C372 H385 M386 R387 G391 | C367-H389 PolarHBondContact SG-NE2 2.95Å; F369-H389 VanDerWaalsContact CB-CD2 3.48Å; F369-H389 WeakPolarHBondContact CB-CD2 3.45Å; F369-H389 HydrophobicContact CD1-CB 4.41Å; F369-H389 AromaticContact CD1-CE1 3.84Å; F369-H389 AromaticContact CD1-CG 3.83Å; F369-H389 AromaticContact CD1-ND1 3.51Å; F369-H389 HydrophobicContact CD2-CB 3.65Å; F369-H389 AromaticContact CD2-CG 3.79Å; F369-H389 AromaticContact CE1-ND1 3.84Å; F369-H389 HydrophobicContact CE2-CB 3.79Å; F369-H389 HydrophobicContact CG-CB 3.98Å; F369-H389 AromaticContact CG-CD2 3.65Å; F369-H389 AromaticContact CG-CG 3.55Å; F369-H389 AromaticContact CG-ND1 3.76Å; F369-H389 HydrophobicContact CZ-CB 4.24Å; C372-H389 WeakPolarHBondContact CB-CE1 3.19Å; C372-H389 WeakPolarHBondContact CB-NE2 3.49Å; C372-H389 PolarHBondContact SG-CE1 3.08Å; C372-H389 PolarHBondContact SG-NE2 3.43Å; H385-H389 AromaticContact CD2-NE2 3.68Å; H385-H389 AromaticContact CE1-CD2 3.84Å; H385-H389 AromaticContact CE1-NE2 2.88Å; H385-H389 PolarHBondContact CE1-NE2 2.78Å; H385-H389 AromaticContact NE2-CD2 3.99Å; H385-H389 AromaticContact NE2-NE2 2.56Å; H385-H389 PolarHBondContact NE2-NE2 3.26Å; M386-H389 WeakPolarHBondContact O-CA 3.42Å; M386-H389 WeakPolarHBondContact O-CB 3.42Å; M386-H389 PolarHBondContact O-N 2.9Å; R387-H389 PolarHBondContact O-N 2.73Å; H389-G391 VanDerWaalsContact C-N 3.3Å |
| 390 | T | 86.4 | Confident | 90.4 | Very high | 83 Ų | 83 | 74.9 Ų | 74.9 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -78 | -14.1 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | M386 E392 | M386-T390 PolarHBondContact O-N 2.97Å; M386-T390 VanDerWaalsContact O-N 3.08Å; T390-E392 WeakPolarHBondContact CB-OE1 3.49Å; T390-E392 PolarHBondContact O-N 2.85Å; T390-E392 VanDerWaalsContact OG1-CD 3.25Å; T390-E392 WeakPolarHBondContact OG1-CG 3.22Å; T390-E392 PolarHBondContact OG1-OE1 3.14Å |
| 391 | G | 87.3 | Confident | 90.5 | Very high | 51 Ų | 51 | 76 Ų | 76 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | trans | 74.4 | 1.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R387 H389 K393 | R387-G391 CarbonylContact O-C 3.6Å; R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.31Å; H389-G391 VanDerWaalsContact C-N 3.3Å; G391-K393 PolarHBondContact O-N 3.44Å | ||
| 392 | E | 89.3 | Confident | 90.6 | Very high | 97 Ų | 97 | 72.5 Ų | 72.5 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | trans | -53.8 | 127.9 | 179.7 | -84.4 | 166.8 | -117.1 | 0 | 0 | 112.6 | R387 T390 | R387-E392 HydrophobicContact CB-CB 4.08Å; R387-E392 HydrophobicContact CG-CB 3.86Å; R387-E392 IonicContact NE-OE2 3.82Å; R387-E392 PolarHBondContact O-N 3.29Å; T390-E392 WeakPolarHBondContact CB-OE1 3.49Å; T390-E392 PolarHBondContact O-N 2.85Å; T390-E392 VanDerWaalsContact OG1-CD 3.25Å; T390-E392 WeakPolarHBondContact OG1-CG 3.22Å; T390-E392 PolarHBondContact OG1-OE1 3.14Å | ||
| 393 | K | 90.8 | Very high | 90.6 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 42% | 0.419 | S | S | . | . | trans | -130 | 73.5 | 175.9 | -72.1 | 168.7 | 167.8 | -166.3 | 0 | 111.1 | G391 Y395 H396 K405 F406 | G391-K393 PolarHBondContact O-N 3.44Å; K393-Y395 PolarHBondContact O-N 3.4Å; K393-H396 PolarHBondContact O-CE1 3.33Å; K393-H396 PolarHBondContact O-ND1 3.29Å; K393-K405 HydrophobicContact CB-CB 3.73Å; K393-K405 HydrophobicContact CD-CB 4.13Å; K393-K405 WeakPolarHBondContact CD-O 3.44Å; K393-F406 CarbonylContact C-O 3.15Å; K393-F406 WeakPolarHBondContact CA-O 3.24Å | ||
| 394 | P | 89.4 | Confident | 90.8 | Very high | 38 Ų | 38 | 75.3 Ų | 75.3 | 25% | 0.247 | 42% | 0.419 | C | S | . | . | trans | -67.9 | -18.7 | -172.4 | -19.5 | 33.7 | 0 | 0 | 0 | 114.2 | ||||
| 395 | Y | 93.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 79.3 Ų | 79.3 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 112.7 | -175.2 | -54.8 | -80.2 | 0 | 0 | 0 | 109.1 | K393 K405 F406 A407 | K393-Y395 PolarHBondContact O-N 3.4Å; Y395-K405 CarbonylContact O-C 3.55Å; Y395-K405 WeakPolarHBondContact O-CA 3.38Å; Y395-F406 PolarHBondContact N-O 2.87Å; Y395-F406 PolarHBondContact O-N 2.84Å; Y395-A407 WeakPolarHBondContact CE2-O 3.47Å |
| 396 | H | 93.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 80 Ų | 80 | 39% | 0.394 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 148.3 | -177.3 | -57.1 | -18.2 | 0 | 0 | 0 | 110.5 | K393 L412 | K393-H396 PolarHBondContact O-CE1 3.33Å; K393-H396 PolarHBondContact O-ND1 3.29Å; H396-L412 WeakPolarHBondContact O-CD1 3.44Å; H396-L412 VanDerWaalsContact O-CD2 3.24Å; H396-L412 WeakPolarHBondContact O-CD2 3.45Å |
| 397 | C | 95.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 77.8 Ų | 77.8 | 9% | 0.088 | 43% | 0.426 | C | S | . | . | trans | -78.5 | 128.6 | 165.7 | -163.5 | 0 | 0 | 0 | 0 | 109.5 | W399 C402 W404 L412 H415 H419 | C397-W399 VanDerWaalsContact C-N 3.34Å; C397-C402 HydrophobicContact CB-CB 4.26Å; C397-W404 HydrophobicContact CB-CB 4.48Å; C397-W404 PolarHBondContact N-O 3.13Å; C397-L412 HydrophobicContact CB-CD1 4.18Å; C397-H415 PolarHBondContact SG-NE2 3.3Å; C397-H415 VanDerWaalsContact SG-NE2 3.42Å; C397-H419 PolarHBondContact SG-NE2 3.2Å | ||
| 398 | N | 93.5 | Very high | 91.3 | Very high | 115 Ų | 115 | 81.2 Ų | 81.2 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | trans | -96.3 | 13.2 | 177.8 | -59.3 | -9.4 | 0 | 0 | 0 | 112 | ||||
| 399 | W | 93.4 | Very high | 91.4 | Very high | 112 Ų | 112 | 79.8 Ų | 79.8 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -82.3 | 137.2 | 177 | -166.7 | -81.6 | 0 | 0 | 0 | 110 | C397 G401 C402 F416 H419 T420 | C397-W399 VanDerWaalsContact C-N 3.34Å; W399-G401 PolarHBondContact O-N 2.59Å; W399-C402 HydrophobicContact CB-CB 3.96Å; W399-C402 WeakPolarHBondContact O-CA 3.43Å; W399-C402 WeakPolarHBondContact O-CB 3.4Å; W399-C402 PolarHBondContact O-N 3.11Å; W399-F416 HydrophobicContact CB-CE2 4.48Å; W399-F416 AromaticContact CE3-CE2 3.85Å; W399-F416 HydrophobicContact CE3-CE2 3.85Å; W399-F416 AromaticContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CZ3-CZ 4.21Å; W399-H419 AromaticContact CD1-ND1 3.98Å; W399-H419 HydrophobicContact CD2-CB 3.47Å; W399-H419 VanDerWaalsContact CD2-CB 3.47Å; W399-H419 AromaticContact CD2-CD2 3.98Å; W399-H419 AromaticContact CD2-CG 3.69Å; W399-H419 HydrophobicContact CE3-CB 3.5Å; W399-H419 VanDerWaalsContact CE3-CB 3.5Å; W399-H419 HydrophobicContact CG-CB 4.04Å; W399-H419 AromaticContact CG-CD2 3.67Å; W399-H419 AromaticContact CG-CG 3.68Å; W399-H419 HydrophobicContact CH2-CB 3.96Å; W399-H419 HydrophobicContact CZ2-CB 3.94Å; W399-H419 HydrophobicContact CZ3-CB 3.75Å; W399-T420 HydrophobicContact CZ3-CG2 3.98Å |
| 400 | E | 92.9 | Very high | 91.5 | Very high | 184 Ų | 184 | 80.5 Ų | 80.5 | 86% | 0.86 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 137.9 | -174.7 | -61.4 | -167.4 | 149.8 | 0 | 0 | 112.2 | C402 | E400-C402 PolarHBondContact O-N 3.23Å; E400-C402 VanDerWaalsContact O-N 3.14Å |
| 401 | G | 91.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 79 Ų | 79 | 95% | 0.948 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W399 G403 | W399-G401 PolarHBondContact O-N 2.59Å; G401-G403 PolarHBondContact O-N 3.44Å |
| 402 | C | 91.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 77.9 Ų | 77.9 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | trans | -95.8 | 84.9 | -174.1 | -159.5 | 0 | 0 | 0 | 0 | 113.8 | C397 W399 E400 W404 H415 H419 | C397-C402 HydrophobicContact CB-CB 4.26Å; W399-C402 HydrophobicContact CB-CB 3.96Å; W399-C402 WeakPolarHBondContact O-CA 3.43Å; W399-C402 WeakPolarHBondContact O-CB 3.4Å; W399-C402 PolarHBondContact O-N 3.11Å; E400-C402 PolarHBondContact O-N 3.23Å; E400-C402 VanDerWaalsContact O-N 3.14Å; C402-W404 PolarHBondContact O-N 3.07Å; C402-W404 VanDerWaalsContact SG-CD1 3.57Å; C402-H415 PolarHBondContact SG-NE2 3.08Å; C402-H419 VanDerWaalsContact CB-NE2 3.28Å; C402-H419 WeakPolarHBondContact CB-NE2 3.29Å; C402-H419 PolarHBondContact SG-CE1 3.43Å; C402-H419 PolarHBondContact SG-NE2 3.03Å | ||
| 403 | G | 91.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 41% | 0.409 | S | S | * | . | trans | -68.1 | 17 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117 | G401 | G401-G403 PolarHBondContact O-N 3.44Š| ||
| 404 | W | 94.4 | Very high | 92.5 | Very high | 165 Ų | 165 | 76.4 Ų | 76.4 | 63% | 0.625 | 40% | 0.403 | S | S | * | . | trans | -78.7 | 136.9 | -173.3 | -78.9 | 74.2 | 0 | 0 | 0 | 113.1 | C397 C402 F406 H415 | C397-W404 HydrophobicContact CB-CB 4.48Å; C397-W404 PolarHBondContact N-O 3.13Å; C402-W404 PolarHBondContact O-N 3.07Å; C402-W404 VanDerWaalsContact SG-CD1 3.57Å; W404-F406 HydrophobicContact CB-CE2 3.83Å; W404-F406 HydrophobicContact CB-CZ 3.82Å; W404-F406 HydrophobicContact CE3-CE1 4.2Å; W404-F406 AromaticContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CG-CZ 4.49Å; W404-H415 AromaticContact CG-CE1 3.8Å | ||
| 405 | K | 93.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 75.4 Ų | 75.4 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.8 | -177.4 | -54.3 | -174 | 173.8 | -165.8 | 0 | 111.4 | K393 Y395 | K393-K405 HydrophobicContact CB-CB 3.73Å; K393-K405 HydrophobicContact CD-CB 4.13Å; K393-K405 WeakPolarHBondContact CD-O 3.44Å; Y395-K405 CarbonylContact O-C 3.55Å; Y395-K405 WeakPolarHBondContact O-CA 3.38Å |
| 406 | F | 92.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 76.5 Ų | 76.5 | 11% | 0.114 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | -169.3 | -57.2 | -80.9 | 0 | 0 | 0 | 112.7 | K393 Y395 W404 E411 L412 H415 | K393-F406 CarbonylContact C-O 3.15Å; K393-F406 WeakPolarHBondContact CA-O 3.24Å; Y395-F406 PolarHBondContact N-O 2.87Å; Y395-F406 PolarHBondContact O-N 2.84Å; W404-F406 HydrophobicContact CB-CE2 3.83Å; W404-F406 HydrophobicContact CB-CZ 3.82Å; W404-F406 HydrophobicContact CE3-CE1 4.2Å; W404-F406 AromaticContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CG-CZ 4.49Å; F406-E411 HydrophobicContact CB-CB 3.92Å; F406-E411 HydrophobicContact CD1-CB 3.84Å; F406-E411 HydrophobicContact CG-CB 4.09Å; F406-L412 HydrophobicContact CB-CB 4.45Å; F406-L412 HydrophobicContact CD2-CB 3.93Å; F406-L412 HydrophobicContact CD2-CD1 3.99Å; F406-L412 HydrophobicContact CE2-CD1 4.15Å; F406-L412 HydrophobicContact CG-CB 4.38Å; F406-H415 HydrophobicContact CE1-CB 4.08Å; F406-H415 HydrophobicContact CE2-CB 3.84Å; F406-H415 AromaticContact CE2-CD2 3.49Å; F406-H415 VanDerWaalsContact CE2-CD2 3.49Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.38Å; F406-H415 AromaticContact CE2-CG 3.61Å; F406-H415 HydrophobicContact CZ-CB 3.47Å; F406-H415 VanDerWaalsContact CZ-CB 3.47Å; F406-H415 AromaticContact CZ-CD2 3.65Å; F406-H415 AromaticContact CZ-CG 3.29Å; F406-H415 AromaticContact CZ-ND1 3.58Å |
| 407 | A | 90.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 13% | 0.132 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -88 | -15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R387 Y395 E411 | R387-A407 HydrophobicContact CB-CB 4.1Å; R387-A407 VanDerWaalsContact CD-O 3.29Å; R387-A407 WeakPolarHBondContact CD-O 3.46Å; R387-A407 PolarHBondContact NH1-O 2.98Å; Y395-A407 WeakPolarHBondContact CE2-O 3.47Å; A407-E411 PolarHBondContact N-OE2 3.32Å; A407-E411 VanDerWaalsContact N-OE2 3.12Å |
| 408 | R | 89.1 | Confident | 92.6 | Very high | 109 Ų | 109 | 83 Ų | 83 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -134.6 | 153.2 | 179 | -58.8 | 161.2 | 49.8 | 149.5 | -6.2 | 111.9 | A384 D410 E411 L412 | A384-R408 HydrophobicContact CB-CG 4.34Å; R408-D410 VanDerWaalsContact CB-OD1 3.22Å; R408-D410 WeakPolarHBondContact CB-OD1 3.47Å; R408-D410 IonicContact CZ-OD1 3.35Å; R408-D410 IonicContact CZ-OD2 3.57Å; R408-D410 IonicContact NE-OD1 2.78Å; R408-D410 PolarHBondContact NE-OD1 3.16Å; R408-D410 IonicContact NE-OD2 3.68Å; R408-D410 VanDerWaalsContact NH2-CG 3.26Å; R408-D410 IonicContact NH2-OD1 3.08Å; R408-D410 PolarHBondContact NH2-OD1 3.15Å; R408-D410 VanDerWaalsContact NH2-OD1 3.08Å; R408-D410 IonicContact NH2-OD2 2.73Å; R408-D410 PolarHBondContact NH2-OD2 3.4Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 HydrophobicContact CB-CG 3.97Å; R408-E411 PolarHBondContact N-OE2 3.12Å; R408-E411 VanDerWaalsContact N-OE2 3.1Å; R408-E411 WeakPolarHBondContact O-CB 3.27Å; R408-E411 PolarHBondContact O-N 3.38Å; R408-L412 PolarHBondContact O-N 2.95Å |
| 409 | S | 91.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 44% | 0.441 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.6 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | E411 L412 T413 | S409-E411 PolarHBondContact O-N 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.41Å; S409-L412 PolarHBondContact O-N 3.24Å; S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.39Å |
| 410 | D | 90.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -24.6 | 179.5 | 68 | -58.5 | 0 | 0 | 0 | 113.3 | R408 R414 | R408-D410 VanDerWaalsContact CB-OD1 3.22Å; R408-D410 WeakPolarHBondContact CB-OD1 3.47Å; R408-D410 IonicContact CZ-OD1 3.35Å; R408-D410 IonicContact CZ-OD2 3.57Å; R408-D410 IonicContact NE-OD1 2.78Å; R408-D410 PolarHBondContact NE-OD1 3.16Å; R408-D410 IonicContact NE-OD2 3.68Å; R408-D410 VanDerWaalsContact NH2-CG 3.26Å; R408-D410 IonicContact NH2-OD1 3.08Å; R408-D410 PolarHBondContact NH2-OD1 3.15Å; R408-D410 VanDerWaalsContact NH2-OD1 3.08Å; R408-D410 IonicContact NH2-OD2 2.73Å; R408-D410 PolarHBondContact NH2-OD2 3.4Å; D410-R414 WeakPolarHBondContact O-CB 3.36Å; D410-R414 PolarHBondContact O-N 2.82Å; D410-R414 VanDerWaalsContact O-N 3.11Å |
| 411 | E | 93.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 72.2 Ų | 72.2 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -43.8 | 170 | -64.6 | 172.8 | 157.8 | 0 | 0 | 111.4 | F406 A407 R408 S409 H415 | F406-E411 HydrophobicContact CB-CB 3.92Å; F406-E411 HydrophobicContact CD1-CB 3.84Å; F406-E411 HydrophobicContact CG-CB 4.09Å; A407-E411 PolarHBondContact N-OE2 3.32Å; A407-E411 VanDerWaalsContact N-OE2 3.12Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 HydrophobicContact CB-CG 3.97Å; R408-E411 PolarHBondContact N-OE2 3.12Å; R408-E411 VanDerWaalsContact N-OE2 3.1Å; R408-E411 WeakPolarHBondContact O-CB 3.27Å; R408-E411 PolarHBondContact O-N 3.38Å; S409-E411 PolarHBondContact O-N 3.25Å; E411-H415 WeakPolarHBondContact O-CB 3.4Å; E411-H415 PolarHBondContact O-N 3.46Å |
| 412 | L | 95 | Very high | 92.6 | Very high | 29 Ų | 29 | 71.8 Ų | 71.8 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -49.8 | 174.9 | 171.4 | 60.8 | 0 | 0 | 0 | 111.3 | H396 C397 F406 R408 S409 R414 H415 F416 | H396-L412 WeakPolarHBondContact O-CD1 3.44Å; H396-L412 VanDerWaalsContact O-CD2 3.24Å; H396-L412 WeakPolarHBondContact O-CD2 3.45Å; C397-L412 HydrophobicContact CB-CD1 4.18Å; F406-L412 HydrophobicContact CB-CB 4.45Å; F406-L412 HydrophobicContact CD2-CB 3.93Å; F406-L412 HydrophobicContact CD2-CD1 3.99Å; F406-L412 HydrophobicContact CE2-CD1 4.15Å; F406-L412 HydrophobicContact CG-CB 4.38Å; R408-L412 PolarHBondContact O-N 2.95Å; S409-L412 WeakPolarHBondContact O-CB 3.41Å; S409-L412 PolarHBondContact O-N 3.24Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-H415 CarbonylContact O-C 3.52Å; L412-H415 WeakPolarHBondContact O-CA 3.37Å; L412-H415 WeakPolarHBondContact O-CB 3.2Å; L412-H415 PolarHBondContact O-N 3.08Å; L412-F416 PolarHBondContact O-N 3.37Å |
| 413 | T | 93.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 77.7 Ų | 77.7 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 177.9 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | S409 H415 F416 R417 | S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.39Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.39Å; T413-F416 PolarHBondContact O-N 3.07Å; T413-R417 PolarHBondContact O-N 2.87Å |
| 414 | R | 92.8 | Very high | 92.7 | Very high | 108 Ų | 108 | 76.7 Ų | 76.7 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -33.1 | 175.3 | -179.4 | -176.4 | 63 | -168.9 | -5.9 | 112.7 | D410 L412 R436 | D410-R414 WeakPolarHBondContact O-CB 3.36Å; D410-R414 PolarHBondContact O-N 2.82Å; D410-R414 VanDerWaalsContact O-N 3.11Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-R436 HydrophobicContact CG-CG 4.34Å |
| 415 | H | 94.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 72 Ų | 72 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.9 | -41.6 | 173.7 | 166.1 | 82 | 0 | 0 | 0 | 111.7 | C397 C402 W404 F406 E411 L412 T413 R417 K418 H419 | C397-H415 PolarHBondContact SG-NE2 3.3Å; C397-H415 VanDerWaalsContact SG-NE2 3.42Å; C402-H415 PolarHBondContact SG-NE2 3.08Å; W404-H415 AromaticContact CG-CE1 3.8Å; F406-H415 HydrophobicContact CE1-CB 4.08Å; F406-H415 HydrophobicContact CE2-CB 3.84Å; F406-H415 AromaticContact CE2-CD2 3.49Å; F406-H415 VanDerWaalsContact CE2-CD2 3.49Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.38Å; F406-H415 AromaticContact CE2-CG 3.61Å; F406-H415 HydrophobicContact CZ-CB 3.47Å; F406-H415 VanDerWaalsContact CZ-CB 3.47Å; F406-H415 AromaticContact CZ-CD2 3.65Å; F406-H415 AromaticContact CZ-CG 3.29Å; F406-H415 AromaticContact CZ-ND1 3.58Å; E411-H415 WeakPolarHBondContact O-CB 3.4Å; E411-H415 PolarHBondContact O-N 3.46Å; L412-H415 CarbonylContact O-C 3.52Å; L412-H415 WeakPolarHBondContact O-CA 3.37Å; L412-H415 WeakPolarHBondContact O-CB 3.2Å; L412-H415 PolarHBondContact O-N 3.08Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.39Å; H415-R417 PolarHBondContact O-N 2.81Å; H415-K418 WeakPolarHBondContact O-CB 3.38Å; H415-K418 WeakPolarHBondContact O-CG 3.27Å; H415-K418 PolarHBondContact O-N 2.77Å; H415-H419 AromaticContact CD2-NE2 3.35Å; H415-H419 PolarHBondContact CD2-NE2 3.39Å; H415-H419 VanDerWaalsContact CD2-NE2 3.35Å; H415-H419 AromaticContact CE1-NE2 3.22Å; H415-H419 PolarHBondContact CE1-NE2 2.95Å; H415-H419 AromaticContact NE2-NE2 2.47Å; H415-H419 PolarHBondContact NE2-NE2 3.02Å |
| 416 | F | 93.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 73.3 Ų | 73.3 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.8 | -33.1 | -179.4 | -159.2 | -102.9 | 0 | 0 | 0 | 112.7 | W399 L412 T413 K418 H419 T420 | W399-F416 HydrophobicContact CB-CE2 4.48Å; W399-F416 AromaticContact CE3-CE2 3.85Å; W399-F416 HydrophobicContact CE3-CE2 3.85Å; W399-F416 AromaticContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CZ3-CZ 4.21Å; L412-F416 PolarHBondContact O-N 3.37Å; T413-F416 PolarHBondContact O-N 3.07Å; F416-K418 PolarHBondContact O-N 3.35Å; F416-K418 VanDerWaalsContact O-N 3.1Å; F416-H419 PolarHBondContact O-N 3.09Å; F416-T420 HydrophobicContact CD1-CG2 3.9Å; F416-T420 HydrophobicContact CE1-CG2 3.61Å; F416-T420 HydrophobicContact CZ-CG2 4.4Å; F416-T420 PolarHBondContact O-N 2.97Å; F416-T420 VanDerWaalsContact O-N 3.16Å; F416-T420 PolarHBondContact O-OG1 2.73Å |
| 417 | R | 94.6 | Very high | 93 | Very high | 64 Ų | 64 | 72.3 Ų | 72.3 | 24% | 0.242 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.2 | -15.4 | 169.9 | -68.4 | -178.3 | -173.2 | 162.4 | 4.5 | 115 | T413 H415 G421 H422 S435 | T413-R417 PolarHBondContact O-N 2.87Å; H415-R417 PolarHBondContact O-N 2.81Å; R417-G421 CarbonylContact O-C 3.59Å; R417-G421 WeakPolarHBondContact O-CA 3.44Å; R417-G421 PolarHBondContact O-N 2.77Å; R417-H422 HydrophobicContact CG-CB 4.29Å; R417-H422 PolarHBondContact O-N 3.03Å; R417-S435 PolarHBondContact NH1-O 2.81Å |
| 418 | K | 92.1 | Very high | 93.3 | Very high | 171 Ų | 171 | 78.9 Ų | 78.9 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.8 | -38.3 | 170.1 | -66 | -169 | 165.5 | -155.8 | 0 | 112 | H415 F416 | H415-K418 WeakPolarHBondContact O-CB 3.38Å; H415-K418 WeakPolarHBondContact O-CG 3.27Å; H415-K418 PolarHBondContact O-N 2.77Å; F416-K418 PolarHBondContact O-N 3.35Å; F416-K418 VanDerWaalsContact O-N 3.1Å |
| 419 | H | 92.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 78.3 Ų | 78.3 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -76 | -45.4 | -179 | -59.3 | -48.6 | 0 | 0 | 0 | 111.6 | C397 W399 C402 H415 F416 G421 | C397-H419 PolarHBondContact SG-NE2 3.2Å; W399-H419 AromaticContact CD1-ND1 3.98Å; W399-H419 HydrophobicContact CD2-CB 3.47Å; W399-H419 VanDerWaalsContact CD2-CB 3.47Å; W399-H419 AromaticContact CD2-CD2 3.98Å; W399-H419 AromaticContact CD2-CG 3.69Å; W399-H419 HydrophobicContact CE3-CB 3.5Å; W399-H419 VanDerWaalsContact CE3-CB 3.5Å; W399-H419 HydrophobicContact CG-CB 4.04Å; W399-H419 AromaticContact CG-CD2 3.67Å; W399-H419 AromaticContact CG-CG 3.68Å; W399-H419 HydrophobicContact CH2-CB 3.96Å; W399-H419 HydrophobicContact CZ2-CB 3.94Å; W399-H419 HydrophobicContact CZ3-CB 3.75Å; C402-H419 VanDerWaalsContact CB-NE2 3.28Å; C402-H419 WeakPolarHBondContact CB-NE2 3.29Å; C402-H419 PolarHBondContact SG-CE1 3.43Å; C402-H419 PolarHBondContact SG-NE2 3.03Å; H415-H419 AromaticContact CD2-NE2 3.35Å; H415-H419 PolarHBondContact CD2-NE2 3.39Å; H415-H419 VanDerWaalsContact CD2-NE2 3.35Å; H415-H419 AromaticContact CE1-NE2 3.22Å; H415-H419 PolarHBondContact CE1-NE2 2.95Å; H415-H419 AromaticContact NE2-NE2 2.47Å; H415-H419 PolarHBondContact NE2-NE2 3.02Å; F416-H419 PolarHBondContact O-N 3.09Å; H419-G421 VanDerWaalsContact C-N 3.28Å; H419-G421 PolarHBondContact O-N 3.41Å |
| 420 | T | 92.4 | Very high | 93.8 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 42% | 0.423 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -80.5 | -5.3 | 179 | 60.2 | 0 | 0 | 0 | 0 | 114 | W399 F416 H422 | W399-T420 HydrophobicContact CZ3-CG2 3.98Å; F416-T420 HydrophobicContact CD1-CG2 3.9Å; F416-T420 HydrophobicContact CE1-CG2 3.61Å; F416-T420 HydrophobicContact CZ-CG2 4.4Å; F416-T420 PolarHBondContact O-N 2.97Å; F416-T420 VanDerWaalsContact O-N 3.16Å; F416-T420 PolarHBondContact O-OG1 2.73Å; T420-H422 PolarHBondContact O-N 2.93Å; T420-H422 WeakPolarHBondContact OG1-CB 3.26Å |
| 421 | G | 91.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 82.7 Ų | 82.7 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | trans | 62 | 8.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R417 H419 R423 | R417-G421 CarbonylContact O-C 3.59Å; R417-G421 WeakPolarHBondContact O-CA 3.44Å; R417-G421 PolarHBondContact O-N 2.77Å; H419-G421 VanDerWaalsContact C-N 3.28Å; H419-G421 PolarHBondContact O-N 3.41Å; G421-R423 WeakPolarHBondContact O-CG 3.5Å; G421-R423 PolarHBondContact O-N 3.42Å | ||
| 422 | H | 93.1 | Very high | 94 | Very high | 83 Ų | 83 | 86 Ų | 86 | 38% | 0.384 | 41% | 0.414 | S | S | . | . | trans | -67.6 | 120.3 | -167.2 | 179.3 | -162.6 | 0 | 0 | 0 | 112.9 | R417 T420 P424 | R417-H422 HydrophobicContact CG-CB 4.29Å; R417-H422 PolarHBondContact O-N 3.03Å; T420-H422 PolarHBondContact O-N 2.93Å; T420-H422 WeakPolarHBondContact OG1-CB 3.26Å; H422-P424 WeakPolarHBondContact O-CD 3.13Å | ||
| 423 | R | 93.3 | Very high | 94 | Very high | 137 Ų | 137 | 85.8 Ų | 85.8 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | trans | -123 | 71.3 | -173.9 | -69.5 | 160.7 | 84.6 | 140.4 | 7.4 | 112.4 | G421 F425 A433 F434 | G421-R423 WeakPolarHBondContact O-CG 3.5Å; G421-R423 PolarHBondContact O-N 3.42Å; R423-F425 PolarHBondContact O-N 3.43Å; R423-F425 VanDerWaalsContact O-N 3.12Å; R423-A433 HydrophobicContact CB-CB 3.84Å; R423-A433 VanDerWaalsContact CZ-O 3.25Å; R423-A433 PolarHBondContact NE-O 3.32Å; R423-A433 PolarHBondContact NH2-O 3.45Å; R423-F434 CarbonylContact C-O 3.52Å; R423-F434 VanDerWaalsContact CA-O 3.28Å; R423-F434 WeakPolarHBondContact CA-O 3.34Å | ||
| 424 | P | 92.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 83.9 Ų | 83.9 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | trans | -71.3 | -3.6 | -172.7 | 27.4 | -33.9 | 0 | 0 | 0 | 115.5 | H422 | H422-P424 WeakPolarHBondContact O-CD 3.13Š| ||
| 425 | F | 95.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 80.5 Ų | 80.5 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 86.5 | -177.9 | -57.6 | -75.8 | 0 | 0 | 0 | 110.8 | R423 A433 F434 R436 L440 | R423-F425 PolarHBondContact O-N 3.43Å; R423-F425 VanDerWaalsContact O-N 3.12Å; F425-A433 CarbonylContact O-C 3.4Å; F425-A433 WeakPolarHBondContact O-CA 3.28Å; F425-F434 HydrophobicContact CB-CB 4.3Å; F425-F434 WeakPolarHBondContact CB-O 3.4Å; F425-F434 PolarHBondContact N-O 3.07Å; F425-F434 WeakPolarHBondContact O-CD2 3.08Å; F425-F434 PolarHBondContact O-N 3.25Å; F425-R436 VanDerWaalsContact CD2-CA 3.5Å; F425-L440 HydrophobicContact CB-CB 4.17Å; F425-L440 HydrophobicContact CB-CD2 3.92Å |
| 426 | Q | 95.7 | Very high | 94.1 | Very high | 134 Ų | 134 | 82.9 Ų | 82.9 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143 | 176.4 | -161.4 | 172.8 | -0.1 | 0 | 0 | 111.8 | A433 L440 | Q426-A433 HydrophobicContact CG-CB 4.49Å; Q426-L440 WeakPolarHBondContact O-CD2 3.42Å |
| 427 | C | 96.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 82.3 Ų | 82.3 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | trans | -78.8 | 141.9 | 167 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | L429 C430 R432 L440 H447 | C427-L429 PolarHBondContact SG-N 3.25Å; C427-L429 VanDerWaalsContact SG-N 3.4Å; C427-C430 CarbonylContact C-O 3.52Å; C427-C430 WeakPolarHBondContact CB-O 3.46Å; C427-R432 WeakPolarHBondContact CB-O 3.46Å; C427-R432 PolarHBondContact N-O 3.02Å; C427-L440 HydrophobicContact CB-CD1 3.79Å; C427-H447 PolarHBondContact SG-NE2 3.14Å; C427-H447 VanDerWaalsContact SG-NE2 3.44Å | ||
| 428 | H | 94.9 | Very high | 94.2 | Very high | 153 Ų | 153 | 82.4 Ų | 82.4 | 71% | 0.708 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -92.4 | -5 | 177.4 | 59.1 | -93.7 | 0 | 0 | 0 | 113.5 | M444 | H428-M444 VanDerWaalsContact CE1-CE 3.44Å; H428-M444 WeakPolarHBondContact CE1-CE 3.45Å |
| 429 | L | 95.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 79.1 Ų | 79.1 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -106.2 | -11.4 | 177.9 | -57.9 | 179 | 0 | 0 | 0 | 113.1 | C427 M444 H447 | C427-L429 PolarHBondContact SG-N 3.25Å; C427-L429 VanDerWaalsContact SG-N 3.4Å; L429-M444 HydrophobicContact CD1-CE 3.6Å; L429-M444 HydrophobicContact CG-CE 4.06Å; L429-H447 HydrophobicContact CD1-CB 3.52Å |
| 430 | C | 95.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 29% | 0.291 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -161.3 | 162.6 | 170.4 | 71.4 | 0 | 0 | 0 | 0 | 109.9 | C427 R432 H443 | C427-C430 CarbonylContact C-O 3.52Å; C427-C430 WeakPolarHBondContact CB-O 3.46Å; C430-R432 PolarHBondContact O-N 3.44Å; C430-H443 PolarHBondContact SG-NE2 3.46Å |
| 431 | E | 93.9 | Very high | 94.8 | Very high | 184 Ų | 184 | 76.7 Ų | 76.7 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -67.4 | 5.2 | -172.9 | -61.8 | 169.1 | 179.2 | 0 | 0 | 115.4 | A433 | E431-A433 PolarHBondContact O-N 2.77Š|
| 432 | R | 94.8 | Very high | 95 | Very high | 120 Ų | 120 | 79.4 Ų | 79.4 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | trans | -74.7 | 115.9 | -176.5 | -68.3 | -176.9 | 171 | -174.8 | -3.1 | 111.8 | C427 C430 F434 | C427-R432 WeakPolarHBondContact CB-O 3.46Å; C427-R432 PolarHBondContact N-O 3.02Å; C430-R432 PolarHBondContact O-N 3.44Å; R432-F434 HydrophobicContact CB-CE2 3.86Å; R432-F434 HydrophobicContact CB-CZ 3.96Å; R432-F434 VanDerWaalsContact O-CE2 3.26Å; R432-F434 WeakPolarHBondContact O-CE2 3.44Å | ||
| 433 | A | 95.5 | Very high | 95.1 | Very high | 24 Ų | 24 | 76 Ų | 76 | 20% | 0.198 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 153.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R423 F425 Q426 E431 | R423-A433 HydrophobicContact CB-CB 3.84Å; R423-A433 VanDerWaalsContact CZ-O 3.25Å; R423-A433 PolarHBondContact NE-O 3.32Å; R423-A433 PolarHBondContact NH2-O 3.45Å; F425-A433 CarbonylContact O-C 3.4Å; F425-A433 WeakPolarHBondContact O-CA 3.28Å; Q426-A433 HydrophobicContact CG-CB 4.49Å; E431-A433 PolarHBondContact O-N 2.77Å |
| 434 | F | 94.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.7 | -176.2 | -59.2 | -90.7 | 0 | 0 | 0 | 111.8 | R423 F425 R432 R436 H439 L440 H443 | R423-F434 CarbonylContact C-O 3.52Å; R423-F434 VanDerWaalsContact CA-O 3.28Å; R423-F434 WeakPolarHBondContact CA-O 3.34Å; F425-F434 HydrophobicContact CB-CB 4.3Å; F425-F434 WeakPolarHBondContact CB-O 3.4Å; F425-F434 PolarHBondContact N-O 3.07Å; F425-F434 WeakPolarHBondContact O-CD2 3.08Å; F425-F434 PolarHBondContact O-N 3.25Å; R432-F434 HydrophobicContact CB-CE2 3.86Å; R432-F434 HydrophobicContact CB-CZ 3.96Å; R432-F434 VanDerWaalsContact O-CE2 3.26Å; R432-F434 WeakPolarHBondContact O-CE2 3.44Å; F434-R436 VanDerWaalsContact C-N 3.28Å; F434-R436 PolarHBondContact O-N 3.01Å; F434-H439 HydrophobicContact CB-CB 4.19Å; F434-H439 HydrophobicContact CD1-CB 3.88Å; F434-H439 HydrophobicContact CG-CB 4.29Å; F434-L440 HydrophobicContact CB-CB 4.41Å; F434-L440 HydrophobicContact CD2-CB 3.97Å; F434-L440 HydrophobicContact CD2-CD1 3.94Å; F434-L440 HydrophobicContact CE2-CD1 4.08Å; F434-L440 HydrophobicContact CG-CB 4.33Å; F434-H443 HydrophobicContact CE1-CB 4.12Å; F434-H443 HydrophobicContact CE2-CB 3.97Å; F434-H443 AromaticContact CE2-CD2 3.27Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.32Å; F434-H443 AromaticContact CE2-CG 3.77Å; F434-H443 HydrophobicContact CZ-CB 3.54Å; F434-H443 AromaticContact CZ-CD2 3.38Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.41Å; F434-H443 AromaticContact CZ-CG 3.41Å; F434-H443 VanDerWaalsContact CZ-CG 3.41Å |
| 435 | S | 94 | Very high | 95.4 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -80.3 | -8 | 176.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | R417 | R417-S435 PolarHBondContact NH1-O 2.81Š|
| 436 | R | 94.2 | Very high | 95.4 | Very high | 68 Ų | 68 | 81.6 Ų | 81.6 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -141.7 | 145.3 | -179.4 | -57.9 | 159.7 | 56.1 | 157 | -3.6 | 111.8 | R414 F425 F434 D438 H439 L440 | R414-R436 HydrophobicContact CG-CG 4.34Å; F425-R436 VanDerWaalsContact CD2-CA 3.5Å; F434-R436 VanDerWaalsContact C-N 3.28Å; F434-R436 PolarHBondContact O-N 3.01Å; R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.53Å; R436-D438 IonicContact CZ-OD2 3.53Å; R436-D438 IonicContact NE-OD1 2.85Å; R436-D438 PolarHBondContact NE-OD1 2.96Å; R436-D438 IonicContact NE-OD2 3.66Å; R436-D438 IonicContact NH2-OD1 3.4Å; R436-D438 PolarHBondContact NH2-OD1 2.79Å; R436-D438 IonicContact NH2-OD2 2.67Å; R436-D438 PolarHBondContact NH2-OD2 3.15Å; R436-H439 HydrophobicContact CB-CB 4.33Å; R436-H439 PolarHBondContact NH1-NE2 3.48Å; R436-H439 VanDerWaalsContact NH1-NE2 3.19Å; R436-H439 PolarHBondContact NH2-NE2 3.14Å; R436-H439 PolarHBondContact O-N 3.16Å; R436-L440 PolarHBondContact O-N 2.99Å |
| 437 | S | 95.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 78.7 Ų | 78.7 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.7 | -30.9 | 178.9 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | H439 L440 A441 | S437-H439 VanDerWaalsContact C-N 3.34Å; S437-L440 PolarHBondContact O-N 3.15Å; S437-A441 WeakPolarHBondContact O-CB 3.4Å; S437-A441 PolarHBondContact O-N 3.09Å |
| 438 | D | 95.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 88.7 Ų | 88.7 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.6 | -32.4 | 176.6 | 68.4 | -41.1 | 0 | 0 | 0 | 112.1 | R436 A441 L442 | R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.53Å; R436-D438 IonicContact CZ-OD2 3.53Å; R436-D438 IonicContact NE-OD1 2.85Å; R436-D438 PolarHBondContact NE-OD1 2.96Å; R436-D438 IonicContact NE-OD2 3.66Å; R436-D438 IonicContact NH2-OD1 3.4Å; R436-D438 PolarHBondContact NH2-OD1 2.79Å; R436-D438 IonicContact NH2-OD2 2.67Å; R436-D438 PolarHBondContact NH2-OD2 3.15Å; D438-A441 PolarHBondContact O-N 3.32Å; D438-L442 WeakPolarHBondContact O-CG 3.49Å; D438-L442 PolarHBondContact O-N 3.4Å |
| 439 | H | 95.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 85.5 Ų | 85.5 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 171.1 | -71.8 | -156.2 | 0 | 0 | 0 | 111.3 | F434 R436 S437 L442 H443 | F434-H439 HydrophobicContact CB-CB 4.19Å; F434-H439 HydrophobicContact CD1-CB 3.88Å; F434-H439 HydrophobicContact CG-CB 4.29Å; R436-H439 HydrophobicContact CB-CB 4.33Å; R436-H439 PolarHBondContact NH1-NE2 3.48Å; R436-H439 VanDerWaalsContact NH1-NE2 3.19Å; R436-H439 PolarHBondContact NH2-NE2 3.14Å; R436-H439 PolarHBondContact O-N 3.16Å; S437-H439 VanDerWaalsContact C-N 3.34Å; H439-L442 PolarHBondContact O-N 2.98Å; H439-H443 WeakPolarHBondContact O-CB 3.33Å; H439-H443 PolarHBondContact O-N 3.12Å |
| 440 | L | 96.4 | Very high | 94.7 | Very high | 29 Ų | 29 | 84.8 Ų | 84.8 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 171.7 | 174.4 | 59.8 | 0 | 0 | 0 | 111.3 | F425 Q426 C427 F434 R436 S437 L442 H443 M444 | F425-L440 HydrophobicContact CB-CB 4.17Å; F425-L440 HydrophobicContact CB-CD2 3.92Å; Q426-L440 WeakPolarHBondContact O-CD2 3.42Å; C427-L440 HydrophobicContact CB-CD1 3.79Å; F434-L440 HydrophobicContact CB-CB 4.41Å; F434-L440 HydrophobicContact CD2-CB 3.97Å; F434-L440 HydrophobicContact CD2-CD1 3.94Å; F434-L440 HydrophobicContact CE2-CD1 4.08Å; F434-L440 HydrophobicContact CG-CB 4.33Å; R436-L440 PolarHBondContact O-N 2.99Å; S437-L440 PolarHBondContact O-N 3.15Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.73Å; L440-H443 CarbonylContact O-C 3.55Å; L440-H443 WeakPolarHBondContact O-CA 3.32Å; L440-H443 WeakPolarHBondContact O-CB 3.47Å; L440-H443 PolarHBondContact O-N 3.26Å; L440-M444 HydrophobicContact CD1-CG 4.17Å; L440-M444 HydrophobicContact CD1-SD 3.98Å; L440-M444 HydrophobicContact CG-CG 4.42Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 2.79Å |
| 441 | A | 96.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 87.1 Ų | 87.1 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -33.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S437 D438 | S437-A441 WeakPolarHBondContact O-CB 3.4Å; S437-A441 PolarHBondContact O-N 3.09Å; D438-A441 PolarHBondContact O-N 3.32Å |
| 442 | L | 96.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 81.4 Ų | 81.4 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.1 | -34.2 | 170.7 | -71.6 | 173.4 | 0 | 0 | 0 | 112.4 | D438 H439 L440 | D438-L442 WeakPolarHBondContact O-CG 3.49Å; D438-L442 PolarHBondContact O-N 3.4Å; H439-L442 PolarHBondContact O-N 2.98Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.73Å |
| 443 | H | 95.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.056 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 174 | 169.9 | 47.5 | 0 | 0 | 0 | 112.8 | C430 F434 H439 L440 K445 R446 H447 | C430-H443 PolarHBondContact SG-NE2 3.46Å; F434-H443 HydrophobicContact CE1-CB 4.12Å; F434-H443 HydrophobicContact CE2-CB 3.97Å; F434-H443 AromaticContact CE2-CD2 3.27Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.32Å; F434-H443 AromaticContact CE2-CG 3.77Å; F434-H443 HydrophobicContact CZ-CB 3.54Å; F434-H443 AromaticContact CZ-CD2 3.38Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.41Å; F434-H443 AromaticContact CZ-CG 3.41Å; F434-H443 VanDerWaalsContact CZ-CG 3.41Å; H439-H443 WeakPolarHBondContact O-CB 3.33Å; H439-H443 PolarHBondContact O-N 3.12Å; L440-H443 CarbonylContact O-C 3.55Å; L440-H443 WeakPolarHBondContact O-CA 3.32Å; L440-H443 WeakPolarHBondContact O-CB 3.47Å; L440-H443 PolarHBondContact O-N 3.26Å; H443-K445 PolarHBondContact O-N 2.87Å; H443-K445 VanDerWaalsContact O-N 3.16Å; H443-R446 VanDerWaalsContact O-CB 3.27Å; H443-R446 WeakPolarHBondContact O-CB 3.5Å; H443-R446 WeakPolarHBondContact O-CG 3.33Å; H443-R446 PolarHBondContact O-N 3.29Å; H443-H447 AromaticContact CE1-CD2 3.94Å; H443-H447 AromaticContact CE1-CE1 3.75Å; H443-H447 AromaticContact CE1-NE2 3.13Å; H443-H447 PolarHBondContact CE1-NE2 2.94Å; H443-H447 AromaticContact NE2-CD2 3.93Å; H443-H447 AromaticContact NE2-CE1 3.99Å; H443-H447 AromaticContact NE2-NE2 3.07Å; H443-H447 PolarHBondContact NE2-NE2 3.45Å |
| 444 | M | 95.7 | Very high | 94.6 | Very high | 37 Ų | 37 | 82.7 Ų | 82.7 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.8 | -32 | 178.8 | -69.2 | -52.3 | -57.6 | 0 | 0 | 112.6 | H428 L429 L440 R446 H447 | H428-M444 VanDerWaalsContact CE1-CE 3.44Å; H428-M444 WeakPolarHBondContact CE1-CE 3.45Å; L429-M444 HydrophobicContact CD1-CE 3.6Å; L429-M444 HydrophobicContact CG-CE 4.06Å; L440-M444 HydrophobicContact CD1-CG 4.17Å; L440-M444 HydrophobicContact CD1-SD 3.98Å; L440-M444 HydrophobicContact CG-CG 4.42Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 2.79Å; M444-R446 PolarHBondContact O-N 2.8Å; M444-H447 PolarHBondContact O-N 2.82Å |
| 445 | K | 95.9 | Very high | 94.6 | Very high | 141 Ų | 141 | 85.9 Ų | 85.9 | 61% | 0.613 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 0.6 | 173.6 | -58.5 | -177.9 | 179.9 | -174.7 | 0 | 114.9 | H443 | H443-K445 PolarHBondContact O-N 2.87Å; H443-K445 VanDerWaalsContact O-N 3.16Å |
| 446 | R | 94.4 | Very high | 94.6 | Very high | 192 Ų | 192 | 89.7 Ų | 89.7 | 73% | 0.725 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.2 | 175.3 | -52.1 | 176.4 | 71.1 | 161.7 | 4.3 | 111.9 | H443 M444 | H443-R446 VanDerWaalsContact O-CB 3.27Å; H443-R446 WeakPolarHBondContact O-CB 3.5Å; H443-R446 WeakPolarHBondContact O-CG 3.33Å; H443-R446 PolarHBondContact O-N 3.29Å; M444-R446 PolarHBondContact O-N 2.8Å |
| 447 | H | 91.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 91.5 Ų | 91.5 | 34% | 0.343 | 45% | 0.454 | S | S | . | . | trans | -114.9 | 17.9 | 171.5 | -54.2 | -65.8 | 0 | 0 | 0 | 111.3 | C427 L429 H443 M444 | C427-H447 PolarHBondContact SG-NE2 3.14Å; C427-H447 VanDerWaalsContact SG-NE2 3.44Å; L429-H447 HydrophobicContact CD1-CB 3.52Å; H443-H447 AromaticContact CE1-CD2 3.94Å; H443-H447 AromaticContact CE1-CE1 3.75Å; H443-H447 AromaticContact CE1-NE2 3.13Å; H443-H447 PolarHBondContact CE1-NE2 2.94Å; H443-H447 AromaticContact NE2-CD2 3.93Å; H443-H447 AromaticContact NE2-CE1 3.99Å; H443-H447 AromaticContact NE2-NE2 3.07Å; H443-H447 PolarHBondContact NE2-NE2 3.45Å; M444-H447 PolarHBondContact O-N 2.82Å | ||
| 448 | M | 87.2 | Confident | 94.6 | Very high | 215 Ų | 215 | 93.5 Ų | 93.5 | 100% | 1.059 | 45% | 0.451 | S | S | * | . | trans | -128.5 | 0 | 179.3 | -60.9 | -175.6 | 77.1 | 0 | 0 | 109.1 |
Retrieved 448 of 448 residues in 52.4 ms
(Link to these results)