| 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 | 37.7 | Very low | 44.1 | Very low | 249 Ų | 249 | 169.7 Ų | 169.7 | 100% | 1.227 | 90% | 0.902 | S | S | * | * | 0 | 121.6 | 0 | -67 | 176.9 | -176.3 | 0 | 0 | 106.4 | |||||
| 2 | A | 40.8 | Very low | 44.4 | Very low | 84 Ų | 84 | 167.1 Ų | 167.1 | 69% | 0.694 | 89% | 0.888 | S | S | * | * | cis | -164.2 | 159.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | D | 41.2 | Very low | 44.7 | Very low | 158 Ų | 158 | 170.2 Ų | 170.2 | 85% | 0.845 | 89% | 0.889 | S | S | * | * | trans | 74.5 | 96.2 | 152.3 | -54.3 | -19.1 | 0 | 0 | 0 | 121.1 | ||||
| 4 | R | 44.3 | Very low | 44.7 | Very low | 255 Ų | 255 | 175.1 Ų | 175.1 | 96% | 0.962 | 89% | 0.89 | S | S | * | * | trans | -146.8 | 88.3 | 145.9 | -116.2 | -173.8 | -179.5 | -176.1 | 0.9 | 109.4 | ||||
| 5 | E | 45.8 | Very low | 44.8 | Very low | 182 Ų | 182 | 175.2 Ų | 175.2 | 85% | 0.85 | 88% | 0.882 | S | S | * | * | trans | -147.8 | 150.5 | 167.8 | -131.1 | 176.2 | 178.9 | 0 | 0 | 109.4 | ||||
| 6 | N | 45 | Very low | 44.9 | Very low | 153 Ų | 153 | 172.4 Ų | 172.4 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | trans | 101.2 | 77.3 | 179.4 | -55.7 | -45.6 | 0 | 0 | 0 | 117.2 | ||||
| 7 | T | 46.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 171.8 Ų | 171.8 | 93% | 0.926 | 86% | 0.861 | S | S | * | * | trans | -157.4 | 100.8 | 137.7 | -27.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | A | 37.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 167.2 Ų | 167.2 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | 168.7 | 85 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | M | 48.6 | Very low | 46 | Very low | 191 Ų | 191 | 165.9 Ų | 165.9 | 94% | 0.941 | 83% | 0.833 | S | S | * | * | trans | -147.1 | 77.2 | 164.9 | -165.8 | -171.2 | -95.5 | 0 | 0 | 109.8 | ||||
| 10 | E | 48.2 | Very low | 46.4 | Very low | 191 Ų | 191 | 162.5 Ų | 162.5 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -165.5 | 59.4 | 159.1 | -145.6 | -175.5 | 159.8 | 0 | 0 | 114.6 | ||||
| 11 | V | 49.3 | Very low | 47.1 | Very low | 149 Ų | 149 | 161.5 Ų | 161.5 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -146.9 | 81.3 | 163.8 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 12 | D | 48.3 | Very low | 48.4 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -172.6 | 50.9 | 143.9 | -154.2 | 16.8 | 0 | 0 | 0 | 114.4 | ||
| 13 | K | 47.4 | Very low | 49.3 | Very low | 207 Ų | 207 | 155.7 Ų | 155.7 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -119.6 | 1.8 | 176.9 | -97.1 | -174.3 | 179.8 | 177.7 | 0 | 115.9 | ||
| 14 | R | 45.1 | Very low | 50.5 | Low | 239 Ų | 239 | 155.1 Ų | 155.1 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -102.4 | -8.6 | -176.1 | -82.1 | -167.9 | -174.8 | -158.2 | 3.6 | 116.2 | ||
| 15 | K | 46.4 | Very low | 51.6 | Low | 177 Ų | 177 | 146 Ų | 146 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92.3 | -15.8 | -178.1 | -84.1 | -176.9 | 175 | 178.6 | 0 | 116.1 | ||
| 16 | N | 46.6 | Very low | 52.3 | Low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -93.6 | -2.2 | -177.7 | -82.6 | -6.1 | 0 | 0 | 0 | 115.7 | V20 | N16-V20 WeakPolarHBondContact O-CG2 3.44Š|
| 17 | K | 47.8 | Very low | 53 | Low | 163 Ų | 163 | 141.1 Ų | 141.1 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -69.1 | -42 | -178.7 | -119.1 | -178.7 | 178.8 | -166.8 | 0 | 115.6 | F19 | K17-F19 PolarHBondContact O-N 3.01Å |
| 18 | P | 54.6 | Low | 53.8 | Low | 88 Ų | 88 | 138.8 Ų | 138.8 | 57% | 0.571 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -74.5 | -26.7 | -174.5 | 26.4 | -31 | 0 | 0 | 0 | 113.3 | Q22 | P18-Q22 PolarHBondContact O-N 3.05Å |
| 19 | F | 51.9 | Low | 54.9 | Low | 143 Ų | 143 | 138 Ų | 138 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75 | -37.3 | -179.4 | -164.3 | -101.5 | 0 | 0 | 0 | 112.2 | K17 Q22 V23 | K17-F19 PolarHBondContact O-N 3.01Å; F19-Q22 PolarHBondContact O-N 2.93Å; F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CZ-CG2 4.43Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.24Å; F19-V23 PolarHBondContact O-N 3.01Å |
| 20 | V | 55.7 | Low | 55.2 | Low | 97 Ų | 97 | 132.7 Ų | 132.7 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.6 | -35.4 | -179.8 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | N16 K24 | N16-V20 WeakPolarHBondContact O-CG2 3.44Å; V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 2.76Å; V20-K24 VanDerWaalsContact O-N 3.09Å |
| 21 | E | 61.4 | Low | 55.5 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.7 | -35.8 | 174.8 | -75.5 | -172.3 | 171.2 | 0 | 0 | 112.5 | K24 A25 | E21-K24 PolarHBondContact O-N 3.04Å; E21-A25 WeakPolarHBondContact O-CB 3.36Å; E21-A25 PolarHBondContact O-N 3.01Å |
| 22 | Q | 63.1 | Low | 55.6 | Low | 141 Ų | 141 | 126.5 Ų | 126.5 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65 | -42.3 | 174.5 | -111.7 | 177.7 | 17.1 | 0 | 0 | 112.4 | P18 F19 K24 L26 | P18-Q22 PolarHBondContact O-N 3.05Å; F19-Q22 PolarHBondContact O-N 2.93Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-L26 WeakPolarHBondContact O-CB 3.45Å; Q22-L26 PolarHBondContact O-N 2.69Å; Q22-L26 VanDerWaalsContact O-N 3.14Å |
| 23 | V | 61.6 | Low | 55.6 | Low | 71 Ų | 71 | 129 Ų | 129 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67 | -36.7 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F19 L26 L27 | F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CZ-CG2 4.43Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.24Å; F19-V23 PolarHBondContact O-N 3.01Å; V23-L26 PolarHBondContact O-N 2.75Å; V23-L27 PolarHBondContact O-N 3.13Å |
| 24 | K | 65.6 | Low | 55.4 | Low | 146 Ų | 146 | 123.8 Ų | 123.8 | 64% | 0.635 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.9 | -42.2 | 178.2 | -161.9 | 176.9 | -177.5 | -171.9 | 0 | 112.3 | V20 E21 Q22 L26 L27 D28 | V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 2.76Å; V20-K24 VanDerWaalsContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.04Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.16Å; K24-L27 PolarHBondContact O-N 3.23Å; K24-D28 PolarHBondContact O-N 3.07Å; K24-D28 VanDerWaalsContact O-N 3.09Å |
| 25 | A | 66.8 | Low | 55.3 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.6 | -34.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E21 D29 | E21-A25 WeakPolarHBondContact O-CB 3.36Å; E21-A25 PolarHBondContact O-N 3.01Å; A25-D29 PolarHBondContact O-N 2.69Å |
| 26 | L | 60.1 | Low | 55 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 64% | 0.644 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.1 | -31.7 | 178.5 | -152.3 | 138.2 | 0 | 0 | 0 | 112.1 | Q22 V23 K24 V30 | Q22-L26 WeakPolarHBondContact O-CB 3.45Å; Q22-L26 PolarHBondContact O-N 2.69Å; Q22-L26 VanDerWaalsContact O-N 3.14Å; V23-L26 PolarHBondContact O-N 2.75Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 2.84Å |
| 27 | L | 61 | Low | 54.8 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 172.1 | -122.4 | 85.6 | 0 | 0 | 0 | 112.2 | V23 K24 V30 T31 | V23-L27 PolarHBondContact O-N 3.13Å; K24-L27 PolarHBondContact O-N 3.23Å; L27-V30 PolarHBondContact O-N 2.7Å; L27-T31 WeakPolarHBondContact O-CB 3.38Å; L27-T31 PolarHBondContact O-N 2.88Å; L27-T31 PolarHBondContact O-OG1 3Å |
| 28 | D | 63.6 | Low | 54.9 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.6 | -35.6 | -179.2 | -72.7 | -22 | 0 | 0 | 0 | 112 | K24 T31 H32 | K24-D28 PolarHBondContact O-N 3.07Å; K24-D28 VanDerWaalsContact O-N 3.09Å; D28-T31 PolarHBondContact O-N 3.23Å; D28-H32 WeakPolarHBondContact O-CB 3.47Å; D28-H32 PolarHBondContact O-N 2.94Å |
| 29 | D | 59.1 | Low | 54.1 | Low | 88 Ų | 88 | 126.1 Ų | 126.1 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.3 | -39.1 | 174.8 | -171.4 | 64.6 | 0 | 0 | 0 | 112.5 | A25 R33 | A25-D29 PolarHBondContact O-N 2.69Å; D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-R33 IonicContact OD2-NE 3.86Å |
| 30 | V | 56.1 | Low | 54.6 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69 | -37.7 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L26 L27 R33 T34 | L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 2.84Å; L27-V30 PolarHBondContact O-N 2.7Å; V30-R33 PolarHBondContact O-N 2.84Å; V30-T34 PolarHBondContact O-N 2.93Å; V30-T34 PolarHBondContact O-OG1 3.33Å |
| 31 | T | 53.7 | Low | 53.7 | Low | 83 Ų | 83 | 128.8 Ų | 128.8 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.9 | -40.2 | 179.1 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | L27 D28 R33 T34 D35 | L27-T31 WeakPolarHBondContact O-CB 3.38Å; L27-T31 PolarHBondContact O-N 2.88Å; L27-T31 PolarHBondContact O-OG1 3Å; D28-T31 PolarHBondContact O-N 3.23Å; T31-R33 PolarHBondContact O-N 3.14Å; T31-T34 PolarHBondContact O-N 3.16Å; T31-D35 PolarHBondContact O-N 3.49Å |
| 32 | H | 51.4 | Low | 52.9 | Low | 127 Ų | 127 | 127.2 Ų | 127.2 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.8 | -29.7 | 177.1 | -165.2 | -93.2 | 0 | 0 | 0 | 113.4 | D28 T34 | D28-H32 WeakPolarHBondContact O-CB 3.47Å; D28-H32 PolarHBondContact O-N 2.94Å; H32-T34 VanDerWaalsContact C-N 3.34Å |
| 33 | R | 48.3 | Very low | 52.2 | Low | 190 Ų | 190 | 129.9 Ų | 129.9 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71 | -28 | 170.8 | -79.6 | -172.8 | -177.8 | -171.1 | 0.4 | 113.4 | D29 V30 T31 | D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-R33 IonicContact OD2-NE 3.86Å; V30-R33 PolarHBondContact O-N 2.84Å; T31-R33 PolarHBondContact O-N 3.14Å |
| 34 | T | 44.7 | Very low | 51.3 | Low | 98 Ų | 98 | 133.3 Ų | 133.3 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.3 | -32.2 | -177.8 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | V30 T31 H32 | V30-T34 PolarHBondContact O-N 2.93Å; V30-T34 PolarHBondContact O-OG1 3.33Å; T31-T34 PolarHBondContact O-N 3.16Å; H32-T34 VanDerWaalsContact C-N 3.34Å |
| 35 | D | 41.5 | Very low | 50.3 | Low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.2 | -25.8 | -179.3 | -127.8 | -5.1 | 0 | 0 | 0 | 113.6 | T31 R37 | T31-D35 PolarHBondContact O-N 3.49Å; D35-R37 PolarHBondContact O-N 3.42Å; D35-R37 VanDerWaalsContact O-N 3.13Å |
| 36 | K | 40.5 | Very low | 49.4 | Very low | 178 Ų | 178 | 136 Ų | 136 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -3 | 174.2 | -96.3 | -169.2 | 178.1 | -176.1 | 0 | 114.8 | ||
| 37 | R | 42.1 | Very low | 49 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 87% | 0.868 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 15.3 | -179.5 | -147.4 | -178 | -168.6 | -170.5 | 4.2 | 114.4 | D35 | D35-R37 PolarHBondContact O-N 3.42Å; D35-R37 VanDerWaalsContact O-N 3.13Å |
| 38 | K | 50.4 | Low | 48.7 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 81% | 0.809 | 69% | 0.69 | S | S | * | * | trans | -129.3 | 88.3 | 173.8 | -78.2 | -175.6 | 178.4 | 176.5 | 0 | 112.1 | ||||
| 39 | S | 37.5 | Very low | 48.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -153 | 153.5 | 148.4 | -134.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | P | 61.8 | Low | 48.1 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -100.9 | 160.8 | -139.7 | 38 | -36.8 | 0 | 0 | 0 | 115.6 | ||||
| 41 | E | 37.3 | Very low | 48.9 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | 136 | 156.6 | 147.6 | -78.3 | -168.7 | 148 | 0 | 0 | 113.9 | ||||
| 42 | P | 44.6 | Very low | 49.9 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | cis | -124.2 | 158.4 | -43 | 32.9 | -16.8 | 0 | 0 | 0 | 112.9 | ||||
| 43 | K | 47.9 | Very low | 51.3 | Low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | trans | 15.1 | 103 | 153.2 | -62.7 | 174.5 | -178.6 | 175.8 | 0 | 117.6 | ||||
| 44 | N | 43.8 | Very low | 52.8 | Low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | trans | -170 | -4.4 | 146.2 | -96.9 | -13.5 | 0 | 0 | 0 | 114.6 | ||||
| 45 | K | 43.8 | Very low | 54.4 | Low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.1 | -14.5 | -178 | -73 | -174.3 | 175.1 | -177.5 | 0 | 115.9 | S49 | K45-S49 PolarHBondContact O-N 2.77Å; K45-S49 PolarHBondContact O-OG 2.94Å |
| 46 | S | 48.6 | Very low | 56.4 | Low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.1 | -26.2 | -176.1 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | S49 C50 | S46-S49 PolarHBondContact O-OG 3.05Å; S46-C50 VanDerWaalsContact O-CB 3.26Å; S46-C50 WeakPolarHBondContact O-CB 3.33Å; S46-C50 PolarHBondContact O-N 3.31Å |
| 47 | V | 51.7 | Low | 58.7 | Low | 104 Ų | 104 | 124 Ų | 124 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.9 | -37.1 | -177.7 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | S51 | V47-S51 PolarHBondContact O-N 3.31Å; V47-S51 PolarHBondContact O-OG 2.66Å |
| 48 | E | 53.7 | Low | 60.7 | Low | 140 Ų | 140 | 120.2 Ų | 120.2 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.8 | -33.5 | -177.6 | -152.2 | 169.7 | -148.5 | 0 | 0 | 112.6 | S51 T52 | E48-S51 PolarHBondContact O-OG 2.95Å; E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 VanDerWaalsContact O-N 3.15Å; E48-T52 PolarHBondContact O-OG1 2.94Å |
| 49 | S | 55 | Low | 62.3 | Low | 69 Ų | 69 | 114.6 Ų | 114.6 | 48% | 0.483 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.8 | -36.9 | 170.9 | 62.4 | 0 | 0 | 0 | 0 | 112 | K45 S46 V53 | K45-S49 PolarHBondContact O-N 2.77Å; K45-S49 PolarHBondContact O-OG 2.94Å; S46-S49 PolarHBondContact O-OG 3.05Å; S49-V53 VanDerWaalsContact O-CG2 3.24Å; S49-V53 WeakPolarHBondContact O-CG2 3.1Å; S49-V53 PolarHBondContact O-N 3.1Å; S49-V53 VanDerWaalsContact O-N 3.11Å |
| 50 | C | 55.7 | Low | 64.6 | Low | 66 Ų | 66 | 115.8 Ų | 115.8 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -41.7 | 177.8 | -161.1 | 0 | 0 | 0 | 0 | 111.2 | S46 V53 E54 | S46-C50 VanDerWaalsContact O-CB 3.26Å; S46-C50 WeakPolarHBondContact O-CB 3.33Å; S46-C50 PolarHBondContact O-N 3.31Å; C50-V53 PolarHBondContact O-N 3.44Å; C50-E54 WeakPolarHBondContact O-CB 3.34Å; C50-E54 WeakPolarHBondContact O-CG 3.31Å; C50-E54 PolarHBondContact O-N 2.78Å |
| 51 | S | 73.3 | Confident | 65.8 | Low | 58 Ų | 58 | 113.1 Ų | 113.1 | 41% | 0.406 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.5 | -34.8 | 177.9 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | V47 E48 Y55 | V47-S51 PolarHBondContact O-N 3.31Å; V47-S51 PolarHBondContact O-OG 2.66Å; E48-S51 PolarHBondContact O-OG 2.95Å; S51-Y55 VanDerWaalsContact O-CB 3.28Å; S51-Y55 WeakPolarHBondContact O-CB 3.42Å; S51-Y55 PolarHBondContact O-N 2.87Å |
| 52 | T | 73.7 | Confident | 68.2 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.1 | -40.9 | 177.3 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | E48 Y55 C56 | E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 VanDerWaalsContact O-N 3.15Å; E48-T52 PolarHBondContact O-OG1 2.94Å; T52-Y55 PolarHBondContact O-N 2.81Å; T52-C56 WeakPolarHBondContact O-CB 3.46Å; T52-C56 PolarHBondContact O-N 3.23Å; T52-C56 PolarHBondContact O-SG 2.9Å; T52-C56 VanDerWaalsContact O-SG 3.34Å |
| 53 | V | 81.4 | Confident | 70 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 53% | 0.527 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -44.9 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S49 C50 Y55 C56 E57 | S49-V53 VanDerWaalsContact O-CG2 3.24Å; S49-V53 WeakPolarHBondContact O-CG2 3.1Å; S49-V53 PolarHBondContact O-N 3.1Å; S49-V53 VanDerWaalsContact O-N 3.11Å; C50-V53 PolarHBondContact O-N 3.44Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 3.49Å; V53-C56 PolarHBondContact O-N 2.69Å; V53-E57 WeakPolarHBondContact O-CG 3.45Å; V53-E57 PolarHBondContact O-N 2.97Å |
| 54 | E | 79.7 | Confident | 71.4 | Confident | 101 Ų | 101 | 111.3 Ų | 111.3 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -35.7 | 174.6 | -77.6 | 179.1 | -172.1 | 0 | 0 | 112.7 | C50 K58 | C50-E54 WeakPolarHBondContact O-CB 3.34Å; C50-E54 WeakPolarHBondContact O-CG 3.31Å; C50-E54 PolarHBondContact O-N 2.78Å; E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.41Å |
| 55 | Y | 78.3 | Confident | 72.9 | Confident | 153 Ų | 153 | 111 Ų | 111 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.5 | -46.1 | 174.2 | 177.7 | -96.7 | 0 | 0 | 0 | 111.4 | S51 T52 V53 E57 K58 L59 | S51-Y55 VanDerWaalsContact O-CB 3.28Å; S51-Y55 WeakPolarHBondContact O-CB 3.42Å; S51-Y55 PolarHBondContact O-N 2.87Å; T52-Y55 PolarHBondContact O-N 2.81Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 3.49Å; Y55-E57 PolarHBondContact O-N 2.89Å; Y55-K58 PolarHBondContact O-N 2.94Å; Y55-L59 HydrophobicContact CE1-CD2 4.16Å; Y55-L59 VanDerWaalsContact O-CB 3.28Å; Y55-L59 WeakPolarHBondContact O-CB 3.08Å; Y55-L59 PolarHBondContact O-N 3.47Å |
| 56 | C | 84.1 | Confident | 74.4 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -41.1 | 177 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | T52 V53 L59 Q60 | T52-C56 WeakPolarHBondContact O-CB 3.46Å; T52-C56 PolarHBondContact O-N 3.23Å; T52-C56 PolarHBondContact O-SG 2.9Å; T52-C56 VanDerWaalsContact O-SG 3.34Å; V53-C56 PolarHBondContact O-N 2.69Å; C56-L59 PolarHBondContact O-N 3.08Å; C56-Q60 VanDerWaalsContact O-CB 3.27Å; C56-Q60 WeakPolarHBondContact O-CB 3.36Å; C56-Q60 PolarHBondContact O-N 3.31Å |
| 57 | E | 87.7 | Confident | 75.5 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -43.1 | 175.6 | -75.3 | -169.4 | 154.8 | 0 | 0 | 112 | V53 Y55 Q60 A61 | V53-E57 WeakPolarHBondContact O-CG 3.45Å; V53-E57 PolarHBondContact O-N 2.97Å; Y55-E57 PolarHBondContact O-N 2.89Å; E57-Q60 PolarHBondContact O-N 2.9Å; E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 2.96Å |
| 58 | K | 85.5 | Confident | 76.3 | Confident | 151 Ų | 151 | 110 Ų | 110 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -38.6 | 175.5 | -78.2 | 178.5 | -179.9 | 168.8 | 0 | 112.3 | E54 Y55 W62 | E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.41Å; Y55-K58 PolarHBondContact O-N 2.94Å; K58-W62 VanDerWaalsContact O-CB 3.32Å; K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 3.01Å |
| 59 | L | 84.3 | Confident | 77.1 | Confident | 69 Ų | 69 | 105.2 Ų | 105.2 | 36% | 0.361 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 177 | -175.1 | 66.2 | 0 | 0 | 0 | 111.1 | Y55 C56 W62 M63 | Y55-L59 HydrophobicContact CE1-CD2 4.16Å; Y55-L59 VanDerWaalsContact O-CB 3.28Å; Y55-L59 WeakPolarHBondContact O-CB 3.08Å; Y55-L59 PolarHBondContact O-N 3.47Å; C56-L59 PolarHBondContact O-N 3.08Å; L59-W62 HydrophobicContact CD1-CE3 4.38Å; L59-W62 PolarHBondContact O-N 2.84Å; L59-M63 WeakPolarHBondContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CG 3.42Å; L59-M63 PolarHBondContact O-N 2.97Å |
| 60 | Q | 85.1 | Confident | 77.5 | Confident | 147 Ų | 147 | 107.6 Ų | 107.6 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 176.1 | -177 | 175.9 | -33.8 | 0 | 0 | 111.5 | C56 E57 M63 W64 | C56-Q60 VanDerWaalsContact O-CB 3.27Å; C56-Q60 WeakPolarHBondContact O-CB 3.36Å; C56-Q60 PolarHBondContact O-N 3.31Å; E57-Q60 PolarHBondContact O-N 2.9Å; Q60-M63 PolarHBondContact O-N 3.4Å; Q60-W64 WeakPolarHBondContact O-CB 3.31Å; Q60-W64 PolarHBondContact O-N 3.29Å |
| 61 | A | 85.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E57 W64 Q65 | E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 2.96Å; A61-W64 PolarHBondContact O-N 3.29Å; A61-Q65 WeakPolarHBondContact O-CG 3.28Å; A61-Q65 PolarHBondContact O-N 2.69Å |
| 62 | W | 89.3 | Confident | 76.8 | Confident | 161 Ų | 161 | 109.1 Ų | 109.1 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 176.6 | -177.9 | 82.3 | 0 | 0 | 0 | 112.5 | K58 L59 W64 Q65 Y66 | K58-W62 VanDerWaalsContact O-CB 3.32Å; K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 3.01Å; L59-W62 HydrophobicContact CD1-CE3 4.38Å; L59-W62 PolarHBondContact O-N 2.84Å; W62-W64 VanDerWaalsContact C-N 3.29Å; W62-W64 PolarHBondContact O-N 2.89Å; W62-Q65 PolarHBondContact O-N 3Å; W62-Y66 WeakPolarHBondContact O-CB 3.26Å; W62-Y66 PolarHBondContact O-N 2.93Å |
| 63 | M | 82.5 | Confident | 75.7 | Confident | 117 Ų | 117 | 113.9 Ų | 113.9 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | 173.9 | -80.7 | 179.9 | 59.4 | 0 | 0 | 111.7 | L59 Q60 Y66 Y67 | L59-M63 WeakPolarHBondContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CG 3.42Å; L59-M63 PolarHBondContact O-N 2.97Å; Q60-M63 PolarHBondContact O-N 3.4Å; M63-Y66 PolarHBondContact O-N 3.16Å; M63-Y67 VanDerWaalsContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.43Å |
| 64 | W | 76.9 | Confident | 74.3 | Confident | 172 Ų | 172 | 114 Ų | 114 | 65% | 0.652 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 177.1 | -168 | -106.6 | 0 | 0 | 0 | 111.8 | Q60 A61 W62 Y67 T68 | Q60-W64 WeakPolarHBondContact O-CB 3.31Å; Q60-W64 PolarHBondContact O-N 3.29Å; A61-W64 PolarHBondContact O-N 3.29Å; W62-W64 VanDerWaalsContact C-N 3.29Å; W62-W64 PolarHBondContact O-N 2.89Å; W64-Y67 PolarHBondContact O-N 3.29Å; W64-T68 HydrophobicContact CD2-CG2 4.43Å; W64-T68 HydrophobicContact CZ2-CG2 4.42Å; W64-T68 WeakPolarHBondContact O-CB 3.4Å; W64-T68 WeakPolarHBondContact O-CG2 3.48Å; W64-T68 PolarHBondContact O-N 3.47Å; W64-T68 PolarHBondContact O-OG1 3.5Å |
| 65 | Q | 75.4 | Confident | 72.8 | Confident | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 174.9 | -69.7 | -78.8 | -29.9 | 0 | 0 | 111.8 | A61 W62 T68 G69 | A61-Q65 WeakPolarHBondContact O-CG 3.28Å; A61-Q65 PolarHBondContact O-N 2.69Å; W62-Q65 PolarHBondContact O-N 3Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.28Å; Q65-T68 PolarHBondContact O-OG1 3Å; Q65-G69 PolarHBondContact O-N 2.82Å |
| 66 | Y | 74.1 | Confident | 71.3 | Confident | 151 Ų | 151 | 112.7 Ų | 112.7 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.3 | -44.6 | 176.8 | -176.9 | -97.9 | 0 | 0 | 0 | 111.8 | W62 M63 G69 Y70 | W62-Y66 WeakPolarHBondContact O-CB 3.26Å; W62-Y66 PolarHBondContact O-N 2.93Å; M63-Y66 PolarHBondContact O-N 3.16Å; Y66-G69 PolarHBondContact O-N 3.41Å; Y66-Y70 VanDerWaalsContact O-CB 3.31Å; Y66-Y70 WeakPolarHBondContact O-CB 3.36Å; Y66-Y70 PolarHBondContact O-N 2.9Å |
| 67 | Y | 71.9 | Confident | 69.7 | Low | 146 Ų | 146 | 114.4 Ų | 114.4 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -46.3 | 177.7 | -171.9 | -97.2 | 0 | 0 | 0 | 111.6 | M63 W64 G69 Y70 V71 | M63-Y67 VanDerWaalsContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.43Å; W64-Y67 PolarHBondContact O-N 3.29Å; Y67-G69 VanDerWaalsContact C-N 3.33Å; Y67-G69 PolarHBondContact O-N 2.95Å; Y67-Y70 PolarHBondContact O-N 3.18Å; Y67-V71 HydrophobicContact CD1-CG2 4.13Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 WeakPolarHBondContact O-CB 3.21Å; Y67-V71 VanDerWaalsContact O-CG2 3.24Å; Y67-V71 WeakPolarHBondContact O-CG2 3.43Å; Y67-V71 PolarHBondContact O-N 2.96Å |
| 68 | T | 69.5 | Low | 67.7 | Low | 55 Ų | 55 | 114.2 Ų | 114.2 | 34% | 0.337 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | W64 Q65 N72 | W64-T68 HydrophobicContact CD2-CG2 4.43Å; W64-T68 HydrophobicContact CZ2-CG2 4.42Å; W64-T68 WeakPolarHBondContact O-CB 3.4Å; W64-T68 WeakPolarHBondContact O-CG2 3.48Å; W64-T68 PolarHBondContact O-N 3.47Å; W64-T68 PolarHBondContact O-OG1 3.5Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.28Å; Q65-T68 PolarHBondContact O-OG1 3Å; T68-N72 WeakPolarHBondContact O-CB 3.43Å; T68-N72 PolarHBondContact O-N 3.08Å |
| 69 | G | 69.6 | Low | 65.8 | Low | 39 Ų | 39 | 109.7 Ų | 109.7 | 40% | 0.402 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q65 Y66 Y67 N72 W73 | Q65-G69 PolarHBondContact O-N 2.82Å; Y66-G69 PolarHBondContact O-N 3.41Å; Y67-G69 VanDerWaalsContact C-N 3.33Å; Y67-G69 PolarHBondContact O-N 2.95Å; G69-N72 PolarHBondContact O-N 2.93Å; G69-W73 PolarHBondContact O-N 2.85Å |
| 70 | Y | 64.7 | Low | 63.9 | Low | 118 Ų | 118 | 110.4 Ų | 110.4 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.7 | -178.5 | -95.7 | 0 | 0 | 0 | 112.1 | Y66 Y67 N72 W73 Q74 | Y66-Y70 VanDerWaalsContact O-CB 3.31Å; Y66-Y70 WeakPolarHBondContact O-CB 3.36Å; Y66-Y70 PolarHBondContact O-N 2.9Å; Y67-Y70 PolarHBondContact O-N 3.18Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.44Å; Y70-W73 PolarHBondContact O-N 3.35Å; Y70-Q74 HydrophobicContact CD1-CG 4.47Å; Y70-Q74 HydrophobicContact CE1-CG 4.14Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.01Å; Y70-Q74 PolarHBondContact OH-NE2 3.24Å |
| 71 | V | 60.1 | Low | 61.7 | Low | 63 Ų | 63 | 108.1 Ų | 108.1 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | Y67 S75 | Y67-V71 HydrophobicContact CD1-CG2 4.13Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 WeakPolarHBondContact O-CB 3.21Å; Y67-V71 VanDerWaalsContact O-CG2 3.24Å; Y67-V71 WeakPolarHBondContact O-CG2 3.43Å; Y67-V71 PolarHBondContact O-N 2.96Å; V71-S75 WeakPolarHBondContact O-CB 3.44Å; V71-S75 PolarHBondContact O-N 3.43Å; V71-S75 PolarHBondContact O-OG 3.1Å |
| 72 | N | 53 | Low | 59.6 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.9 | -37.4 | 175.5 | -155.3 | 30.8 | 0 | 0 | 0 | 111.9 | T68 G69 Y70 S75 W76 | T68-N72 WeakPolarHBondContact O-CB 3.43Å; T68-N72 PolarHBondContact O-N 3.08Å; G69-N72 PolarHBondContact O-N 2.93Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.44Å; N72-S75 PolarHBondContact O-N 3.49Å; N72-W76 VanDerWaalsContact O-CD1 3.28Å; N72-W76 PolarHBondContact O-N 3.38Å |
| 73 | W | 51.1 | Low | 57.1 | Low | 177 Ų | 177 | 110.3 Ų | 110.3 | 67% | 0.67 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 172.2 | 177 | -96 | 0 | 0 | 0 | 112.5 | G69 Y70 S75 W76 L77 | G69-W73 PolarHBondContact O-N 2.85Å; Y70-W73 PolarHBondContact O-N 3.35Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 2.77Å; W73-W76 PolarHBondContact O-N 3.1Å; W73-L77 HydrophobicContact CD2-CD1 4.5Å; W73-L77 HydrophobicContact CZ2-CD1 4.08Å; W73-L77 PolarHBondContact O-N 2.55Å; W73-L77 VanDerWaalsContact O-N 3.07Å |
| 74 | Q | 52.3 | Low | 54.8 | Low | 91 Ų | 91 | 110.9 Ų | 110.9 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.2 | -37.9 | 171.1 | -73 | -88.4 | 0 | 0 | 0 | 111.8 | Y70 L78 | Y70-Q74 HydrophobicContact CD1-CG 4.47Å; Y70-Q74 HydrophobicContact CE1-CG 4.14Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.01Å; Y70-Q74 PolarHBondContact OH-NE2 3.24Å; Q74-L78 PolarHBondContact O-N 3.44Å |
| 75 | S | 48.1 | Very low | 53.1 | Low | 58 Ų | 58 | 108.3 Ų | 108.3 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.7 | -33.9 | 178 | -59.2 | 0 | 0 | 0 | 0 | 113 | V71 N72 W73 L78 A79 | V71-S75 WeakPolarHBondContact O-CB 3.44Å; V71-S75 PolarHBondContact O-N 3.43Å; V71-S75 PolarHBondContact O-OG 3.1Å; N72-S75 PolarHBondContact O-N 3.49Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 2.77Å; S75-L78 PolarHBondContact O-N 2.76Å; S75-A79 PolarHBondContact O-N 2.79Å |
| 76 | W | 46.8 | Very low | 51.2 | Low | 167 Ų | 167 | 107.5 Ų | 107.5 | 63% | 0.633 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.8 | -35.8 | 173.8 | -90.2 | 66.6 | 0 | 0 | 0 | 112.4 | N72 W73 L78 A79 S80 | N72-W76 VanDerWaalsContact O-CD1 3.28Å; N72-W76 PolarHBondContact O-N 3.38Å; W73-W76 PolarHBondContact O-N 3.1Å; W76-L78 PolarHBondContact O-N 3Å; W76-A79 PolarHBondContact O-N 3.36Å; W76-S80 PolarHBondContact O-N 3.45Å; W76-S80 PolarHBondContact O-OG 3.12Å; W76-S80 VanDerWaalsContact O-OG 3.13Å |
| 77 | L | 49.6 | Very low | 49.3 | Very low | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -33.3 | 171.7 | -113.6 | 99.6 | 0 | 0 | 0 | 112.5 | W73 | W73-L77 HydrophobicContact CD2-CD1 4.5Å; W73-L77 HydrophobicContact CZ2-CD1 4.08Å; W73-L77 PolarHBondContact O-N 2.55Å; W73-L77 VanDerWaalsContact O-N 3.07Å |
| 78 | L | 46.7 | Very low | 47.5 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.9 | -38.6 | 173.7 | -70.1 | 169.4 | 0 | 0 | 0 | 111.8 | Q74 S75 W76 T81 | Q74-L78 PolarHBondContact O-N 3.44Å; S75-L78 PolarHBondContact O-N 2.76Å; W76-L78 PolarHBondContact O-N 3Å; L78-T81 PolarHBondContact O-N 3.11Å; L78-T81 PolarHBondContact O-OG1 3.31Å |
| 79 | A | 45.2 | Very low | 45.9 | Very low | 57 Ų | 57 | 113.1 Ų | 113.1 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.4 | -34 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S75 W76 T81 M82 | S75-A79 PolarHBondContact O-N 2.79Å; W76-A79 PolarHBondContact O-N 3.36Å; A79-T81 PolarHBondContact O-N 2.93Å; A79-M82 PolarHBondContact O-N 3.31Å; A79-M82 VanDerWaalsContact O-N 3.14Å |
| 80 | S | 44.2 | Very low | 44.2 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -9.6 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | W76 M82 | W76-S80 PolarHBondContact O-N 3.45Å; W76-S80 PolarHBondContact O-OG 3.12Å; W76-S80 VanDerWaalsContact O-OG 3.13Å; S80-M82 VanDerWaalsContact C-N 3.33Å |
| 81 | T | 38.9 | Very low | 43 | Very low | 100 Ų | 100 | 116.5 Ų | 116.5 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.6 | 169.9 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | L78 A79 | L78-T81 PolarHBondContact O-N 3.11Å; L78-T81 PolarHBondContact O-OG1 3.31Å; A79-T81 PolarHBondContact O-N 2.93Å |
| 82 | M | 41.4 | Very low | 42 | Very low | 156 Ų | 156 | 119.7 Ų | 119.7 | 77% | 0.768 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -122.6 | 45.1 | -177 | -71.7 | -71.9 | 130 | 0 | 0 | 112.6 | A79 S80 | A79-M82 PolarHBondContact O-N 3.31Å; A79-M82 VanDerWaalsContact O-N 3.14Å; S80-M82 VanDerWaalsContact C-N 3.33Å |
| 83 | T | 36.9 | Very low | 40.9 | Very low | 107 Ų | 107 | 119 Ų | 119 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | trans | -137.5 | 80.7 | 164.6 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 84 | V | 34.2 | Very low | 40.3 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | trans | -152.9 | 109.6 | 138 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | P86 | V84-P86 HydrophobicContact CG1-CG 4.35Š| ||
| 85 | P | 40.7 | Very low | 39.3 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -104.9 | 121.8 | 154.3 | 30.7 | -20.1 | 0 | 0 | 0 | 109.6 | ||||
| 86 | P | 36.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -81.9 | 118.9 | 157.4 | -7.8 | 26.4 | 0 | 0 | 0 | 108.3 | V84 | V84-P86 HydrophobicContact CG1-CG 4.35Š| ||
| 87 | C | 33.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -38.4 | 146.9 | 167.5 | -97.4 | 0 | 0 | 0 | 0 | 114.6 | Q89 | C87-Q89 PolarHBondContact O-N 3.44Š| ||
| 88 | L | 34.5 | Very low | 37.2 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -7 | 119.4 | 142.9 | -70.8 | 153.8 | 0 | 0 | 0 | 114.9 | ||||
| 89 | Q | 35.2 | Very low | 36.5 | Very low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -99 | 130.2 | 159.5 | -78.7 | -168.9 | -50.8 | 0 | 0 | 110.2 | C87 | C87-Q89 PolarHBondContact O-N 3.44Š|
| 90 | P | 35.2 | Very low | 35.9 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 161.3 | 156.5 | 13.9 | 2.1 | 0 | 0 | 0 | 110.9 | ||
| 91 | P | 40 | Very low | 35.5 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -79.7 | 161.2 | -176.8 | 33.9 | -32.5 | 0 | 0 | 0 | 111.6 | ||
| 92 | S | 38.2 | Very low | 35.3 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 79.2 | 122 | 168 | 48.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 93 | G | 30.3 | Very low | 35.3 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 145.4 | 107.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 94 | T | 38.8 | Very low | 35.3 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -58.8 | 135.1 | 176.6 | -43 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 95 | S | 30.4 | Very low | 35.2 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -174.2 | 141.6 | 137.8 | -83.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 96 | T | 39.1 | Very low | 35 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -59.1 | 139.5 | 175.9 | 41.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 97 | A | 30.4 | Very low | 34.8 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | 177.7 | 134.8 | 135 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 98 | L | 30.1 | Very low | 34.7 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | 62.8 | 93.1 | 154.2 | -64.1 | 170.3 | 0 | 0 | 0 | 119.3 | F100 | L98-F100 PolarHBondContact O-N 2.88Š| ||
| 99 | V | 33.1 | Very low | 34.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 107.4 | 159.6 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 100 | F | 33 | Very low | 34.4 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | -83.9 | 111.2 | 160.8 | -96 | -91.8 | 0 | 0 | 0 | 108.1 | L98 | L98-F100 PolarHBondContact O-N 2.88Š| ||
| 101 | D | 35.5 | Very low | 34.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | trans | -97.2 | 114.9 | 177.2 | -162.3 | -13.7 | 0 | 0 | 0 | 110.1 | Q103 | D101-Q103 VanDerWaalsContact C-N 3.3Å; D101-Q103 PolarHBondContact O-N 2.97Å | ||
| 102 | P | 35.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 7 | -174.7 | -10.7 | 28 | 0 | 0 | 0 | 115.4 | ||
| 103 | Q | 40.3 | Very low | 33.4 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -0 | -167.2 | -82.9 | -164.5 | -10.7 | 0 | 0 | 117.8 | D101 | D101-Q103 VanDerWaalsContact C-N 3.3Å; D101-Q103 PolarHBondContact O-N 2.97Å |
| 104 | N | 36.7 | Very low | 33.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -104.9 | 13.8 | -168.5 | -156 | 42.2 | 0 | 0 | 0 | 117.6 | Q106 | N104-Q106 PolarHBondContact O-N 3.2Š| ||
| 105 | W | 32.4 | Very low | 33.3 | Very low | 247 Ų | 247 | 148 Ų | 148 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -94.4 | 19.3 | -174.3 | -139.6 | -46 | 0 | 0 | 0 | 115.9 | ||
| 106 | Q | 36.1 | Very low | 33.5 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -116.9 | -4.6 | -177.9 | -65.2 | -174.8 | 30.2 | 0 | 0 | 115.7 | N104 | N104-Q106 PolarHBondContact O-N 3.2Š|
| 107 | N | 32.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -122.7 | 49.2 | -178.7 | -87 | -7.3 | 0 | 0 | 0 | 113.8 | ||||
| 108 | A | 31 | Very low | 33.6 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | -118.3 | 87.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | S | 28.7 | Very low | 34 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -151.6 | 113.2 | 157 | -79.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 110 | F | 34.9 | Very low | 33.8 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 69.6 | 105.8 | 169.1 | -63.2 | -82 | 0 | 0 | 0 | 119.1 | ||
| 111 | G | 28.7 | Very low | 33.9 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 164.9 | 116.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 112 | L | 30.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -59.4 | 148.1 | 174.7 | -84.9 | 124.1 | 0 | 0 | 0 | 112.5 | ||||
| 113 | P | 33.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -84 | 119.8 | -178.9 | 31.6 | -30.1 | 0 | 0 | 0 | 111.8 | ||||
| 114 | L | 33.1 | Very low | 33.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -107.5 | 133.5 | 161.2 | -80.4 | 165.5 | 0 | 0 | 0 | 109.3 | ||||
| 115 | L | 33.5 | Very low | 33.4 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 150.7 | -174.6 | -135.8 | 82.7 | 0 | 0 | 0 | 113.2 | ||
| 116 | P | 36.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 134.9 | 172.3 | 3.5 | 15.9 | 0 | 0 | 0 | 112.5 | ||
| 117 | S | 31.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 152.3 | 166.9 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 118 | P | 39.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 168.1 | -168.9 | 35.3 | -35 | 0 | 0 | 0 | 114.2 | ||
| 119 | P | 38.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 145 | -174.4 | 33.9 | -32.8 | 0 | 0 | 0 | 112.7 | ||
| 120 | T | 28.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -108.1 | 128.4 | 174.4 | -45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 121 | V | 35.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -70 | 137.8 | 173.1 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 122 | H | 30.4 | Very low | 32.5 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -159.2 | 140.4 | 145 | -82.8 | -59.9 | 0 | 0 | 0 | 113.2 | ||||
| 123 | S | 31.1 | Very low | 32.5 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -140.9 | 171.1 | 154.8 | -74 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 124 | P | 46.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | cis | -140.8 | 176.1 | 1.8 | 38.4 | -18 | 0 | 0 | 0 | 116.8 | ||||
| 125 | S | 28.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 77.7 | 142.2 | 138.4 | -159.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 126 | S | 31.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 106.1 | 138.9 | 156.7 | 75.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 127 | R | 31.5 | Very low | 32.2 | Very low | 235 Ų | 235 | 123.7 Ų | 123.7 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | cis | -176.8 | 140.5 | -10.5 | 174.5 | -179.8 | -171 | 170.5 | 2.9 | 107.1 | ||||
| 128 | A | 27.5 | Very low | 32.3 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 52 | 147.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 129 | G | 28.4 | Very low | 32.1 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | cis | 173.3 | -177.9 | 6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 130 | Q | 30.4 | Very low | 31.8 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | 100.1 | 97.5 | 166.3 | -71.2 | 173.3 | -7.9 | 0 | 0 | 120.9 | ||||
| 131 | A | 27.9 | Very low | 31.9 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | 19 | 133.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 132 | A | 28.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | 175.7 | 159.6 | 100.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 133 | V | 31.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -74 | 148.8 | -168.3 | 172.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 134 | G | 27.9 | Very low | 32.2 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | 156.9 | 105.1 | 156 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 135 | A | 29.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -91.5 | 175.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | P | 42.2 | Very low | 32 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | cis | -128.1 | 158.6 | -8.4 | 37.5 | -21 | 0 | 0 | 0 | 113.1 | ||||
| 137 | A | 29.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -144 | 86.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110 | A139 | A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.44Å | ||
| 138 | A | 34.7 | Very low | 32.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -63.9 | 91.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | A | 34.8 | Very low | 32.9 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -155.4 | 12.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | A137 | A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.44Å | ||
| 140 | Q | 31.8 | Very low | 33.1 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -135.5 | 14.9 | -174.6 | -134.1 | 175.1 | -8.7 | 0 | 0 | 116.1 | ||
| 141 | Q | 32.5 | Very low | 33.4 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -98.9 | 0.2 | 176.1 | -99.9 | 177.4 | -16 | 0 | 0 | 115.2 | ||
| 142 | Q | 34.7 | Very low | 33.8 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -89.3 | -3.9 | 179.7 | -97.4 | 176.9 | -17.6 | 0 | 0 | 115.6 | ||
| 143 | Q | 34.1 | Very low | 34.3 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.5 | -5.6 | 178.4 | -95.2 | 176.1 | -13.2 | 0 | 0 | 115.5 | ||
| 144 | Q | 33.5 | Very low | 34.9 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -106.2 | -1.8 | 177.9 | -117.3 | 171.3 | 19.8 | 0 | 0 | 115 | ||
| 145 | Q | 35.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -112.7 | -5.4 | 179.6 | -144.6 | 147.5 | -0.7 | 0 | 0 | 114.1 | ||
| 146 | Q | 34.4 | Very low | 37.6 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -93.6 | 0.3 | 174.7 | -114.4 | 170.1 | 5.8 | 0 | 0 | 114.6 | ||
| 147 | Q | 35.2 | Very low | 38.9 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -100.1 | 1.8 | 172.5 | -98.2 | 176.9 | -2.1 | 0 | 0 | 114.1 | ||
| 148 | R | 38.5 | Very low | 41.4 | Very low | 228 Ų | 228 | 148.4 Ų | 148.4 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -104.9 | -6.3 | -178.8 | -128.6 | -178.2 | -158.3 | 167.2 | 6.3 | 115.8 | ||
| 149 | D | 35.2 | Very low | 43.8 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -129.9 | 6.4 | -173.7 | -85.8 | -47.6 | 0 | 0 | 0 | 116.2 | ||
| 150 | H | 33.3 | Very low | 46.2 | Very low | 188 Ų | 188 | 145 Ų | 145 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -120.1 | 89.8 | 175.6 | -99.1 | -127.9 | 0 | 0 | 0 | 111.6 | ||
| 151 | G | 36.8 | Very low | 48.8 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | trans | 151.3 | 1.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A153 | G151-A153 PolarHBondContact O-N 2.78Š| ||
| 152 | N | 35.7 | Very low | 51.3 | Low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | trans | -77.5 | 31.8 | -179.1 | -140.8 | 4.6 | 0 | 0 | 0 | 113.9 | Q154 | N152-Q154 PolarHBondContact O-N 2.84Š| ||
| 153 | A | 40.7 | Very low | 53.7 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | trans | -78.2 | 62.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G151 R155 | G151-A153 PolarHBondContact O-N 2.78Å; A153-R155 PolarHBondContact O-N 3.24Å | ||
| 154 | Q | 43.5 | Very low | 56.1 | Low | 152 Ų | 152 | 115.6 Ų | 115.6 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | trans | -48.7 | 114.3 | -178 | -172 | 141.7 | -82.9 | 0 | 0 | 108.5 | N152 Q156 | N152-Q154 PolarHBondContact O-N 2.84Å; Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 WeakPolarHBondContact O-CA 3.1Å; Q154-Q156 PolarHBondContact O-N 2.94Å | ||
| 155 | R | 52.3 | Low | 58.3 | Low | 208 Ų | 208 | 108.9 Ų | 108.9 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | trans | -36.7 | 100.2 | 166.9 | -74.1 | 177.5 | 171 | 175.1 | -2.8 | 107.8 | A153 G157 V276 | A153-R155 PolarHBondContact O-N 3.24Å; R155-G157 PolarHBondContact O-N 2.88Å; R155-V276 HydrophobicContact CB-CG1 3.9Å; R155-V276 HydrophobicContact CB-CG2 4.37Å; R155-V276 HydrophobicContact CG-CG1 4.23Å | ||
| 156 | Q | 60.5 | Low | 60.5 | Low | 152 Ų | 152 | 107.5 Ų | 107.5 | 71% | 0.71 | 55% | 0.545 | S | S | * | . | trans | -77.1 | 69.7 | -171.6 | -144.5 | -179.1 | 59.6 | 0 | 0 | 107.6 | Q154 | Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 WeakPolarHBondContact O-CA 3.1Å; Q154-Q156 PolarHBondContact O-N 2.94Å | ||
| 157 | G | 70.3 | Confident | 62.9 | Low | 26 Ų | 26 | 102.8 Ų | 102.8 | 27% | 0.268 | 52% | 0.522 | S | S | . | . | trans | -71.7 | 133.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109 | R155 V275 | R155-G157 PolarHBondContact O-N 2.88Å; G157-V275 VanDerWaalsContact CA-O 3.24Å; G157-V275 WeakPolarHBondContact CA-O 3.43Å | ||
| 158 | R | 81.8 | Confident | 65.3 | Low | 120 Ų | 120 | 95.1 Ų | 95.1 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134 | 170.8 | -67.4 | -178.6 | -170.6 | 161.8 | 3.2 | 109 | Y160 V275 A278 | R158-Y160 HydrophobicContact CB-CD2 4.16Å; R158-Y160 HydrophobicContact CB-CE2 3.53Å; R158-Y160 WeakPolarHBondContact CD-OH 3.49Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 PolarHBondContact O-N 2.84Å; R158-V275 PolarHBondContact N-O 3.18Å; R158-V275 PolarHBondContact O-N 2.81Å; R158-A278 HydrophobicContact CB-CB 3.61Å; R158-A278 HydrophobicContact CG-CB 3.78Å |
| 159 | E | 85.6 | Confident | 67.5 | Low | 106 Ų | 106 | 86.5 Ų | 86.5 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.3 | 171.3 | -67.4 | -175.7 | -168.6 | 0 | 0 | 109.7 | V273 L274 | E159-V273 WeakPolarHBondContact CA-O 3.46Å; E159-L274 HydrophobicContact CG-CD1 4.03Å |
| 160 | Y | 84.9 | Confident | 69.8 | Low | 25 Ų | 25 | 84.9 Ų | 84.9 | 10% | 0.098 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.6 | 173.4 | -69.3 | -75.5 | 0 | 0 | 0 | 110.9 | R158 V260 R272 V273 V275 A278 V326 | R158-Y160 HydrophobicContact CB-CD2 4.16Å; R158-Y160 HydrophobicContact CB-CE2 3.53Å; R158-Y160 WeakPolarHBondContact CD-OH 3.49Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 PolarHBondContact O-N 2.84Å; Y160-V260 HydrophobicContact CE2-CG2 4.34Å; Y160-R272 CarbonylContact O-C 3.59Å; Y160-R272 VanDerWaalsContact O-CA 3.32Å; Y160-R272 WeakPolarHBondContact O-CA 3.03Å; Y160-V273 PolarHBondContact N-O 3.4Å; Y160-V273 PolarHBondContact O-N 3.47Å; Y160-V275 HydrophobicContact CD2-CB 3.94Å; Y160-V275 HydrophobicContact CD2-CG2 3.83Å; Y160-V275 HydrophobicContact CE2-CB 4.28Å; Y160-A278 HydrophobicContact CE2-CB 3.62Å; Y160-V326 VanDerWaalsContact CB-CG1 3.42Å; Y160-V326 HydrophobicContact CD1-CB 3.75Å; Y160-V326 HydrophobicContact CD1-CG1 4.13Å; Y160-V326 HydrophobicContact CD1-CG2 3.79Å; Y160-V326 HydrophobicContact CD2-CB 4.34Å; Y160-V326 HydrophobicContact CD2-CG1 3.81Å; Y160-V326 HydrophobicContact CE1-CB 4.48Å; Y160-V326 HydrophobicContact CE1-CG2 4.02Å; Y160-V326 HydrophobicContact CG-CB 3.67Å; Y160-V326 HydrophobicContact CG-CG1 3.53Å; Y160-V326 HydrophobicContact CG-CG2 4.05Å |
| 161 | S | 86.1 | Confident | 72.4 | Confident | 33 Ų | 33 | 76 Ų | 76 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.1 | 167.8 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | N271 K327 | S161-N271 VanDerWaalsContact CA-O 3.26Å; S161-N271 WeakPolarHBondContact CA-O 3.18Å; S161-N271 PolarHBondContact OG-O 2.69Å; S161-K327 PolarHBondContact O-N 3.11Å; S161-K327 VanDerWaalsContact O-N 3.08Å |
| 162 | I | 85.8 | Confident | 74.7 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 127.4 | 175.2 | -51.3 | 170.6 | 0 | 0 | 0 | 108.3 | L267 N271 V273 H312 N313 | I162-L267 HydrophobicContact CD1-CD1 4.47Å; I162-N271 PolarHBondContact N-O 3.18Å; I162-N271 VanDerWaalsContact N-O 3.11Å; I162-V273 HydrophobicContact CD1-CB 4.29Å; I162-V273 HydrophobicContact CD1-CG1 3.32Å; I162-V273 HydrophobicContact CD1-CG2 4.03Å; I162-V273 HydrophobicContact CG1-CB 4.25Å; I162-V273 HydrophobicContact CG1-CG1 3.81Å; I162-V273 HydrophobicContact CG1-CG2 3.5Å; I162-H312 WeakPolarHBondContact CD1-O 3.5Å; I162-N313 HydrophobicContact CG2-CB 3.88Å |
| 163 | P | 85.1 | Confident | 77 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 147.5 | 172.8 | 29.6 | -34.1 | 0 | 0 | 0 | 111.4 | Q167 R168 L257 V325 K327 | P163-Q167 HydrophobicContact CB-CB 4.27Å; P163-R168 HydrophobicContact CB-CG 4.43Å; P163-R168 HydrophobicContact CG-CG 4.11Å; P163-L257 HydrophobicContact CB-CD1 4.35Å; P163-L257 HydrophobicContact CB-CD2 3.54Å; P163-L257 HydrophobicContact CG-CD2 4.03Å; P163-V325 WeakPolarHBondContact CD-O 3.44Å; P163-V325 HydrophobicContact CG-CB 4.4Å; P163-V325 HydrophobicContact CG-CG1 4.03Å; P163-K327 HydrophobicContact CB-CG 4.16Å |
| 164 | S | 83.3 | Confident | 79.3 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 155.9 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | L166 Q167 R168 | S164-L166 PolarHBondContact O-N 3.06Å; S164-Q167 WeakPolarHBondContact O-CB 3.32Å; S164-Q167 PolarHBondContact O-N 3.31Å; S164-Q167 VanDerWaalsContact OG-CG 3.31Å; S164-Q167 WeakPolarHBondContact OG-CG 3.24Å; S164-Q167 PolarHBondContact OG-N 3.43Å; S164-R168 PolarHBondContact O-N 2.86Å |
| 165 | P | 80.1 | Confident | 81.4 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -48.7 | -45.2 | 174 | -34.4 | 39.9 | 0 | 0 | 0 | 113.8 | Q167 R168 L169 F309 | P165-Q167 VanDerWaalsContact C-N 3.35Å; P165-Q167 PolarHBondContact O-N 3.11Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 3.28Å; P165-L169 PolarHBondContact O-N 3.02Å; P165-F309 HydrophobicContact CB-CD2 4.43Å; P165-F309 HydrophobicContact CB-CE1 4.4Å; P165-F309 HydrophobicContact CB-CE2 3.48Å; P165-F309 VanDerWaalsContact CB-CE2 3.48Å; P165-F309 HydrophobicContact CB-CZ 3.46Å; P165-F309 VanDerWaalsContact CB-CZ 3.46Å; P165-F309 HydrophobicContact CG-CD2 4.25Å; P165-F309 HydrophobicContact CG-CE1 4.32Å; P165-F309 HydrophobicContact CG-CE2 3.72Å; P165-F309 HydrophobicContact CG-CZ 3.77Å |
| 166 | L | 81.3 | Confident | 83 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 179.5 | -65.1 | 176.7 | 0 | 0 | 0 | 112.4 | S164 R168 L169 M170 | S164-L166 PolarHBondContact O-N 3.06Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.38Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-M170 WeakPolarHBondContact O-CB 3.12Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.49Å; L166-M170 PolarHBondContact O-N 3.16Å |
| 167 | Q | 85.2 | Confident | 84.3 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.4 | -75.1 | 176.3 | -23.1 | 0 | 0 | 111.9 | P163 S164 P165 A171 I255 | P163-Q167 HydrophobicContact CB-CB 4.27Å; S164-Q167 WeakPolarHBondContact O-CB 3.32Å; S164-Q167 PolarHBondContact O-N 3.31Å; S164-Q167 VanDerWaalsContact OG-CG 3.31Å; S164-Q167 WeakPolarHBondContact OG-CG 3.24Å; S164-Q167 PolarHBondContact OG-N 3.43Å; P165-Q167 VanDerWaalsContact C-N 3.35Å; P165-Q167 PolarHBondContact O-N 3.11Å; Q167-A171 WeakPolarHBondContact O-CB 3.22Å; Q167-A171 PolarHBondContact O-N 2.69Å; Q167-A171 VanDerWaalsContact O-N 3.12Å; Q167-I255 HydrophobicContact CB-CG2 4.41Å |
| 168 | R | 86.5 | Confident | 85.2 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | 175 | -65.5 | -174.9 | 179.5 | 167 | 10.9 | 111.6 | P163 S164 P165 L166 A171 E172 L257 N313 | P163-R168 HydrophobicContact CB-CG 4.43Å; P163-R168 HydrophobicContact CG-CG 4.11Å; S164-R168 PolarHBondContact O-N 2.86Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.38Å; R168-A171 PolarHBondContact O-N 3.27Å; R168-E172 PolarHBondContact O-N 3Å; R168-L257 HydrophobicContact CG-CD1 4.38Å; R168-N313 PolarHBondContact NH1-O 3.09Å; R168-N313 PolarHBondContact NH2-O 3.36Å |
| 169 | L | 82.9 | Confident | 85.4 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 175.9 | -179.1 | 63.2 | 0 | 0 | 0 | 110.9 | P165 L166 A171 E172 M173 L307 | P165-L169 PolarHBondContact O-N 3.02Å; L166-L169 PolarHBondContact O-N 3.01Å; L169-A171 PolarHBondContact O-N 3.26Å; L169-E172 PolarHBondContact O-N 3.48Å; L169-E172 VanDerWaalsContact O-N 3.16Å; L169-M173 HydrophobicContact CD1-CG 4.42Å; L169-M173 HydrophobicContact CG-CG 4.39Å; L169-M173 WeakPolarHBondContact O-CG 3.45Å; L169-M173 PolarHBondContact O-N 3.48Å; L169-L307 HydrophobicContact CB-CD2 4.38Å |
| 170 | M | 84.4 | Confident | 85.3 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 178 | -72.6 | -60.3 | -61.3 | 0 | 0 | 111.7 | L166 E172 M173 V174 I255 | L166-M170 WeakPolarHBondContact O-CB 3.12Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.49Å; L166-M170 PolarHBondContact O-N 3.16Å; M170-E172 VanDerWaalsContact C-N 3.34Å; M170-M173 PolarHBondContact O-N 3.24Å; M170-V174 VanDerWaalsContact O-CG2 3.29Å; M170-V174 WeakPolarHBondContact O-CG2 3.46Å; M170-V174 PolarHBondContact O-N 3.06Å; M170-I255 HydrophobicContact CB-CD1 3.42Å; M170-I255 VanDerWaalsContact CB-CD1 3.42Å |
| 171 | A | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -42.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q167 R168 L169 V174 D175 K252 I255 L257 | Q167-A171 WeakPolarHBondContact O-CB 3.22Å; Q167-A171 PolarHBondContact O-N 2.69Å; Q167-A171 VanDerWaalsContact O-N 3.12Å; R168-A171 PolarHBondContact O-N 3.27Å; L169-A171 PolarHBondContact O-N 3.26Å; A171-V174 PolarHBondContact O-N 3.23Å; A171-D175 PolarHBondContact O-N 3.12Å; A171-K252 HydrophobicContact CB-CB 4.47Å; A171-K252 HydrophobicContact CB-CG 3.83Å; A171-I255 HydrophobicContact CB-CB 4.24Å; A171-I255 HydrophobicContact CB-CD1 3.82Å; A171-I255 HydrophobicContact CB-CG1 4.2Å; A171-L257 HydrophobicContact CB-CD1 3.99Å |
| 172 | E | 85 | Confident | 85.5 | Confident | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.2 | -159 | 67.2 | -156 | 0 | 0 | 111.9 | R168 L169 M170 D175 F176 K293 | R168-E172 PolarHBondContact O-N 3Å; L169-E172 PolarHBondContact O-N 3.48Å; L169-E172 VanDerWaalsContact O-N 3.16Å; M170-E172 VanDerWaalsContact C-N 3.34Å; E172-D175 PolarHBondContact O-N 3.18Å; E172-F176 WeakPolarHBondContact O-CB 3.18Å; E172-F176 PolarHBondContact O-N 3.06Å; E172-K293 WeakPolarHBondContact OE1-CE 3.46Å; E172-K293 IonicContact OE1-NZ 2.75Å; E172-K293 PolarHBondContact OE1-NZ 2.82Å; E172-K293 WeakPolarHBondContact OE2-CE 3.43Å; E172-K293 IonicContact OE2-NZ 2.99Å; E172-K293 PolarHBondContact OE2-NZ 2.85Å |
| 173 | M | 83.4 | Confident | 85.4 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 173.7 | -71.8 | -58.2 | -61 | 0 | 0 | 111.4 | L169 M170 F176 F177 | L169-M173 HydrophobicContact CD1-CG 4.42Å; L169-M173 HydrophobicContact CG-CG 4.39Å; L169-M173 WeakPolarHBondContact O-CG 3.45Å; L169-M173 PolarHBondContact O-N 3.48Å; M170-M173 PolarHBondContact O-N 3.24Å; M173-F176 WeakPolarHBondContact O-CB 3.45Å; M173-F176 PolarHBondContact O-N 2.94Å; M173-F177 HydrophobicContact CE-CE2 3.95Å; M173-F177 HydrophobicContact CE-CZ 4.18Å; M173-F177 WeakPolarHBondContact O-CD2 3.16Å; M173-F177 PolarHBondContact O-N 3.25Å |
| 174 | V | 88.6 | Confident | 85.3 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.5 | 174 | 0 | 0 | 0 | 0 | 110.8 | M170 A171 F176 F177 I178 L254 | M170-V174 VanDerWaalsContact O-CG2 3.29Å; M170-V174 WeakPolarHBondContact O-CG2 3.46Å; M170-V174 PolarHBondContact O-N 3.06Å; A171-V174 PolarHBondContact O-N 3.23Å; V174-F176 VanDerWaalsContact C-N 3.29Å; V174-F176 PolarHBondContact O-N 3.42Å; V174-F177 PolarHBondContact O-N 3.04Å; V174-I178 HydrophobicContact CG1-CD1 3.76Å; V174-I178 HydrophobicContact CG1-CG1 4.37Å; V174-I178 VanDerWaalsContact O-CG1 3.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.43Å; V174-I178 PolarHBondContact O-N 3.27Å; V174-L254 HydrophobicContact CG1-CD1 3.7Å |
| 175 | D | 88.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 174.4 | -84.4 | -43.3 | 0 | 0 | 0 | 111.9 | A171 E172 I178 L179 T249 G251 K252 | A171-D175 PolarHBondContact O-N 3.12Å; E172-D175 PolarHBondContact O-N 3.18Å; D175-I178 PolarHBondContact O-N 3.49Å; D175-L179 WeakPolarHBondContact O-CB 3.49Å; D175-L179 WeakPolarHBondContact O-CG 3.28Å; D175-L179 PolarHBondContact O-N 3Å; D175-T249 WeakPolarHBondContact OD1-CB 3.3Å; D175-T249 WeakPolarHBondContact OD2-CB 3.48Å; D175-T249 PolarHBondContact OD2-OG1 3.42Å; D175-G251 VanDerWaalsContact CG-N 3.33Å; D175-G251 WeakPolarHBondContact OD1-CA 3.27Å; D175-G251 PolarHBondContact OD1-N 2.9Å; D175-K252 PolarHBondContact OD2-N 2.92Å |
| 176 | F | 85.6 | Confident | 85.6 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.2 | 174.3 | -99.2 | 0 | 0 | 0 | 111.9 | E172 M173 V174 L179 F180 | E172-F176 WeakPolarHBondContact O-CB 3.18Å; E172-F176 PolarHBondContact O-N 3.06Å; M173-F176 WeakPolarHBondContact O-CB 3.45Å; M173-F176 PolarHBondContact O-N 2.94Å; V174-F176 VanDerWaalsContact C-N 3.29Å; V174-F176 PolarHBondContact O-N 3.42Å; F176-L179 PolarHBondContact O-N 3.39Å; F176-F180 WeakPolarHBondContact O-CB 3.21Å; F176-F180 PolarHBondContact O-N 2.99Å |
| 177 | F | 86.2 | Confident | 85.6 | Confident | 103 Ų | 103 | 67.2 Ų | 67.2 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.1 | -74.4 | -61.6 | 0 | 0 | 0 | 112.1 | M173 V174 F180 F181 | M173-F177 HydrophobicContact CE-CE2 3.95Å; M173-F177 HydrophobicContact CE-CZ 4.18Å; M173-F177 WeakPolarHBondContact O-CD2 3.16Å; M173-F177 PolarHBondContact O-N 3.25Å; V174-F177 PolarHBondContact O-N 3.04Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.47Å; F177-F181 HydrophobicContact CB-CE2 4.42Å; F177-F181 WeakPolarHBondContact O-CD2 3.28Å; F177-F181 PolarHBondContact O-N 2.63Å |
| 178 | I | 89.2 | Confident | 85.4 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 177.9 | -69.1 | 168.1 | 0 | 0 | 0 | 110.2 | V174 D175 F180 F181 I182 P250 L254 | V174-I178 HydrophobicContact CG1-CD1 3.76Å; V174-I178 HydrophobicContact CG1-CG1 4.37Å; V174-I178 VanDerWaalsContact O-CG1 3.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.43Å; V174-I178 PolarHBondContact O-N 3.27Å; D175-I178 PolarHBondContact O-N 3.49Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.26Å; I178-F181 PolarHBondContact O-N 3.33Å; I178-I182 HydrophobicContact CG2-CD1 3.77Å; I178-I182 VanDerWaalsContact O-CG1 3.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 3.35Å; I178-P250 HydrophobicContact CD1-CB 3.94Å; I178-L254 HydrophobicContact CD1-CD1 4.03Å |
| 179 | L | 86.7 | Confident | 85.1 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 178.9 | -72.1 | 175.5 | 0 | 0 | 0 | 112.2 | D175 F176 I182 K183 V234 Y237 | D175-L179 WeakPolarHBondContact O-CB 3.49Å; D175-L179 WeakPolarHBondContact O-CG 3.28Å; D175-L179 PolarHBondContact O-N 3Å; F176-L179 PolarHBondContact O-N 3.39Å; L179-I182 PolarHBondContact O-N 3.49Å; L179-K183 VanDerWaalsContact O-CB 3.23Å; L179-K183 WeakPolarHBondContact O-CB 3.19Å; L179-K183 PolarHBondContact O-N 3.18Å; L179-V234 HydrophobicContact CD1-CG1 4.06Å; L179-Y237 HydrophobicContact CD1-CD1 4.1Å; L179-Y237 HydrophobicContact CD1-CE1 3.92Å; L179-Y237 HydrophobicContact CD2-CD1 3.88Å; L179-Y237 HydrophobicContact CD2-CD2 4.25Å; L179-Y237 HydrophobicContact CD2-CE1 3.72Å; L179-Y237 HydrophobicContact CD2-CE2 4.09Å; L179-Y237 HydrophobicContact CD2-CG 4.1Å; L179-Y237 HydrophobicContact CG-CD1 4.47Å; L179-Y237 HydrophobicContact CG-CE1 4.05Å |
| 180 | F | 84.3 | Confident | 85 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 174.6 | 175.7 | -99.2 | 0 | 0 | 0 | 111.7 | F176 F177 I178 K183 A184 | F176-F180 WeakPolarHBondContact O-CB 3.21Å; F176-F180 PolarHBondContact O-N 2.99Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.47Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.26Å; F180-K183 PolarHBondContact O-N 2.75Å; F180-A184 WeakPolarHBondContact O-CB 3.23Å; F180-A184 PolarHBondContact O-N 2.67Å |
| 181 | F | 88.1 | Confident | 84.3 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -39.6 | 177.6 | -75.8 | -62.7 | 0 | 0 | 0 | 112.5 | F177 I178 A184 T185 | F177-F181 HydrophobicContact CB-CE2 4.42Å; F177-F181 WeakPolarHBondContact O-CD2 3.28Å; F177-F181 PolarHBondContact O-N 2.63Å; I178-F181 PolarHBondContact O-N 3.33Å; F181-A184 PolarHBondContact O-N 2.93Å; F181-T185 VanDerWaalsContact O-CB 3.29Å; F181-T185 WeakPolarHBondContact O-CB 3.45Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 3.38Å |
| 182 | I | 87.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 77 Ų | 77 | 43% | 0.426 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 174.3 | -68.2 | 167.3 | 0 | 0 | 0 | 109.9 | I178 L179 A184 T185 I186 | I178-I182 HydrophobicContact CG2-CD1 3.77Å; I178-I182 VanDerWaalsContact O-CG1 3.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 3.35Å; L179-I182 PolarHBondContact O-N 3.49Å; I182-A184 PolarHBondContact O-N 3.23Å; I182-T185 PolarHBondContact O-N 2.85Å; I182-I186 HydrophobicContact CG2-CD1 3.81Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.5Å |
| 183 | K | 83.1 | Confident | 83.2 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 177.4 | -177 | -177.9 | 178.5 | -175.5 | 0 | 111.5 | L179 F180 T185 I186 I187 | L179-K183 VanDerWaalsContact O-CB 3.23Å; L179-K183 WeakPolarHBondContact O-CB 3.19Å; L179-K183 PolarHBondContact O-N 3.18Å; F180-K183 PolarHBondContact O-N 2.75Å; K183-T185 VanDerWaalsContact C-N 3.34Å; K183-T185 PolarHBondContact O-N 2.83Å; K183-I186 PolarHBondContact O-N 2.97Å; K183-I187 HydrophobicContact CG-CD1 3.94Å; K183-I187 VanDerWaalsContact O-CG1 3.29Å; K183-I187 WeakPolarHBondContact O-CG1 3.41Å; K183-I187 PolarHBondContact O-N 3.35Å |
| 184 | A | 81.9 | Confident | 82.5 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F180 F181 I182 I186 I187 I188 | F180-A184 WeakPolarHBondContact O-CB 3.23Å; F180-A184 PolarHBondContact O-N 2.67Å; F181-A184 PolarHBondContact O-N 2.93Å; I182-A184 PolarHBondContact O-N 3.23Å; A184-I186 PolarHBondContact O-N 3.3Å; A184-I187 PolarHBondContact O-N 2.95Å; A184-I188 WeakPolarHBondContact O-CB 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.28Å; A184-I188 PolarHBondContact O-N 2.98Å |
| 185 | T | 85.9 | Confident | 81.3 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | F181 I182 K183 I188 S189 | F181-T185 VanDerWaalsContact O-CB 3.29Å; F181-T185 WeakPolarHBondContact O-CB 3.45Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 3.38Å; I182-T185 PolarHBondContact O-N 2.85Å; K183-T185 VanDerWaalsContact C-N 3.34Å; K183-T185 PolarHBondContact O-N 2.83Å; T185-I188 PolarHBondContact O-N 2.87Å; T185-S189 WeakPolarHBondContact O-CB 3.4Å; T185-S189 PolarHBondContact O-N 3.32Å; T185-S189 PolarHBondContact O-OG 2.59Å |
| 186 | I | 84.8 | Confident | 79.7 | Confident | 89 Ų | 89 | 85.1 Ų | 85.1 | 46% | 0.456 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.1 | -68.9 | 166.1 | 0 | 0 | 0 | 110.4 | I182 K183 A184 I188 S189 I190 | I182-I186 HydrophobicContact CG2-CD1 3.81Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.5Å; K183-I186 PolarHBondContact O-N 2.97Å; A184-I186 PolarHBondContact O-N 3.3Å; I186-I188 PolarHBondContact O-N 3.02Å; I186-S189 PolarHBondContact O-N 3.2Å; I186-I190 HydrophobicContact CG2-CD1 3.73Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.06Å |
| 187 | I | 80.9 | Confident | 78.3 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 41% | 0.41 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 178.4 | -67.6 | 166.1 | 0 | 0 | 0 | 110.6 | K183 A184 S189 I190 M191 | K183-I187 HydrophobicContact CG-CD1 3.94Å; K183-I187 VanDerWaalsContact O-CG1 3.29Å; K183-I187 WeakPolarHBondContact O-CG1 3.41Å; K183-I187 PolarHBondContact O-N 3.35Å; A184-I187 PolarHBondContact O-N 2.95Å; I187-S189 VanDerWaalsContact C-N 3.31Å; I187-S189 PolarHBondContact O-N 3.4Å; I187-I190 PolarHBondContact O-N 3.49Å; I187-M191 WeakPolarHBondContact O-CB 3.49Å; I187-M191 PolarHBondContact O-N 3.21Å |
| 188 | I | 81.6 | Confident | 76.9 | Confident | 98 Ų | 98 | 88.1 Ų | 88.1 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.8 | -68.1 | 165.6 | 0 | 0 | 0 | 110.9 | A184 T185 I186 M191 H192 | A184-I188 WeakPolarHBondContact O-CB 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.28Å; A184-I188 PolarHBondContact O-N 2.98Å; T185-I188 PolarHBondContact O-N 2.87Å; I186-I188 PolarHBondContact O-N 3.02Å; I188-M191 PolarHBondContact O-N 3.42Å; I188-H192 WeakPolarHBondContact O-CB 3.33Å; I188-H192 PolarHBondContact O-N 2.83Å |
| 189 | S | 80.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.8 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | T185 I186 I187 M191 H192 L193 | T185-S189 WeakPolarHBondContact O-CB 3.4Å; T185-S189 PolarHBondContact O-N 3.32Å; T185-S189 PolarHBondContact O-OG 2.59Å; I186-S189 PolarHBondContact O-N 3.2Å; I187-S189 VanDerWaalsContact C-N 3.31Å; I187-S189 PolarHBondContact O-N 3.4Å; S189-M191 VanDerWaalsContact C-N 3.35Å; S189-H192 PolarHBondContact O-N 2.85Å; S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.45Å; S189-L193 VanDerWaalsContact O-CG 3.23Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.88Å |
| 190 | I | 79.1 | Confident | 73.8 | Confident | 93 Ų | 93 | 92.6 Ų | 92.6 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.4 | -67.6 | 166.9 | 0 | 0 | 0 | 110.2 | I186 I187 H192 L193 S194 | I186-I190 HydrophobicContact CG2-CD1 3.73Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.06Å; I187-I190 PolarHBondContact O-N 3.49Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.37Å; I190-L193 PolarHBondContact O-N 3.32Å; I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.8Å; I190-S194 PolarHBondContact O-OG 3.46Å |
| 191 | M | 71.2 | Confident | 72.3 | Confident | 54 Ų | 54 | 94.1 Ų | 94.1 | 27% | 0.266 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 176.1 | -176.9 | 179 | 68.7 | 0 | 0 | 111.5 | I187 I188 S189 | I187-M191 WeakPolarHBondContact O-CB 3.49Å; I187-M191 PolarHBondContact O-N 3.21Å; I188-M191 PolarHBondContact O-N 3.42Å; S189-M191 VanDerWaalsContact C-N 3.35Å |
| 192 | H | 74.9 | Confident | 70.7 | Confident | 151 Ų | 151 | 91.5 Ų | 91.5 | 70% | 0.699 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.4 | -44.1 | 178.8 | -173.5 | -83.3 | 0 | 0 | 0 | 112.8 | I188 S189 I190 S194 G195 | I188-H192 WeakPolarHBondContact O-CB 3.33Å; I188-H192 PolarHBondContact O-N 2.83Å; S189-H192 PolarHBondContact O-N 2.85Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.37Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.43Å; H192-G195 PolarHBondContact O-N 3.31Å; H192-G195 VanDerWaalsContact O-N 3.16Å |
| 193 | L | 75 | Confident | 69.3 | Low | 147 Ų | 147 | 89.3 Ų | 89.3 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.8 | -29 | 179 | -71.9 | 172.3 | 0 | 0 | 0 | 112.8 | S189 I190 G195 | S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.45Å; S189-L193 VanDerWaalsContact O-CG 3.23Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.88Å; I190-L193 PolarHBondContact O-N 3.32Å; L193-G195 PolarHBondContact O-N 2.67Å |
| 194 | S | 68.8 | Low | 68 | Low | 65 Ų | 65 | 90.5 Ų | 90.5 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -1.5 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | I190 H192 I196 | I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.8Å; I190-S194 PolarHBondContact O-OG 3.46Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.43Å; S194-I196 PolarHBondContact O-N 3.22Å |
| 195 | G | 62.7 | Low | 66.8 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 12.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H192 L193 K197 | H192-G195 PolarHBondContact O-N 3.31Å; H192-G195 VanDerWaalsContact O-N 3.16Å; L193-G195 PolarHBondContact O-N 2.67Å; G195-K197 PolarHBondContact O-N 2.92Å; G195-K197 VanDerWaalsContact O-N 3.13Å |
| 196 | I | 56.4 | Low | 65.4 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 29% | 0.292 | 51% | 0.512 | S | S | . | . | trans | -88.9 | 92.3 | -175.1 | -59.6 | 158.5 | 0 | 0 | 0 | 108.1 | S194 D198 F202 | S194-I196 PolarHBondContact O-N 3.22Å; I196-D198 PolarHBondContact O-N 3.47Å; I196-F202 HydrophobicContact CB-CB 4.41Å; I196-F202 HydrophobicContact CB-CD2 4.43Å; I196-F202 HydrophobicContact CD1-CB 4.49Å; I196-F202 HydrophobicContact CD1-CD2 3.03Å; I196-F202 HydrophobicContact CD1-CE2 3.1Å; I196-F202 HydrophobicContact CD1-CG 3.81Å; I196-F202 HydrophobicContact CD1-CZ 3.96Å; I196-F202 HydrophobicContact CG1-CD2 4.2Å; I196-F202 HydrophobicContact CG2-CB 3.71Å; I196-F202 HydrophobicContact CG2-CD2 4.24Å; I196-F202 HydrophobicContact CG2-CG 4.24Å | ||
| 197 | K | 56.4 | Low | 64.1 | Low | 199 Ų | 199 | 95.9 Ų | 95.9 | 87% | 0.865 | 51% | 0.509 | S | S | * | . | trans | -75.3 | -14.2 | -179.9 | -152.2 | 173 | -179.3 | -178.1 | 0 | 112.8 | G195 V199 | G195-K197 PolarHBondContact O-N 2.92Å; G195-K197 VanDerWaalsContact O-N 3.13Å; K197-V199 PolarHBondContact O-N 2.71Å | ||
| 198 | D | 55.3 | Low | 62.7 | Low | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | trans | -90.7 | 85.8 | 172 | -71 | -28.3 | 0 | 0 | 0 | 109.5 | I196 S200 K201 F202 | I196-D198 PolarHBondContact O-N 3.47Å; D198-S200 PolarHBondContact O-N 3.26Å; D198-K201 HydrophobicContact CB-CB 3.98Å; D198-K201 HydrophobicContact CB-CD 4.41Å; D198-K201 HydrophobicContact CB-CG 4.36Å; D198-K201 PolarHBondContact O-N 2.84Å; D198-F202 PolarHBondContact O-N 3.47Å | ||
| 199 | V | 55.4 | Low | 61.3 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -46.2 | -35 | 170 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | K197 A203 | K197-V199 PolarHBondContact O-N 2.71Å; V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 3.47Å |
| 200 | S | 55.9 | Low | 59.9 | Low | 90 Ų | 90 | 98.7 Ų | 98.7 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.8 | -30 | 178.2 | -175 | 0 | 0 | 0 | 0 | 115.2 | D198 M204 | D198-S200 PolarHBondContact O-N 3.26Å; S200-M204 WeakPolarHBondContact O-CB 3.14Å; S200-M204 PolarHBondContact O-N 3.28Å |
| 201 | K | 53.3 | Low | 58.7 | Low | 139 Ų | 139 | 99.8 Ų | 99.8 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -87.7 | -34 | -179.2 | -88 | -179.9 | -179.5 | 164.7 | 0 | 112.6 | D198 H205 | D198-K201 HydrophobicContact CB-CB 3.98Å; D198-K201 HydrophobicContact CB-CD 4.41Å; D198-K201 HydrophobicContact CB-CG 4.36Å; D198-K201 PolarHBondContact O-N 2.84Å; K201-H205 WeakPolarHBondContact O-CB 3.01Å; K201-H205 PolarHBondContact O-N 3.45Å |
| 202 | F | 54.3 | Low | 57.6 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.8 | -41.5 | 172.5 | -147.1 | -116 | 0 | 0 | 0 | 111.4 | I196 D198 M204 H205 F206 | I196-F202 HydrophobicContact CB-CB 4.41Å; I196-F202 HydrophobicContact CB-CD2 4.43Å; I196-F202 HydrophobicContact CD1-CB 4.49Å; I196-F202 HydrophobicContact CD1-CD2 3.03Å; I196-F202 HydrophobicContact CD1-CE2 3.1Å; I196-F202 HydrophobicContact CD1-CG 3.81Å; I196-F202 HydrophobicContact CD1-CZ 3.96Å; I196-F202 HydrophobicContact CG1-CD2 4.2Å; I196-F202 HydrophobicContact CG2-CB 3.71Å; I196-F202 HydrophobicContact CG2-CD2 4.24Å; I196-F202 HydrophobicContact CG2-CG 4.24Å; D198-F202 PolarHBondContact O-N 3.47Å; F202-M204 VanDerWaalsContact C-N 3.34Å; F202-H205 PolarHBondContact O-N 2.98Å; F202-F206 WeakPolarHBondContact O-CB 3.29Å; F202-F206 PolarHBondContact O-N 3.5Å |
| 203 | A | 58.7 | Low | 56.6 | Low | 36 Ų | 36 | 102.6 Ų | 102.6 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V199 H205 F206 I207 | V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 3.47Å; A203-H205 PolarHBondContact O-N 3.31Å; A203-F206 PolarHBondContact O-N 2.92Å; A203-I207 HydrophobicContact CB-CD1 3.89Å; A203-I207 WeakPolarHBondContact O-CA 3.5Å; A203-I207 WeakPolarHBondContact O-CB 3.39Å; A203-I207 WeakPolarHBondContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.41Å |
| 204 | M | 54.9 | Low | 55.4 | Low | 121 Ų | 121 | 102.8 Ų | 102.8 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.7 | -33.9 | 177.9 | -167.9 | 171.6 | 105 | 0 | 0 | 113.5 | S200 F202 V208 | S200-M204 WeakPolarHBondContact O-CB 3.14Å; S200-M204 PolarHBondContact O-N 3.28Å; F202-M204 VanDerWaalsContact C-N 3.34Å; M204-V208 HydrophobicContact CG-CG2 3.85Å; M204-V208 WeakPolarHBondContact O-CA 3.14Å; M204-V208 WeakPolarHBondContact O-CB 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 2.98Å; M204-V208 PolarHBondContact O-N 3.36Å |
| 205 | H | 56.3 | Low | 54.6 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.1 | -38.2 | 175.1 | -169.8 | -77.9 | 0 | 0 | 0 | 112.6 | K201 F202 A203 E209 | K201-H205 WeakPolarHBondContact O-CB 3.01Å; K201-H205 PolarHBondContact O-N 3.45Å; F202-H205 PolarHBondContact O-N 2.98Å; A203-H205 PolarHBondContact O-N 3.31Å; H205-E209 VanDerWaalsContact CE1-CD 3.41Å; H205-E209 IonicContact CE1-OE1 2.67Å; H205-E209 IonicContact CE1-OE2 3.92Å; H205-E209 PolarHBondContact CE1-OE2 3.27Å; H205-E209 IonicContact ND1-OE2 3.11Å; H205-E209 PolarHBondContact ND1-OE2 3.43Å; H205-E209 VanDerWaalsContact O-CB 3.27Å; H205-E209 WeakPolarHBondContact O-CB 3.26Å; H205-E209 PolarHBondContact O-N 2.94Å |
| 206 | F | 56.7 | Low | 54.5 | Low | 120 Ų | 120 | 103.2 Ų | 103.2 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 175.8 | -169.6 | -92.3 | 0 | 0 | 0 | 111.1 | F202 A203 E210 | F202-F206 WeakPolarHBondContact O-CB 3.29Å; F202-F206 PolarHBondContact O-N 3.5Å; A203-F206 PolarHBondContact O-N 2.92Å; F206-E210 WeakPolarHBondContact O-CB 3.37Å; F206-E210 PolarHBondContact O-N 2.95Å |
| 207 | I | 56.5 | Low | 54.7 | Low | 78 Ų | 78 | 107.2 Ų | 107.2 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.8 | -32.8 | 174.1 | -65.2 | 167.7 | 0 | 0 | 0 | 110.8 | A203 E210 I211 | A203-I207 HydrophobicContact CB-CD1 3.89Å; A203-I207 WeakPolarHBondContact O-CA 3.5Å; A203-I207 WeakPolarHBondContact O-CB 3.39Å; A203-I207 WeakPolarHBondContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.41Å; I207-E210 CarbonylContact O-C 3.6Å; I207-E210 PolarHBondContact O-N 3.41Å; I207-I211 HydrophobicContact CG2-CD1 3.39Å; I207-I211 HydrophobicContact CG2-CG1 4.06Å; I207-I211 WeakPolarHBondContact O-CA 3.26Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 WeakPolarHBondContact O-CG1 3.08Å; I207-I211 PolarHBondContact O-N 2.95Å |
| 208 | V | 51.7 | Low | 55.5 | Low | 73 Ų | 73 | 104 Ų | 104 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.3 | -34.3 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | M204 E210 I211 D212 | M204-V208 HydrophobicContact CG-CG2 3.85Å; M204-V208 WeakPolarHBondContact O-CA 3.14Å; M204-V208 WeakPolarHBondContact O-CB 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 2.98Å; M204-V208 PolarHBondContact O-N 3.36Å; V208-E210 PolarHBondContact O-N 3.3Å; V208-I211 CarbonylContact O-C 3.56Å; V208-I211 PolarHBondContact O-N 3.34Å; V208-D212 WeakPolarHBondContact O-CA 3.43Å; V208-D212 WeakPolarHBondContact O-CB 3.23Å; V208-D212 PolarHBondContact O-N 2.99Å |
| 209 | E | 53.3 | Low | 56 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -68.3 | -20.4 | 165.9 | -90.4 | -178.5 | 128.4 | 0 | 0 | 112.6 | H205 | H205-E209 VanDerWaalsContact CE1-CD 3.41Å; H205-E209 IonicContact CE1-OE1 2.67Å; H205-E209 IonicContact CE1-OE2 3.92Å; H205-E209 PolarHBondContact CE1-OE2 3.27Å; H205-E209 IonicContact ND1-OE2 3.11Å; H205-E209 PolarHBondContact ND1-OE2 3.43Å; H205-E209 VanDerWaalsContact O-CB 3.27Å; H205-E209 WeakPolarHBondContact O-CB 3.26Å; H205-E209 PolarHBondContact O-N 2.94Å |
| 210 | E | 51.7 | Low | 56.5 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -95.1 | -9.6 | 175.5 | -164.2 | 169.5 | -150.7 | 0 | 0 | 112.2 | F206 I207 V208 | F206-E210 WeakPolarHBondContact O-CB 3.37Å; F206-E210 PolarHBondContact O-N 2.95Å; I207-E210 CarbonylContact O-C 3.6Å; I207-E210 PolarHBondContact O-N 3.41Å; V208-E210 PolarHBondContact O-N 3.3Å |
| 211 | I | 53.8 | Low | 57.2 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -138.9 | 41 | 179.7 | -45.8 | 174.1 | 0 | 0 | 0 | 109.7 | I207 V208 | I207-I211 HydrophobicContact CG2-CD1 3.39Å; I207-I211 HydrophobicContact CG2-CG1 4.06Å; I207-I211 WeakPolarHBondContact O-CA 3.26Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 WeakPolarHBondContact O-CG1 3.08Å; I207-I211 PolarHBondContact O-N 2.95Å; V208-I211 CarbonylContact O-C 3.56Å; V208-I211 PolarHBondContact O-N 3.34Å |
| 212 | D | 48.2 | Very low | 58.2 | Low | 86 Ų | 86 | 102.8 Ų | 102.8 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | trans | -90.2 | 119.1 | 167.3 | -158.6 | 12.6 | 0 | 0 | 0 | 107.7 | V208 D214 | V208-D212 WeakPolarHBondContact O-CA 3.43Å; V208-D212 WeakPolarHBondContact O-CB 3.23Å; V208-D212 PolarHBondContact O-N 2.99Å; D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.09Å | ||
| 213 | E | 52.8 | Low | 59 | Low | 178 Ų | 178 | 104.3 Ų | 104.3 | 83% | 0.832 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 3.4 | -158.2 | -149.2 | 162.5 | 168.2 | 0 | 0 | 112.8 | ||
| 214 | D | 50.8 | Low | 59.7 | Low | 150 Ų | 150 | 108.7 Ų | 108.7 | 80% | 0.802 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | 3.3 | -171.7 | -74.7 | -44.1 | 0 | 0 | 0 | 117.2 | D212 | D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.09Å |
| 215 | T | 51.8 | Low | 60.8 | Low | 42 Ų | 42 | 107.7 Ų | 107.7 | 26% | 0.258 | 54% | 0.54 | S | S | . | . | trans | -111.7 | 45.7 | -178.7 | -43.8 | 0 | 0 | 0 | 0 | 113.5 | M217 E218 E219 | T215-M217 PolarHBondContact O-N 2.82Å; T215-E218 HydrophobicContact CG2-CB 4.27Å; T215-E219 VanDerWaalsContact CB-OE1 3.28Å; T215-E219 WeakPolarHBondContact CB-OE1 3.3Å; T215-E219 HydrophobicContact CG2-CG 3.81Å; T215-E219 WeakPolarHBondContact O-CB 3.21Å; T215-E219 PolarHBondContact O-N 3.46Å; T215-E219 PolarHBondContact OG1-OE1 2.82Å | ||
| 216 | S | 60 | Low | 61.8 | Low | 94 Ų | 94 | 106 Ų | 106 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | -156.4 | 64.5 | 0 | 0 | 0 | 0 | 119.6 | L220 | S216-L220 VanDerWaalsContact O-CB 3.24Å; S216-L220 WeakPolarHBondContact O-CB 3.31Å |
| 217 | M | 60.8 | Low | 62.7 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 70% | 0.7 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -38.7 | -179.2 | -70.5 | -64.5 | -171 | 0 | 0 | 113.6 | T215 Q221 | T215-M217 PolarHBondContact O-N 2.82Å; M217-Q221 VanDerWaalsContact O-CB 3.24Å; M217-Q221 WeakPolarHBondContact O-CB 3.06Å; M217-Q221 PolarHBondContact O-N 3.32Å |
| 218 | E | 73.6 | Confident | 63.8 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.2 | -38.2 | -177.9 | -67.2 | 166.2 | -173 | 0 | 0 | 111 | T215 Q221 K222 | T215-E218 HydrophobicContact CG2-CB 4.27Å; E218-Q221 PolarHBondContact O-N 2.83Å; E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 WeakPolarHBondContact O-CG 3.29Å; E218-K222 PolarHBondContact O-N 3.31Å |
| 219 | E | 65.6 | Low | 65.4 | Low | 37 Ų | 37 | 102.4 Ų | 102.4 | 17% | 0.173 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -72.8 | -36.9 | 173.7 | -75.7 | 174.1 | -170.2 | 0 | 0 | 112.3 | T215 Q221 K222 M223 | T215-E219 VanDerWaalsContact CB-OE1 3.28Å; T215-E219 WeakPolarHBondContact CB-OE1 3.3Å; T215-E219 HydrophobicContact CG2-CG 3.81Å; T215-E219 WeakPolarHBondContact O-CB 3.21Å; T215-E219 PolarHBondContact O-N 3.46Å; T215-E219 PolarHBondContact OG1-OE1 2.82Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.93Å; E219-K222 HydrophobicContact CG-CD 4.49Å; E219-K222 PolarHBondContact O-N 2.94Å; E219-M223 WeakPolarHBondContact O-CB 3.29Å; E219-M223 PolarHBondContact O-N 3.36Å |
| 220 | L | 65.6 | Low | 66.8 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 170.6 | -176.5 | 63.3 | 0 | 0 | 0 | 111.1 | S216 M223 M224 | S216-L220 VanDerWaalsContact O-CB 3.24Å; S216-L220 WeakPolarHBondContact O-CB 3.31Å; L220-M223 PolarHBondContact O-N 2.88Å; L220-M224 VanDerWaalsContact O-CB 3.27Å; L220-M224 WeakPolarHBondContact O-CB 3.01Å; L220-M224 PolarHBondContact O-N 3.19Å |
| 221 | Q | 71.6 | Confident | 68.4 | Low | 127 Ų | 127 | 99.9 Ų | 99.9 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | 174.5 | -175.9 | 178.8 | -39.8 | 0 | 0 | 112 | M217 E218 E219 M224 L225 | M217-Q221 VanDerWaalsContact O-CB 3.24Å; M217-Q221 WeakPolarHBondContact O-CB 3.06Å; M217-Q221 PolarHBondContact O-N 3.32Å; E218-Q221 PolarHBondContact O-N 2.83Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.93Å; Q221-M224 PolarHBondContact O-N 3.16Å; Q221-L225 VanDerWaalsContact O-CB 3.22Å; Q221-L225 WeakPolarHBondContact O-CB 3.44Å; Q221-L225 PolarHBondContact O-N 2.85Å |
| 222 | K | 73.8 | Confident | 69.9 | Low | 117 Ų | 117 | 97.4 Ų | 97.4 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.3 | -73.6 | 166.7 | -169.8 | 171.1 | 0 | 111.2 | E218 E219 L225 V226 | E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 WeakPolarHBondContact O-CG 3.29Å; E218-K222 PolarHBondContact O-N 3.31Å; E219-K222 HydrophobicContact CG-CD 4.49Å; E219-K222 PolarHBondContact O-N 2.94Å; K222-L225 PolarHBondContact O-N 3.43Å; K222-V226 WeakPolarHBondContact O-CB 3.24Å; K222-V226 VanDerWaalsContact O-CG2 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3Å |
| 223 | M | 70.1 | Confident | 71.7 | Confident | 108 Ų | 108 | 98 Ų | 98 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.7 | -168.1 | -162.8 | -167 | 0 | 0 | 110.9 | E219 L220 L225 V226 A227 | E219-M223 WeakPolarHBondContact O-CB 3.29Å; E219-M223 PolarHBondContact O-N 3.36Å; L220-M223 PolarHBondContact O-N 2.88Å; M223-L225 PolarHBondContact O-N 3.49Å; M223-V226 PolarHBondContact O-N 3.35Å; M223-A227 VanDerWaalsContact O-CB 3.29Å; M223-A227 WeakPolarHBondContact O-CB 3.31Å; M223-A227 PolarHBondContact O-N 2.82Å |
| 224 | M | 74.3 | Confident | 73.4 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 176 | -175.4 | 178.5 | 63.8 | 0 | 0 | 111.9 | L220 Q221 A227 L228 | L220-M224 VanDerWaalsContact O-CB 3.27Å; L220-M224 WeakPolarHBondContact O-CB 3.01Å; L220-M224 PolarHBondContact O-N 3.19Å; Q221-M224 PolarHBondContact O-N 3.16Å; M224-A227 PolarHBondContact O-N 3.12Å; M224-L228 VanDerWaalsContact O-CB 3.23Å; M224-L228 WeakPolarHBondContact O-CB 3.23Å; M224-L228 PolarHBondContact O-N 3.41Å |
| 225 | L | 78 | Confident | 75.2 | Confident | 100 Ų | 100 | 84.8 Ų | 84.8 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 177.5 | -179 | 67.3 | 0 | 0 | 0 | 111 | Q221 K222 M223 A227 L228 V229 | Q221-L225 VanDerWaalsContact O-CB 3.22Å; Q221-L225 WeakPolarHBondContact O-CB 3.44Å; Q221-L225 PolarHBondContact O-N 2.85Å; K222-L225 PolarHBondContact O-N 3.43Å; M223-L225 PolarHBondContact O-N 3.49Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-L228 WeakPolarHBondContact O-CB 3.37Å; L225-L228 PolarHBondContact O-N 3.5Å; L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.41Å |
| 226 | V | 77.7 | Confident | 77.1 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | K222 M223 L228 V229 Y230 | K222-V226 WeakPolarHBondContact O-CB 3.24Å; K222-V226 VanDerWaalsContact O-CG2 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3Å; M223-V226 PolarHBondContact O-N 3.35Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.31Å; V226-V229 PolarHBondContact O-N 3.15Å; V226-Y230 HydrophobicContact CG1-CD2 3.73Å; V226-Y230 HydrophobicContact CG1-CE2 3.46Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.46Å; V226-Y230 WeakPolarHBondContact O-CD2 3.35Å; V226-Y230 PolarHBondContact O-N 3.21Å |
| 227 | A | 75.4 | Confident | 78.6 | Confident | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | M223 M224 L225 Y230 R231 | M223-A227 VanDerWaalsContact O-CB 3.29Å; M223-A227 WeakPolarHBondContact O-CB 3.31Å; M223-A227 PolarHBondContact O-N 2.82Å; M224-A227 PolarHBondContact O-N 3.12Å; L225-A227 VanDerWaalsContact C-N 3.34Å; A227-Y230 PolarHBondContact O-N 3.1Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.29Å; A227-R231 PolarHBondContact O-N 3.02Å |
| 228 | L | 80.6 | Confident | 80 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.7 | -179.4 | 65.4 | 0 | 0 | 0 | 112 | M224 L225 V226 Y230 R231 I232 F295 | M224-L228 VanDerWaalsContact O-CB 3.23Å; M224-L228 WeakPolarHBondContact O-CB 3.23Å; M224-L228 PolarHBondContact O-N 3.41Å; L225-L228 WeakPolarHBondContact O-CB 3.37Å; L225-L228 PolarHBondContact O-N 3.5Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.31Å; L228-Y230 PolarHBondContact O-N 3.44Å; L228-R231 WeakPolarHBondContact O-CB 3.16Å; L228-R231 PolarHBondContact O-N 2.8Å; L228-R231 VanDerWaalsContact O-N 3.12Å; L228-I232 HydrophobicContact CD1-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 4.04Å; L228-I232 WeakPolarHBondContact O-CG1 3.38Å; L228-I232 PolarHBondContact O-N 3.35Å; L228-F295 HydrophobicContact CD1-CE1 3.76Å; L228-F295 HydrophobicContact CD1-CZ 4.15Å |
| 229 | V | 83.8 | Confident | 80.9 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | L225 V226 R231 I232 L233 | L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.41Å; V226-V229 PolarHBondContact O-N 3.15Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.34Å; V229-I232 WeakPolarHBondContact O-CB 3.28Å; V229-I232 PolarHBondContact O-N 2.79Å; V229-I232 VanDerWaalsContact O-N 3.17Å; V229-L233 HydrophobicContact CG1-CD1 4.37Å; V229-L233 WeakPolarHBondContact O-CG 2.88Å; V229-L233 PolarHBondContact O-N 3.31Å |
| 230 | Y | 82.9 | Confident | 82.1 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 174.8 | -78.3 | -61.7 | 0 | 0 | 0 | 112.1 | V226 A227 L228 L233 V234 | V226-Y230 HydrophobicContact CG1-CD2 3.73Å; V226-Y230 HydrophobicContact CG1-CE2 3.46Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.46Å; V226-Y230 WeakPolarHBondContact O-CD2 3.35Å; V226-Y230 PolarHBondContact O-N 3.21Å; A227-Y230 PolarHBondContact O-N 3.1Å; L228-Y230 PolarHBondContact O-N 3.44Å; Y230-L233 HydrophobicContact CD1-CD1 4.34Å; Y230-L233 PolarHBondContact O-N 3.21Å; Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.26Å |
| 231 | R | 84.8 | Confident | 83.3 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 174.7 | -73.4 | -75.2 | -177.6 | 157.2 | -0.9 | 112.3 | A227 L228 V229 L233 V234 C235 N294 | A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.29Å; A227-R231 PolarHBondContact O-N 3.02Å; L228-R231 WeakPolarHBondContact O-CB 3.16Å; L228-R231 PolarHBondContact O-N 2.8Å; L228-R231 VanDerWaalsContact O-N 3.12Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.34Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.12Å; R231-V234 PolarHBondContact O-N 3.45Å; R231-C235 PolarHBondContact O-N 2.87Å; R231-C235 PolarHBondContact O-SG 3.39Å; R231-N294 PolarHBondContact NH1-O 3.43Å |
| 232 | I | 85.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.4 | -70.3 | 167.4 | 0 | 0 | 0 | 110.5 | L228 V229 V234 C235 F236 | L228-I232 HydrophobicContact CD1-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 4.04Å; L228-I232 WeakPolarHBondContact O-CG1 3.38Å; L228-I232 PolarHBondContact O-N 3.35Å; V229-I232 WeakPolarHBondContact O-CB 3.28Å; V229-I232 PolarHBondContact O-N 2.79Å; V229-I232 VanDerWaalsContact O-N 3.17Å; I232-V234 PolarHBondContact O-N 2.92Å; I232-C235 VanDerWaalsContact O-CB 3.31Å; I232-C235 WeakPolarHBondContact O-CB 3.28Å; I232-C235 PolarHBondContact O-N 3.43Å; I232-F236 HydrophobicContact CG2-CD2 3.64Å; I232-F236 HydrophobicContact CG2-CE2 3.35Å; I232-F236 HydrophobicContact CG2-CZ 4.5Å; I232-F236 WeakPolarHBondContact O-CD2 3.49Å; I232-F236 PolarHBondContact O-N 2.93Å |
| 233 | L | 87.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 175.9 | -69.2 | 173.9 | 0 | 0 | 0 | 112.3 | V229 Y230 R231 C235 F236 Y237 | V229-L233 HydrophobicContact CG1-CD1 4.37Å; V229-L233 WeakPolarHBondContact O-CG 2.88Å; V229-L233 PolarHBondContact O-N 3.31Å; Y230-L233 HydrophobicContact CD1-CD1 4.34Å; Y230-L233 PolarHBondContact O-N 3.21Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.12Å; L233-C235 VanDerWaalsContact C-N 3.33Å; L233-C235 PolarHBondContact O-N 3.49Å; L233-F236 PolarHBondContact O-N 3.16Å; L233-Y237 PolarHBondContact O-N 3.29Å |
| 234 | V | 87.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L179 Y230 R231 I232 Y237 E238 N294 | L179-V234 HydrophobicContact CD1-CG1 4.06Å; Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.26Å; R231-V234 PolarHBondContact O-N 3.45Å; I232-V234 PolarHBondContact O-N 2.92Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 2.83Å; V234-E238 PolarHBondContact O-N 2.71Å; V234-N294 VanDerWaalsContact CG1-OD1 3.27Å; V234-N294 WeakPolarHBondContact CG1-OD1 3.33Å |
| 235 | C | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.027 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 172.5 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | R231 I232 L233 Y237 E238 I239 L291 N294 | R231-C235 PolarHBondContact O-N 2.87Å; R231-C235 PolarHBondContact O-SG 3.39Å; I232-C235 VanDerWaalsContact O-CB 3.31Å; I232-C235 WeakPolarHBondContact O-CB 3.28Å; I232-C235 PolarHBondContact O-N 3.43Å; L233-C235 VanDerWaalsContact C-N 3.33Å; L233-C235 PolarHBondContact O-N 3.49Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.31Å; C235-E238 PolarHBondContact O-N 2.97Å; C235-I239 WeakPolarHBondContact O-CG1 3.31Å; C235-I239 PolarHBondContact O-N 2.96Å; C235-L291 HydrophobicContact CB-CD2 4.1Å; C235-N294 WeakPolarHBondContact SG-CB 3.14Å |
| 236 | F | 91 | Very high | 86.6 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.9 | -81.6 | -65.8 | 0 | 0 | 0 | 112 | I232 L233 E238 I239 V240 | I232-F236 HydrophobicContact CG2-CD2 3.64Å; I232-F236 HydrophobicContact CG2-CE2 3.35Å; I232-F236 HydrophobicContact CG2-CZ 4.5Å; I232-F236 WeakPolarHBondContact O-CD2 3.49Å; I232-F236 PolarHBondContact O-N 2.93Å; L233-F236 PolarHBondContact O-N 3.16Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 2.85Å; F236-I239 PolarHBondContact O-N 3.48Å; F236-V240 VanDerWaalsContact O-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3.37Å |
| 237 | Y | 91.5 | Very high | 87.1 | Confident | 60 Ų | 60 | 56 Ų | 56 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56 | -47.5 | 174.2 | 166.9 | -95.8 | 0 | 0 | 0 | 111.9 | L179 L233 V234 C235 V240 C241 T249 P250 | L179-Y237 HydrophobicContact CD1-CD1 4.1Å; L179-Y237 HydrophobicContact CD1-CE1 3.92Å; L179-Y237 HydrophobicContact CD2-CD1 3.88Å; L179-Y237 HydrophobicContact CD2-CD2 4.25Å; L179-Y237 HydrophobicContact CD2-CE1 3.72Å; L179-Y237 HydrophobicContact CD2-CE2 4.09Å; L179-Y237 HydrophobicContact CD2-CG 4.1Å; L179-Y237 HydrophobicContact CG-CD1 4.47Å; L179-Y237 HydrophobicContact CG-CE1 4.05Å; L233-Y237 PolarHBondContact O-N 3.29Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 2.83Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.31Å; Y237-V240 PolarHBondContact O-N 3.37Å; Y237-C241 WeakPolarHBondContact O-CB 3.37Å; Y237-C241 PolarHBondContact O-N 3.43Å; Y237-C241 PolarHBondContact O-SG 3.49Å; Y237-T249 HydrophobicContact CE1-CG2 4.49Å; Y237-P250 HydrophobicContact CE2-CG 4.5Å; Y237-P250 WeakPolarHBondContact OH-CD 3.22Å; Y237-P250 WeakPolarHBondContact OH-CG 3.29Å |
| 238 | E | 90.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 179.2 | -175.1 | 162.8 | -167.3 | 0 | 0 | 111.9 | V234 C235 F236 V240 C241 I242 T249 R289 A290 K293 N294 | V234-E238 PolarHBondContact O-N 2.71Å; C235-E238 PolarHBondContact O-N 2.97Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 2.85Å; E238-V240 PolarHBondContact O-N 2.9Å; E238-C241 PolarHBondContact O-N 3.29Å; E238-I242 HydrophobicContact CG-CG1 4.01Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.22Å; E238-I242 WeakPolarHBondContact O-CG1 3.47Å; E238-I242 PolarHBondContact O-N 3.41Å; E238-T249 HydrophobicContact CB-CG2 4.49Å; E238-T249 HydrophobicContact CG-CG2 3.99Å; E238-R289 IonicContact OE1-CZ 3.7Å; E238-R289 IonicContact OE1-NH1 2.84Å; E238-R289 PolarHBondContact OE1-NH1 2.66Å; E238-R289 IonicContact OE1-NH2 3.81Å; E238-A290 HydrophobicContact CB-CB 4.03Å; E238-A290 HydrophobicContact CG-CB 4.08Å; E238-K293 VanDerWaalsContact OE1-CD 3.29Å; E238-K293 WeakPolarHBondContact OE1-CD 3.23Å; E238-K293 IonicContact OE1-NZ 3.39Å; E238-K293 PolarHBondContact OE1-NZ 3.38Å; E238-K293 IonicContact OE2-NZ 2.98Å; E238-K293 PolarHBondContact OE2-NZ 3.43Å; E238-N294 PolarHBondContact OE2-ND2 2.89Å |
| 239 | I | 91.7 | Very high | 88.3 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -52.4 | 175 | -70.3 | 165.8 | 0 | 0 | 0 | 110 | C235 F236 C241 I242 W243 L283 T287 A290 | C235-I239 WeakPolarHBondContact O-CG1 3.31Å; C235-I239 PolarHBondContact O-N 2.96Å; F236-I239 PolarHBondContact O-N 3.48Å; I239-C241 VanDerWaalsContact C-N 3.33Å; I239-C241 PolarHBondContact O-N 3.43Å; I239-I242 PolarHBondContact O-N 2.85Å; I239-W243 VanDerWaalsContact O-CB 3.28Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.13Å; I239-L283 HydrophobicContact CG2-CD1 3.73Å; I239-T287 HydrophobicContact CD1-CG2 4.03Å; I239-A290 HydrophobicContact CD1-CB 4.34Å; I239-A290 HydrophobicContact CG1-CB 3.68Å |
| 240 | V | 91.7 | Very high | 88.6 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -62.1 | -40.8 | -179.2 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | F236 Y237 E238 G244 A245 | F236-V240 VanDerWaalsContact O-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3.37Å; Y237-V240 PolarHBondContact O-N 3.37Å; E238-V240 PolarHBondContact O-N 2.9Å; V240-G244 CarbonylContact O-C 3.59Å; V240-G244 WeakPolarHBondContact O-CA 3.34Å; V240-G244 PolarHBondContact O-N 3.46Å; V240-A245 PolarHBondContact O-N 3.14Å; V240-A245 VanDerWaalsContact O-N 3.1Å |
| 241 | C | 91.8 | Very high | 89 | Confident | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -67.6 | -40.4 | 178.8 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | Y237 E238 I239 A245 G247 A248 T249 | Y237-C241 WeakPolarHBondContact O-CB 3.37Å; Y237-C241 PolarHBondContact O-N 3.43Å; Y237-C241 PolarHBondContact O-SG 3.49Å; E238-C241 PolarHBondContact O-N 3.29Å; I239-C241 VanDerWaalsContact C-N 3.33Å; I239-C241 PolarHBondContact O-N 3.43Å; C241-A245 CarbonylContact O-C 3.48Å; C241-A245 WeakPolarHBondContact O-CA 3.48Å; C241-A245 VanDerWaalsContact O-CB 3.31Å; C241-A245 WeakPolarHBondContact O-CB 3.2Å; C241-A245 PolarHBondContact O-N 3.11Å; C241-G247 PolarHBondContact O-N 2.78Å; C241-A248 PolarHBondContact O-N 2.82Å; C241-T249 HydrophobicContact CB-CG2 3.96Å |
| 242 | I | 91.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -79.4 | -45.8 | -176.7 | -62.5 | -58.7 | 0 | 0 | 0 | 111.4 | E238 I239 G247 T249 V259 V281 | E238-I242 HydrophobicContact CG-CG1 4.01Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.22Å; E238-I242 WeakPolarHBondContact O-CG1 3.47Å; E238-I242 PolarHBondContact O-N 3.41Å; I239-I242 PolarHBondContact O-N 2.85Å; I242-G247 WeakPolarHBondContact O-CA 3.38Å; I242-G247 PolarHBondContact O-N 3.49Å; I242-T249 HydrophobicContact CD1-CG2 4.32Å; I242-V259 HydrophobicContact CD1-CB 4.12Å; I242-V259 HydrophobicContact CD1-CG2 3.64Å; I242-V259 HydrophobicContact CG2-CB 4.36Å; I242-V259 HydrophobicContact CG2-CG1 4.43Å; I242-V281 HydrophobicContact CG2-CB 3.76Å; I242-V281 HydrophobicContact CG2-CG1 3.79Å; I242-V281 HydrophobicContact CG2-CG2 3.82Å |
| 243 | W | 91.9 | Very high | 89.5 | Confident | 141 Ų | 141 | 44.2 Ų | 44.2 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -78 | -46.6 | 179.8 | 173.4 | 68.5 | 0 | 0 | 0 | 112.2 | I239 L283 | I239-W243 VanDerWaalsContact O-CB 3.28Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.13Å; W243-L283 HydrophobicContact CB-CD1 4.46Å; W243-L283 VanDerWaalsContact CD1-N 3.31Å; W243-L283 HydrophobicContact CD2-CB 4.4Å; W243-L283 HydrophobicContact CD2-CD1 3.88Å; W243-L283 HydrophobicContact CE3-CD1 4.06Å; W243-L283 HydrophobicContact CG-CB 4.25Å; W243-L283 HydrophobicContact CG-CD1 4.06Å |
| 244 | G | 84.7 | Confident | 89.6 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -92.5 | -40.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V240 G246 | V240-G244 CarbonylContact O-C 3.59Å; V240-G244 WeakPolarHBondContact O-CA 3.34Å; V240-G244 PolarHBondContact O-N 3.46Å; G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 PolarHBondContact O-N 2.98Å |
| 245 | A | 85.1 | Confident | 89.7 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 28.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V240 C241 | V240-A245 PolarHBondContact O-N 3.14Å; V240-A245 VanDerWaalsContact O-N 3.1Å; C241-A245 CarbonylContact O-C 3.48Å; C241-A245 WeakPolarHBondContact O-CA 3.48Å; C241-A245 VanDerWaalsContact O-CB 3.31Å; C241-A245 WeakPolarHBondContact O-CB 3.2Å; C241-A245 PolarHBondContact O-N 3.11Å |
| 246 | G | 81.9 | Confident | 89.7 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 26 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G244 R258 | G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 PolarHBondContact O-N 2.98Å; G246-R258 VanDerWaalsContact O-CZ 3.32Å; G246-R258 PolarHBondContact O-NE 2.81Å; G246-R258 PolarHBondContact O-NH2 3.45Å; G246-R258 VanDerWaalsContact O-NH2 3.07Å |
| 247 | G | 87.8 | Confident | 89.7 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 89.9 | 16.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | C241 I242 V259 | C241-G247 PolarHBondContact O-N 2.78Å; I242-G247 WeakPolarHBondContact O-CA 3.38Å; I242-G247 PolarHBondContact O-N 3.49Å; G247-V259 WeakPolarHBondContact O-CA 3.35Å; G247-V259 VanDerWaalsContact O-CB 3.31Å; G247-V259 WeakPolarHBondContact O-CB 3.29Å; G247-V259 WeakPolarHBondContact O-CG2 3.16Å; G247-V259 PolarHBondContact O-N 3.19Å |
| 248 | A | 91.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | trans | -141 | 132.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C241 K252 F253 | C241-A248 PolarHBondContact O-N 2.82Å; A248-K252 HydrophobicContact CB-CB 4.29Å; A248-F253 HydrophobicContact CB-CB 4.02Å | ||
| 249 | T | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | trans | -68.5 | 153.6 | 160.4 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | D175 Y237 E238 C241 I242 G251 K252 F253 | D175-T249 WeakPolarHBondContact OD1-CB 3.3Å; D175-T249 WeakPolarHBondContact OD2-CB 3.48Å; D175-T249 PolarHBondContact OD2-OG1 3.42Å; Y237-T249 HydrophobicContact CE1-CG2 4.49Å; E238-T249 HydrophobicContact CB-CG2 4.49Å; E238-T249 HydrophobicContact CG-CG2 3.99Å; C241-T249 HydrophobicContact CB-CG2 3.96Å; I242-T249 HydrophobicContact CD1-CG2 4.32Å; T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 3.42Å; T249-K252 CarbonylContact O-C 3.53Å; T249-K252 WeakPolarHBondContact O-CA 3.44Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-K252 VanDerWaalsContact OG1-CD 3.32Å; T249-K252 WeakPolarHBondContact OG1-CD 3.24Å; T249-K252 VanDerWaalsContact OG1-CG 3.24Å; T249-K252 WeakPolarHBondContact OG1-CG 3.4Å; T249-F253 WeakPolarHBondContact O-CB 2.94Å; T249-F253 PolarHBondContact O-N 3.23Å | ||
| 250 | P | 90.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -48.4 | -45.4 | -178.7 | -35 | 41 | 0 | 0 | 0 | 115.1 | I178 Y237 F253 L254 | I178-P250 HydrophobicContact CD1-CB 3.94Å; Y237-P250 HydrophobicContact CE2-CG 4.5Å; Y237-P250 WeakPolarHBondContact OH-CD 3.22Å; Y237-P250 WeakPolarHBondContact OH-CG 3.29Å; P250-F253 WeakPolarHBondContact O-CB 3.37Å; P250-F253 PolarHBondContact O-N 3.35Å; P250-L254 WeakPolarHBondContact O-CB 2.98Å; P250-L254 VanDerWaalsContact O-CG 3.23Å; P250-L254 WeakPolarHBondContact O-CG 2.93Å; P250-L254 PolarHBondContact O-N 2.96Å |
| 251 | G | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D175 T249 F253 L254 I255 | D175-G251 VanDerWaalsContact CG-N 3.33Å; D175-G251 WeakPolarHBondContact OD1-CA 3.27Å; D175-G251 PolarHBondContact OD1-N 2.9Å; T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 3.42Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.29Å; G251-L254 PolarHBondContact O-N 3.31Å; G251-I255 WeakPolarHBondContact O-CG1 3.45Å; G251-I255 PolarHBondContact O-N 2.93Å; G251-I255 VanDerWaalsContact O-N 3.1Å |
| 252 | K | 90.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 172 | -68.7 | -178.1 | -167.9 | -154.4 | 0 | 111.9 | A171 D175 A248 T249 I255 G256 L257 V259 | A171-K252 HydrophobicContact CB-CB 4.47Å; A171-K252 HydrophobicContact CB-CG 3.83Å; D175-K252 PolarHBondContact OD2-N 2.92Å; A248-K252 HydrophobicContact CB-CB 4.29Å; T249-K252 CarbonylContact O-C 3.53Å; T249-K252 WeakPolarHBondContact O-CA 3.44Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-K252 VanDerWaalsContact OG1-CD 3.32Å; T249-K252 WeakPolarHBondContact OG1-CD 3.24Å; T249-K252 VanDerWaalsContact OG1-CG 3.24Å; T249-K252 WeakPolarHBondContact OG1-CG 3.4Å; K252-I255 PolarHBondContact O-N 3.32Å; K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.1Å; K252-L257 CarbonylContact C-O 3.55Å; K252-L257 HydrophobicContact CB-CB 4.14Å; K252-L257 WeakPolarHBondContact O-CA 3.47Å; K252-L257 PolarHBondContact O-N 2.84Å; K252-V259 HydrophobicContact CD-CG2 4.44Å |
| 253 | F | 91.3 | Very high | 88.8 | Confident | 112 Ų | 112 | 41.7 Ų | 41.7 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.9 | -179.1 | -88.6 | 0 | 0 | 0 | 111.5 | A248 T249 P250 G251 I255 G256 | A248-F253 HydrophobicContact CB-CB 4.02Å; T249-F253 WeakPolarHBondContact O-CB 2.94Å; T249-F253 PolarHBondContact O-N 3.23Å; P250-F253 WeakPolarHBondContact O-CB 3.37Å; P250-F253 PolarHBondContact O-N 3.35Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.29Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 2.91Å; F253-G256 PolarHBondContact O-N 3.01Å |
| 254 | L | 89.6 | Confident | 88.1 | Confident | 121 Ų | 121 | 37.9 Ų | 37.9 | 63% | 0.634 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.6 | -37.7 | 178.3 | -73.7 | 170.8 | 0 | 0 | 0 | 112.5 | V174 I178 P250 G251 G256 | V174-L254 HydrophobicContact CG1-CD1 3.7Å; I178-L254 HydrophobicContact CD1-CD1 4.03Å; P250-L254 WeakPolarHBondContact O-CB 2.98Å; P250-L254 VanDerWaalsContact O-CG 3.23Å; P250-L254 WeakPolarHBondContact O-CG 2.93Å; P250-L254 PolarHBondContact O-N 2.96Å; G251-L254 PolarHBondContact O-N 3.31Å; L254-G256 PolarHBondContact O-N 3.19Å |
| 255 | I | 89.1 | Confident | 87.7 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -81.4 | -4.4 | 175.6 | -58.2 | -161.5 | 0 | 0 | 0 | 112.2 | Q167 M170 A171 G251 K252 F253 L257 | Q167-I255 HydrophobicContact CB-CG2 4.41Å; M170-I255 HydrophobicContact CB-CD1 3.42Å; M170-I255 VanDerWaalsContact CB-CD1 3.42Å; A171-I255 HydrophobicContact CB-CB 4.24Å; A171-I255 HydrophobicContact CB-CD1 3.82Å; A171-I255 HydrophobicContact CB-CG1 4.2Å; G251-I255 WeakPolarHBondContact O-CG1 3.45Å; G251-I255 PolarHBondContact O-N 2.93Å; G251-I255 VanDerWaalsContact O-N 3.1Å; K252-I255 PolarHBondContact O-N 3.32Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 2.91Å; I255-L257 HydrophobicContact CB-CG 4.31Å; I255-L257 HydrophobicContact CG2-CD1 4.2Å; I255-L257 HydrophobicContact CG2-CG 4.02Å |
| 256 | G | 89 | Confident | 87.4 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 30.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K252 F253 L254 R328 | K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.1Å; F253-G256 PolarHBondContact O-N 3.01Å; L254-G256 PolarHBondContact O-N 3.19Å; G256-R328 VanDerWaalsContact O-CB 3.29Å; G256-R328 WeakPolarHBondContact O-CB 3.26Å; G256-R328 PolarHBondContact O-N 2.76Å |
| 257 | L | 90.4 | Very high | 86.9 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 152.7 | 174.4 | -53.4 | -174.9 | 0 | 0 | 0 | 110.6 | P163 R168 A171 K252 I255 V325 V326 K327 | P163-L257 HydrophobicContact CB-CD1 4.35Å; P163-L257 HydrophobicContact CB-CD2 3.54Å; P163-L257 HydrophobicContact CG-CD2 4.03Å; R168-L257 HydrophobicContact CG-CD1 4.38Å; A171-L257 HydrophobicContact CB-CD1 3.99Å; K252-L257 CarbonylContact C-O 3.55Å; K252-L257 HydrophobicContact CB-CB 4.14Å; K252-L257 WeakPolarHBondContact O-CA 3.47Å; K252-L257 PolarHBondContact O-N 2.84Å; I255-L257 HydrophobicContact CB-CG 4.31Å; I255-L257 HydrophobicContact CG2-CD1 4.2Å; I255-L257 HydrophobicContact CG2-CG 4.02Å; L257-V325 HydrophobicContact CB-CG1 4.09Å; L257-V325 HydrophobicContact CD1-CG1 4.31Å; L257-V326 WeakPolarHBondContact CA-O 3.46Å; L257-K327 HydrophobicContact CD2-CG 4.11Å |
| 258 | R | 91 | Very high | 86.3 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 147.1 | 177.5 | -172.9 | -177.3 | -171.1 | -159.3 | -1.6 | 109.9 | G246 V260 N280 V325 V326 | G246-R258 VanDerWaalsContact O-CZ 3.32Å; G246-R258 PolarHBondContact O-NE 2.81Å; G246-R258 PolarHBondContact O-NH2 3.45Å; G246-R258 VanDerWaalsContact O-NH2 3.07Å; R258-V260 HydrophobicContact CG-CG1 4.41Å; R258-N280 PolarHBondContact NH2-OD1 3.45Å; R258-V325 CarbonylContact O-C 3.58Å; R258-V325 WeakPolarHBondContact O-CA 3.35Å; R258-V326 HydrophobicContact CB-CG2 4.34Å; R258-V326 PolarHBondContact N-O 2.93Å; R258-V326 WeakPolarHBondContact O-CG2 3.34Å; R258-V326 PolarHBondContact O-N 2.7Å |
| 259 | V | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.2 | 171.4 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | I242 G247 K252 V281 T323 I324 V325 | I242-V259 HydrophobicContact CD1-CB 4.12Å; I242-V259 HydrophobicContact CD1-CG2 3.64Å; I242-V259 HydrophobicContact CG2-CB 4.36Å; I242-V259 HydrophobicContact CG2-CG1 4.43Å; G247-V259 WeakPolarHBondContact O-CA 3.35Å; G247-V259 VanDerWaalsContact O-CB 3.31Å; G247-V259 WeakPolarHBondContact O-CB 3.29Å; G247-V259 WeakPolarHBondContact O-CG2 3.16Å; G247-V259 PolarHBondContact O-N 3.19Å; K252-V259 HydrophobicContact CD-CG2 4.44Å; V259-V281 HydrophobicContact CB-CG2 4.27Å; V259-V281 HydrophobicContact CG1-CG2 3.89Å; V259-V281 WeakPolarHBondContact O-CG2 3.09Å; V259-T323 HydrophobicContact CG1-CG2 4.14Å; V259-I324 WeakPolarHBondContact CA-O 3.4Å; V259-V325 HydrophobicContact CG2-CG2 4.29Å |
| 260 | V | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 159.3 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | Y160 R258 V275 T323 I324 V326 | Y160-V260 HydrophobicContact CE2-CG2 4.34Å; R258-V260 HydrophobicContact CG-CG1 4.41Å; V260-V275 HydrophobicContact CG2-CG1 4.21Å; V260-T323 CarbonylContact O-C 3.24Å; V260-T323 VanDerWaalsContact O-CA 3.28Å; V260-T323 WeakPolarHBondContact O-CA 3.12Å; V260-T323 WeakPolarHBondContact O-CB 2.93Å; V260-I324 HydrophobicContact CG2-CG2 3.62Å; V260-I324 PolarHBondContact N-O 3.45Å; V260-I324 PolarHBondContact O-N 2.84Å; V260-V326 HydrophobicContact CG1-CG2 4Å; V260-V326 HydrophobicContact CG2-CG1 4.01Å; V260-V326 HydrophobicContact CG2-CG2 3.93Å |
| 261 | T | 88.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 149.9 | 169.5 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | V275 P277 T279 N280 G322 | T261-V275 WeakPolarHBondContact O-CG1 3.09Å; T261-P277 CarbonylContact C-O 3.31Å; T261-P277 VanDerWaalsContact C-O 3.24Å; T261-P277 PolarHBondContact OG1-O 3.4Å; T261-T279 PolarHBondContact N-O 3.4Å; T261-T279 VanDerWaalsContact N-O 3.14Å; T261-T279 PolarHBondContact OG1-N 2.83Å; T261-T279 VanDerWaalsContact OG1-N 3.16Å; T261-T279 PolarHBondContact OG1-O 3.3Å; T261-T279 PolarHBondContact OG1-OG1 3.04Å; T261-N280 WeakPolarHBondContact CG2-O 3.48Å; T261-G322 CarbonylContact C-O 3.57Å |
| 262 | C | 85.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -161.2 | 105.1 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | V275 R314 G322 I324 | C262-V275 HydrophobicContact CB-CG1 3.71Å; C262-R314 PolarHBondContact O-NH2 3.45Å; C262-G322 CarbonylContact C-O 3.46Å; C262-G322 PolarHBondContact N-O 3.28Å; C262-G322 CarbonylContact O-C 3.54Å; C262-G322 VanDerWaalsContact O-C 3.31Å; C262-I324 HydrophobicContact CB-CB 3.78Å; C262-I324 HydrophobicContact CB-CG2 3.43Å; C262-I324 VanDerWaalsContact CB-CG2 3.43Å | ||
| 263 | D | 83.9 | Confident | 82.9 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -88.7 | -41.1 | 172.3 | -59 | -23.9 | 0 | 0 | 0 | 109.8 | V276 P277 | D263-V276 PolarHBondContact N-O 3.05Å; D263-P277 VanDerWaalsContact CG-CD 3.48Å; D263-P277 WeakPolarHBondContact OD2-CD 3.19Å |
| 264 | S | 76.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.6 | 176.7 | -172 | 0 | 0 | 0 | 0 | 111 | V276 | S264-V276 PolarHBondContact N-O 3.32Å; S264-V276 PolarHBondContact O-N 3.35Å |
| 265 | S | 78 | Confident | 82.1 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.9 | 172.7 | 58.7 | 0 | 0 | 0 | 0 | 109.6 | L274 | S265-L274 WeakPolarHBondContact CA-O 3.34Å |
| 266 | V | 77.3 | Confident | 81.7 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.9 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | V268 V273 L274 | V266-V268 PolarHBondContact O-N 3.44Å; V266-V273 CarbonylContact O-C 3.54Å; V266-V273 WeakPolarHBondContact O-CA 2.92Å; V266-L274 PolarHBondContact N-O 2.78Å; V266-L274 PolarHBondContact O-N 2.7Å |
| 267 | L | 71.9 | Confident | 81.3 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 40% | 0.398 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 112.8 | 176.7 | -167.2 | 72.3 | 0 | 0 | 0 | 109.2 | I162 Q269 V273 | I162-L267 HydrophobicContact CD1-CD1 4.47Å; L267-Q269 WeakPolarHBondContact CD1-O 2.95Å; L267-Q269 WeakPolarHBondContact CG-O 3.27Å; L267-V273 HydrophobicContact CD1-CG1 3.8Å |
| 268 | V | 75.4 | Confident | 80.9 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -35.4 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | V266 R272 L274 | V266-V268 PolarHBondContact O-N 3.44Å; V268-R272 PolarHBondContact N-O 3.07Å; V268-L274 HydrophobicContact CG2-CB 3.65Å |
| 269 | Q | 74.1 | Confident | 80.7 | Confident | 110 Ų | 110 | 53.7 Ų | 53.7 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.2 | 179.7 | -155.5 | 171.1 | 30.4 | 0 | 0 | 108.9 | L267 N271 R272 | L267-Q269 WeakPolarHBondContact CD1-O 2.95Å; L267-Q269 WeakPolarHBondContact CG-O 3.27Å; Q269-N271 PolarHBondContact O-N 2.9Å; Q269-R272 HydrophobicContact CB-CB 3.96Å; Q269-R272 HydrophobicContact CB-CG 4.4Å; Q269-R272 PolarHBondContact N-O 3.13Å; Q269-R272 VanDerWaalsContact N-O 3.16Å; Q269-R272 PolarHBondContact O-N 3.34Å |
| 270 | P | 70.5 | Confident | 80.5 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.1 | -24.2 | 179.9 | -0.6 | -19.8 | 0 | 0 | 0 | 117.3 | ||
| 271 | N | 73 | Confident | 80.6 | Confident | 108 Ų | 108 | 59 Ų | 59 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 11.8 | 175.4 | -81.8 | -22.6 | 0 | 0 | 0 | 114.7 | S161 I162 Q269 | S161-N271 VanDerWaalsContact CA-O 3.26Å; S161-N271 WeakPolarHBondContact CA-O 3.18Å; S161-N271 PolarHBondContact OG-O 2.69Å; I162-N271 PolarHBondContact N-O 3.18Å; I162-N271 VanDerWaalsContact N-O 3.11Å; Q269-N271 PolarHBondContact O-N 2.9Å |
| 272 | R | 80.3 | Confident | 80.7 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.9 | 180 | -66.3 | -176.8 | 178.9 | -109.6 | -2 | 111.2 | Y160 V268 Q269 | Y160-R272 CarbonylContact O-C 3.59Å; Y160-R272 VanDerWaalsContact O-CA 3.32Å; Y160-R272 WeakPolarHBondContact O-CA 3.03Å; V268-R272 PolarHBondContact N-O 3.07Å; Q269-R272 HydrophobicContact CB-CB 3.96Å; Q269-R272 HydrophobicContact CB-CG 4.4Å; Q269-R272 PolarHBondContact N-O 3.13Å; Q269-R272 VanDerWaalsContact N-O 3.16Å; Q269-R272 PolarHBondContact O-N 3.34Å |
| 273 | V | 82.8 | Confident | 80.9 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.7 | 175 | -74.5 | 0 | 0 | 0 | 0 | 110.3 | E159 Y160 I162 V266 L267 V275 I324 | E159-V273 WeakPolarHBondContact CA-O 3.46Å; Y160-V273 PolarHBondContact N-O 3.4Å; Y160-V273 PolarHBondContact O-N 3.47Å; I162-V273 HydrophobicContact CD1-CB 4.29Å; I162-V273 HydrophobicContact CD1-CG1 3.32Å; I162-V273 HydrophobicContact CD1-CG2 4.03Å; I162-V273 HydrophobicContact CG1-CB 4.25Å; I162-V273 HydrophobicContact CG1-CG1 3.81Å; I162-V273 HydrophobicContact CG1-CG2 3.5Å; V266-V273 CarbonylContact O-C 3.54Å; V266-V273 WeakPolarHBondContact O-CA 2.92Å; L267-V273 HydrophobicContact CD1-CG1 3.8Å; V273-V275 HydrophobicContact CB-CG2 4.47Å; V273-V275 HydrophobicContact CG2-CG2 3.84Å; V273-I324 HydrophobicContact CG2-CD1 4.16Å |
| 274 | L | 82.5 | Confident | 81.2 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.2 | 166.2 | -175.3 | 69.1 | 0 | 0 | 0 | 107.8 | E159 S265 V266 V268 | E159-L274 HydrophobicContact CG-CD1 4.03Å; S265-L274 WeakPolarHBondContact CA-O 3.34Å; V266-L274 PolarHBondContact N-O 2.78Å; V266-L274 PolarHBondContact O-N 2.7Å; V268-L274 HydrophobicContact CG2-CB 3.65Å |
| 275 | V | 81.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.9 | -177.2 | 178 | 0 | 0 | 0 | 0 | 110 | G157 R158 Y160 V260 T261 C262 V273 A278 I324 V326 | G157-V275 VanDerWaalsContact CA-O 3.24Å; G157-V275 WeakPolarHBondContact CA-O 3.43Å; R158-V275 PolarHBondContact N-O 3.18Å; R158-V275 PolarHBondContact O-N 2.81Å; Y160-V275 HydrophobicContact CD2-CB 3.94Å; Y160-V275 HydrophobicContact CD2-CG2 3.83Å; Y160-V275 HydrophobicContact CE2-CB 4.28Å; V260-V275 HydrophobicContact CG2-CG1 4.21Å; T261-V275 WeakPolarHBondContact O-CG1 3.09Å; C262-V275 HydrophobicContact CB-CG1 3.71Å; V273-V275 HydrophobicContact CB-CG2 4.47Å; V273-V275 HydrophobicContact CG2-CG2 3.84Å; V275-A278 HydrophobicContact CG1-CB 4.47Å; V275-I324 HydrophobicContact CG1-CG2 3.79Å; V275-I324 HydrophobicContact CG2-CD1 4.29Å; V275-I324 HydrophobicContact CG2-CG2 3.97Å; V275-V326 HydrophobicContact CG2-CG1 4.46Å |
| 276 | V | 81.4 | Confident | 82.4 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.4 | 177.4 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | R155 D263 S264 | R155-V276 HydrophobicContact CB-CG1 3.9Å; R155-V276 HydrophobicContact CB-CG2 4.37Å; R155-V276 HydrophobicContact CG-CG1 4.23Å; D263-V276 PolarHBondContact N-O 3.05Å; S264-V276 PolarHBondContact N-O 3.32Å; S264-V276 PolarHBondContact O-N 3.35Å |
| 277 | P | 80.1 | Confident | 83.1 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.2 | 132.1 | -15.2 | 31.6 | -31.4 | 0 | 0 | 0 | 110.9 | T261 D263 T279 | T261-P277 CarbonylContact C-O 3.31Å; T261-P277 VanDerWaalsContact C-O 3.24Å; T261-P277 PolarHBondContact OG1-O 3.4Å; D263-P277 VanDerWaalsContact CG-CD 3.48Å; D263-P277 WeakPolarHBondContact OD2-CD 3.19Å; P277-T279 HydrophobicContact CB-CG2 4.5Å; P277-T279 PolarHBondContact O-N 3.31Å |
| 278 | A | 82.6 | Confident | 84 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | trans | -82.8 | 45.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R158 Y160 V275 | R158-A278 HydrophobicContact CB-CB 3.61Å; R158-A278 HydrophobicContact CG-CB 3.78Å; Y160-A278 HydrophobicContact CE2-CB 3.62Å; V275-A278 HydrophobicContact CG1-CB 4.47Å | ||
| 279 | T | 86.5 | Confident | 84.7 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | trans | -97.3 | 176.7 | -173.4 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | T261 P277 | T261-T279 PolarHBondContact N-O 3.4Å; T261-T279 VanDerWaalsContact N-O 3.14Å; T261-T279 PolarHBondContact OG1-N 2.83Å; T261-T279 VanDerWaalsContact OG1-N 3.16Å; T261-T279 PolarHBondContact OG1-O 3.3Å; T261-T279 PolarHBondContact OG1-OG1 3.04Å; P277-T279 HydrophobicContact CB-CG2 4.5Å; P277-T279 PolarHBondContact O-N 3.31Å | ||
| 280 | N | 87.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 146 | 172.9 | -63.5 | -38.7 | 0 | 0 | 0 | 110.2 | R258 T261 | R258-N280 PolarHBondContact NH2-OD1 3.45Å; T261-N280 WeakPolarHBondContact CG2-O 3.48Å |
| 281 | V | 90.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 131.5 | -178.8 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | I242 V259 A285 T323 | I242-V281 HydrophobicContact CG2-CB 3.76Å; I242-V281 HydrophobicContact CG2-CG1 3.79Å; I242-V281 HydrophobicContact CG2-CG2 3.82Å; V259-V281 HydrophobicContact CB-CG2 4.27Å; V259-V281 HydrophobicContact CG1-CG2 3.89Å; V259-V281 WeakPolarHBondContact O-CG2 3.09Å; V281-A285 HydrophobicContact CG1-CB 3.78Å; V281-T323 HydrophobicContact CG1-CG2 3.85Å; V281-T323 HydrophobicContact CG2-CG2 4.3Å |
| 282 | S | 90.9 | Very high | 86.7 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 159.8 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | S284 A285 S286 | S282-S284 VanDerWaalsContact C-N 3.34Å; S282-S284 PolarHBondContact O-N 2.87Å; S282-S284 PolarHBondContact OG-OG 3.18Å; S282-A285 PolarHBondContact O-N 2.9Å; S282-A285 VanDerWaalsContact OG-CB 3.25Å; S282-A285 WeakPolarHBondContact OG-CB 3.44Å; S282-A285 PolarHBondContact OG-N 3.03Å; S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 3.49Å; S282-S286 PolarHBondContact O-OG 3.36Å |
| 283 | L | 90.6 | Very high | 86.7 | Confident | 83 Ų | 83 | 37.6 Ų | 37.6 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 179.2 | -178.2 | 65.1 | 0 | 0 | 0 | 110.8 | I239 W243 A285 S286 T287 | I239-L283 HydrophobicContact CG2-CD1 3.73Å; W243-L283 HydrophobicContact CB-CD1 4.46Å; W243-L283 VanDerWaalsContact CD1-N 3.31Å; W243-L283 HydrophobicContact CD2-CB 4.4Å; W243-L283 HydrophobicContact CD2-CD1 3.88Å; W243-L283 HydrophobicContact CE3-CD1 4.06Å; W243-L283 HydrophobicContact CG-CB 4.25Å; W243-L283 HydrophobicContact CG-CD1 4.06Å; L283-A285 PolarHBondContact O-N 2.93Å; L283-S286 PolarHBondContact O-N 3.34Å; L283-S286 PolarHBondContact O-OG 3.09Å; L283-T287 PolarHBondContact O-N 3.47Å; L283-T287 PolarHBondContact O-OG1 2.85Å |
| 284 | S | 90.3 | Very high | 86.6 | Confident | 82 Ų | 82 | 38 Ų | 38 | 57% | 0.573 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59 | -45.8 | 178.7 | 53 | 0 | 0 | 0 | 0 | 112.9 | S282 S286 T287 V288 | S282-S284 VanDerWaalsContact C-N 3.34Å; S282-S284 PolarHBondContact O-N 2.87Å; S282-S284 PolarHBondContact OG-OG 3.18Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å; S284-T287 PolarHBondContact O-N 2.88Å; S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.43Å |
| 285 | A | 89.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V281 S282 L283 T287 R289 A321 T323 | V281-A285 HydrophobicContact CG1-CB 3.78Å; S282-A285 PolarHBondContact O-N 2.9Å; S282-A285 VanDerWaalsContact OG-CB 3.25Å; S282-A285 WeakPolarHBondContact OG-CB 3.44Å; S282-A285 PolarHBondContact OG-N 3.03Å; L283-A285 PolarHBondContact O-N 2.93Å; A285-T287 PolarHBondContact O-N 3.41Å; A285-R289 WeakPolarHBondContact O-CB 3.49Å; A285-R289 PolarHBondContact O-N 3.03Å; A285-A321 WeakPolarHBondContact CB-O 3.28Å; A285-T323 HydrophobicContact CB-CG2 4.3Å |
| 286 | S | 91.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 176.8 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | S282 L283 S284 A290 | S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 3.49Å; S282-S286 PolarHBondContact O-OG 3.36Å; L283-S286 PolarHBondContact O-N 3.34Å; L283-S286 PolarHBondContact O-OG 3.09Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.47Å; S286-A290 PolarHBondContact O-N 3.37Å |
| 287 | T | 91.6 | Very high | 84.9 | Confident | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.27 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.7 | -52.6 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I239 L283 S284 A285 R289 A290 L291 | I239-T287 HydrophobicContact CD1-CG2 4.03Å; L283-T287 PolarHBondContact O-N 3.47Å; L283-T287 PolarHBondContact O-OG1 2.85Å; S284-T287 PolarHBondContact O-N 2.88Å; A285-T287 PolarHBondContact O-N 3.41Å; T287-R289 PolarHBondContact O-N 2.86Å; T287-A290 PolarHBondContact O-N 2.96Å; T287-L291 HydrophobicContact CG2-CD1 3.87Å; T287-L291 HydrophobicContact CG2-CG 4.13Å; T287-L291 WeakPolarHBondContact O-CB 3.24Å; T287-L291 VanDerWaalsContact O-CG 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.38Å; T287-L291 PolarHBondContact O-N 3.28Å |
| 288 | V | 90.4 | Very high | 84.1 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | S284 N292 V320 A321 | S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.43Å; V288-N292 VanDerWaalsContact O-CB 3.27Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.86Å; V288-N292 PolarHBondContact O-ND2 2.82Å; V288-V320 HydrophobicContact CG1-CG1 3.95Å; V288-A321 HydrophobicContact CB-CB 4.5Å; V288-A321 HydrophobicContact CG1-CB 4.24Å |
| 289 | R | 89.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 176.8 | -169.9 | 176.8 | 174.2 | -73.8 | -27 | 112.3 | E238 A285 T287 K293 D318 A321 T323 | E238-R289 IonicContact OE1-CZ 3.7Å; E238-R289 IonicContact OE1-NH1 2.84Å; E238-R289 PolarHBondContact OE1-NH1 2.66Å; E238-R289 IonicContact OE1-NH2 3.81Å; A285-R289 WeakPolarHBondContact O-CB 3.49Å; A285-R289 PolarHBondContact O-N 3.03Å; T287-R289 PolarHBondContact O-N 2.86Å; R289-K293 WeakPolarHBondContact O-CB 3.32Å; R289-K293 PolarHBondContact O-N 3.35Å; R289-D318 IonicContact CZ-OD1 3.6Å; R289-D318 IonicContact NE-OD1 2.84Å; R289-D318 PolarHBondContact NE-OD1 3.49Å; R289-D318 IonicContact NH2-OD1 3.44Å; R289-D318 PolarHBondContact NH2-OD1 3.26Å; R289-A321 HydrophobicContact CB-CB 3.57Å; R289-A321 HydrophobicContact CG-CB 4.17Å; R289-T323 WeakPolarHBondContact CD-OG1 3.24Å |
| 290 | A | 88.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E238 I239 S286 T287 K293 N294 | E238-A290 HydrophobicContact CB-CB 4.03Å; E238-A290 HydrophobicContact CG-CB 4.08Å; I239-A290 HydrophobicContact CD1-CB 4.34Å; I239-A290 HydrophobicContact CG1-CB 3.68Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.47Å; S286-A290 PolarHBondContact O-N 3.37Å; T287-A290 PolarHBondContact O-N 2.96Å; A290-K293 PolarHBondContact O-N 3.42Å; A290-N294 VanDerWaalsContact O-CB 3.24Å; A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 3.06Å; A290-N294 PolarHBondContact O-ND2 3.29Å |
| 291 | L | 87.4 | Confident | 79.6 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -51.7 | 177.8 | -65.3 | -176.1 | 0 | 0 | 0 | 110.7 | C235 T287 K293 N294 F295 | C235-L291 HydrophobicContact CB-CD2 4.1Å; T287-L291 HydrophobicContact CG2-CD1 3.87Å; T287-L291 HydrophobicContact CG2-CG 4.13Å; T287-L291 WeakPolarHBondContact O-CB 3.24Å; T287-L291 VanDerWaalsContact O-CG 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.38Å; T287-L291 PolarHBondContact O-N 3.28Å; L291-K293 VanDerWaalsContact C-N 3.27Å; L291-K293 PolarHBondContact O-N 3.36Å; L291-N294 PolarHBondContact O-N 2.91Å; L291-F295 HydrophobicContact CB-CD2 4.18Å; L291-F295 HydrophobicContact CD2-CD2 4.33Å; L291-F295 HydrophobicContact CD2-CE2 3.95Å; L291-F295 VanDerWaalsContact O-CB 3.26Å; L291-F295 WeakPolarHBondContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 3.23Å |
| 292 | N | 83.8 | Confident | 77.9 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | -179.9 | -74.4 | -15.5 | 0 | 0 | 0 | 111.5 | V288 S296 V320 | V288-N292 VanDerWaalsContact O-CB 3.27Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.86Å; V288-N292 PolarHBondContact O-ND2 2.82Å; N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 2.98Å; N292-S296 PolarHBondContact O-OG 3.4Å; N292-V320 WeakPolarHBondContact ND2-CG1 3.34Å |
| 293 | K | 80.4 | Confident | 76.1 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -51.8 | 179 | -174.1 | -178 | 170.3 | -141.7 | 0 | 111.6 | E172 E238 R289 A290 L291 I297 Y317 | E172-K293 WeakPolarHBondContact OE1-CE 3.46Å; E172-K293 IonicContact OE1-NZ 2.75Å; E172-K293 PolarHBondContact OE1-NZ 2.82Å; E172-K293 WeakPolarHBondContact OE2-CE 3.43Å; E172-K293 IonicContact OE2-NZ 2.99Å; E172-K293 PolarHBondContact OE2-NZ 2.85Å; E238-K293 VanDerWaalsContact OE1-CD 3.29Å; E238-K293 WeakPolarHBondContact OE1-CD 3.23Å; E238-K293 IonicContact OE1-NZ 3.39Å; E238-K293 PolarHBondContact OE1-NZ 3.38Å; E238-K293 IonicContact OE2-NZ 2.98Å; E238-K293 PolarHBondContact OE2-NZ 3.43Å; R289-K293 WeakPolarHBondContact O-CB 3.32Å; R289-K293 PolarHBondContact O-N 3.35Å; A290-K293 PolarHBondContact O-N 3.42Å; L291-K293 VanDerWaalsContact C-N 3.27Å; L291-K293 PolarHBondContact O-N 3.36Å; K293-I297 HydrophobicContact CG-CD1 4.04Å; K293-I297 WeakPolarHBondContact O-CB 3.27Å; K293-I297 VanDerWaalsContact O-CD1 3.31Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; K293-I297 PolarHBondContact O-N 2.92Å; K293-I297 VanDerWaalsContact O-N 3.15Å; K293-Y317 HydrophobicContact CB-CD2 4.4Å; K293-Y317 HydrophobicContact CB-CG 4.46Å; K293-Y317 HydrophobicContact CD-CE2 4.31Å; K293-Y317 HydrophobicContact CG-CE2 4.47Å |
| 294 | N | 79.8 | Confident | 74.1 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.3 | -31.5 | -173.8 | -73 | -64.8 | 0 | 0 | 0 | 113.6 | R231 V234 C235 E238 A290 L291 A298 | R231-N294 PolarHBondContact NH1-O 3.43Å; V234-N294 VanDerWaalsContact CG1-OD1 3.27Å; V234-N294 WeakPolarHBondContact CG1-OD1 3.33Å; C235-N294 WeakPolarHBondContact SG-CB 3.14Å; E238-N294 PolarHBondContact OE2-ND2 2.89Å; A290-N294 VanDerWaalsContact O-CB 3.24Å; A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 3.06Å; A290-N294 PolarHBondContact O-ND2 3.29Å; L291-N294 PolarHBondContact O-N 2.91Å; N294-A298 PolarHBondContact O-N 2.85Å |
| 295 | F | 75.9 | Confident | 72.5 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.2 | -40 | 172.5 | -80.2 | -67.2 | 0 | 0 | 0 | 112.2 | L228 L291 I297 A298 F299 | L228-F295 HydrophobicContact CD1-CE1 3.76Å; L228-F295 HydrophobicContact CD1-CZ 4.15Å; L291-F295 HydrophobicContact CB-CD2 4.18Å; L291-F295 HydrophobicContact CD2-CD2 4.33Å; L291-F295 HydrophobicContact CD2-CE2 3.95Å; L291-F295 VanDerWaalsContact O-CB 3.26Å; L291-F295 WeakPolarHBondContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 3.23Å; F295-I297 VanDerWaalsContact C-N 3.27Å; F295-I297 PolarHBondContact O-N 3.47Å; F295-A298 WeakPolarHBondContact O-CA 3.43Å; F295-A298 WeakPolarHBondContact O-CB 3.37Å; F295-A298 PolarHBondContact O-N 3.09Å; F295-F299 HydrophobicContact CB-CD2 4.5Å; F295-F299 AromaticContact CD1-CE2 3.81Å; F295-F299 HydrophobicContact CD1-CE2 3.81Å; F295-F299 VanDerWaalsContact O-CD2 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 3.38Å; F295-F299 VanDerWaalsContact O-N 3.12Å |
| 296 | S | 67.6 | Low | 70.9 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -36 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | N292 A298 F299 F300 | N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 2.98Å; N292-S296 PolarHBondContact O-OG 3.4Å; S296-A298 PolarHBondContact O-N 3.4Å; S296-F299 PolarHBondContact O-N 3.42Å; S296-F300 CarbonylContact O-C 3.21Å; S296-F300 WeakPolarHBondContact O-CA 3.32Å; S296-F300 WeakPolarHBondContact O-CB 3.42Å; S296-F300 PolarHBondContact O-N 3.02Å |
| 297 | I | 66.5 | Low | 69.2 | Low | 22 Ų | 22 | 58.5 Ų | 58.5 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -25.6 | 172.9 | -68.1 | 168.1 | 0 | 0 | 0 | 112.2 | K293 F295 P302 T306 | K293-I297 HydrophobicContact CG-CD1 4.04Å; K293-I297 WeakPolarHBondContact O-CB 3.27Å; K293-I297 VanDerWaalsContact O-CD1 3.31Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; K293-I297 PolarHBondContact O-N 2.92Å; K293-I297 VanDerWaalsContact O-N 3.15Å; F295-I297 VanDerWaalsContact C-N 3.27Å; F295-I297 PolarHBondContact O-N 3.47Å; I297-P302 HydrophobicContact CG2-CB 3.71Å; I297-P302 HydrophobicContact CG2-CG 4.14Å; I297-T306 HydrophobicContact CD1-CG2 3.93Å; I297-T306 HydrophobicContact CG1-CG2 4.17Å |
| 298 | A | 63.1 | Low | 67.6 | Low | 46 Ų | 46 | 60.8 Ų | 60.8 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.2 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N294 F295 S296 | N294-A298 PolarHBondContact O-N 2.85Å; F295-A298 WeakPolarHBondContact O-CA 3.43Å; F295-A298 WeakPolarHBondContact O-CB 3.37Å; F295-A298 PolarHBondContact O-N 3.09Å; S296-A298 PolarHBondContact O-N 3.4Å |
| 299 | F | 58.3 | Low | 66 | Low | 153 Ų | 153 | 60.6 Ų | 60.6 | 67% | 0.671 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -103.4 | -21.9 | -174.3 | -66.3 | -69.2 | 0 | 0 | 0 | 114.3 | F295 S296 | F295-F299 HydrophobicContact CB-CD2 4.5Å; F295-F299 AromaticContact CD1-CE2 3.81Å; F295-F299 HydrophobicContact CD1-CE2 3.81Å; F295-F299 VanDerWaalsContact O-CD2 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 3.38Å; F295-F299 VanDerWaalsContact O-N 3.12Å; S296-F299 PolarHBondContact O-N 3.42Å |
| 300 | F | 52.8 | Low | 64.4 | Low | 133 Ų | 133 | 66.6 Ų | 66.6 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -133.3 | 117.8 | -178.5 | -59.5 | -86.2 | 0 | 0 | 0 | 108.5 | S296 I305 | S296-F300 CarbonylContact O-C 3.21Å; S296-F300 WeakPolarHBondContact O-CA 3.32Å; S296-F300 WeakPolarHBondContact O-CB 3.42Å; S296-F300 PolarHBondContact O-N 3.02Å; F300-I305 HydrophobicContact CB-CD1 3.36Å; F300-I305 HydrophobicContact CB-CG1 3.52Å; F300-I305 HydrophobicContact CG-CD1 4.03Å |
| 301 | F | 52.7 | Low | 62.4 | Low | 165 Ų | 165 | 74.3 Ų | 74.3 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | trans | -7.9 | 114.2 | -178.4 | -108.4 | -98.8 | 0 | 0 | 0 | 116.8 | A303 F304 | F301-A303 VanDerWaalsContact C-N 3.28Å; F301-A303 PolarHBondContact O-N 2.83Å; F301-F304 PolarHBondContact O-N 3.34Å | ||
| 302 | P | 55 | Low | 60.9 | Low | 73 Ų | 73 | 75 Ų | 75 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -32 | -166.7 | -34.4 | 35.4 | 0 | 0 | 0 | 118.2 | I297 | I297-P302 HydrophobicContact CG2-CB 3.71Å; I297-P302 HydrophobicContact CG2-CG 4.14Å |
| 303 | A | 52.7 | Low | 59.9 | Low | 49 Ų | 49 | 75 Ų | 75 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -39.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F301 T306 | F301-A303 VanDerWaalsContact C-N 3.28Å; F301-A303 PolarHBondContact O-N 2.83Å; A303-T306 PolarHBondContact O-OG1 3.23Å |
| 304 | F | 49 | Very low | 59.5 | Low | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -31.8 | -168.7 | -70.8 | -81.8 | 0 | 0 | 0 | 113.2 | F301 T306 L307 L308 | F301-F304 PolarHBondContact O-N 3.34Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.02Å; F304-L307 CarbonylContact O-C 3.43Å; F304-L307 PolarHBondContact O-N 3.37Å; F304-L307 VanDerWaalsContact O-N 3.1Å; F304-L308 PolarHBondContact O-N 3.03Å |
| 305 | I | 56.1 | Low | 59.3 | Low | 39 Ų | 39 | 75.5 Ų | 75.5 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.9 | -32 | 179.9 | -66.1 | -92 | 0 | 0 | 0 | 111.9 | F300 L307 L308 | F300-I305 HydrophobicContact CB-CD1 3.36Å; F300-I305 HydrophobicContact CB-CG1 3.52Å; F300-I305 HydrophobicContact CG-CD1 4.03Å; I305-L307 PolarHBondContact O-N 2.89Å; I305-L308 HydrophobicContact CD1-CD1 3.93Å; I305-L308 PolarHBondContact O-N 3.36Å |
| 306 | T | 55.1 | Low | 59.2 | Low | 12 Ų | 12 | 75.2 Ų | 75.2 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -64.4 | -21.3 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | I297 A303 F304 Y317 | I297-T306 HydrophobicContact CD1-CG2 3.93Å; I297-T306 HydrophobicContact CG1-CG2 4.17Å; A303-T306 PolarHBondContact O-OG1 3.23Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.02Å; T306-Y317 PolarHBondContact O-OH 3.14Å |
| 307 | L | 57 | Low | 59.7 | Low | 51 Ų | 51 | 74.3 Ų | 74.3 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -106.4 | 6.6 | -176.2 | -59.5 | 176.5 | 0 | 0 | 0 | 113.5 | L169 F304 I305 F309 | L169-L307 HydrophobicContact CB-CD2 4.38Å; F304-L307 CarbonylContact O-C 3.43Å; F304-L307 PolarHBondContact O-N 3.37Å; F304-L307 VanDerWaalsContact O-N 3.1Å; I305-L307 PolarHBondContact O-N 2.89Å; L307-F309 HydrophobicContact CB-CD2 4.46Å; L307-F309 HydrophobicContact CB-CE2 3.82Å; L307-F309 HydrophobicContact CB-CZ 4.45Å; L307-F309 HydrophobicContact CD2-CE2 3.68Å; L307-F309 HydrophobicContact CD2-CZ 3.69Å; L307-F309 HydrophobicContact CG-CE2 4.37Å; L307-F309 WeakPolarHBondContact O-CD2 3.5Å; L307-F309 VanDerWaalsContact O-CE2 3.28Å; L307-F309 WeakPolarHBondContact O-CE2 3.28Å; L307-F309 PolarHBondContact O-N 3.32Å |
| 308 | L | 58.1 | Low | 60.5 | Low | 92 Ų | 92 | 73.3 Ų | 73.3 | 48% | 0.482 | 36% | 0.364 | S | S | . | . | trans | -71.4 | 83.8 | 170 | -67.5 | 179.8 | 0 | 0 | 0 | 108.9 | F304 I305 | F304-L308 PolarHBondContact O-N 3.03Å; I305-L308 HydrophobicContact CD1-CD1 3.93Å; I305-L308 PolarHBondContact O-N 3.36Å | ||
| 309 | F | 57 | Low | 61.4 | Low | 54 Ų | 54 | 75.9 Ų | 75.9 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127.8 | 175.8 | -60.9 | -73.8 | 0 | 0 | 0 | 109.5 | P165 L307 N313 T315 | P165-F309 HydrophobicContact CB-CD2 4.43Å; P165-F309 HydrophobicContact CB-CE1 4.4Å; P165-F309 HydrophobicContact CB-CE2 3.48Å; P165-F309 VanDerWaalsContact CB-CE2 3.48Å; P165-F309 HydrophobicContact CB-CZ 3.46Å; P165-F309 VanDerWaalsContact CB-CZ 3.46Å; P165-F309 HydrophobicContact CG-CD2 4.25Å; P165-F309 HydrophobicContact CG-CE1 4.32Å; P165-F309 HydrophobicContact CG-CE2 3.72Å; P165-F309 HydrophobicContact CG-CZ 3.77Å; L307-F309 HydrophobicContact CB-CD2 4.46Å; L307-F309 HydrophobicContact CB-CE2 3.82Å; L307-F309 HydrophobicContact CB-CZ 4.45Å; L307-F309 HydrophobicContact CD2-CE2 3.68Å; L307-F309 HydrophobicContact CD2-CZ 3.69Å; L307-F309 HydrophobicContact CG-CE2 4.37Å; L307-F309 WeakPolarHBondContact O-CD2 3.5Å; L307-F309 VanDerWaalsContact O-CE2 3.28Å; L307-F309 WeakPolarHBondContact O-CE2 3.28Å; L307-F309 PolarHBondContact O-N 3.32Å; F309-N313 HydrophobicContact CD1-CB 4.27Å; F309-T315 HydrophobicContact CD1-CG2 4.31Å; F309-T315 HydrophobicContact CE1-CG2 4.16Å |
| 310 | F | 56 | Low | 62.6 | Low | 127 Ų | 127 | 73.1 Ų | 73.1 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 173.2 | 158.2 | -80.3 | -87.3 | 0 | 0 | 0 | 109.7 | H312 N313 R314 V316 | F310-H312 PolarHBondContact O-N 3.49Å; F310-N313 PolarHBondContact O-N 3.29Å; F310-R314 PolarHBondContact N-O 3.02Å; F310-R314 PolarHBondContact O-N 2.68Å; F310-V316 HydrophobicContact CD2-CG2 3.54Å; F310-V316 HydrophobicContact CE2-CG2 3.57Å |
| 311 | Q | 46.9 | Very low | 64.1 | Low | 161 Ų | 161 | 67.2 Ų | 67.2 | 75% | 0.752 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -28 | 127 | -179 | -66.9 | -71.1 | -15.9 | 0 | 0 | 112.8 | ||
| 312 | H | 55.1 | Low | 65.7 | Low | 84 Ų | 84 | 60.3 Ų | 60.3 | 39% | 0.389 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 28.6 | -176.9 | -43.5 | -64.6 | 0 | 0 | 0 | 117 | I162 F310 R314 | I162-H312 WeakPolarHBondContact CD1-O 3.5Å; F310-H312 PolarHBondContact O-N 3.49Å; H312-R314 PolarHBondContact O-N 3.39Å |
| 313 | N | 63.6 | Low | 67.3 | Low | 56 Ų | 56 | 56.8 Ų | 56.8 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.9 | -179.5 | -73.3 | -16.7 | 0 | 0 | 0 | 111.5 | I162 R168 F309 F310 | I162-N313 HydrophobicContact CG2-CB 3.88Å; R168-N313 PolarHBondContact NH1-O 3.09Å; R168-N313 PolarHBondContact NH2-O 3.36Å; F309-N313 HydrophobicContact CD1-CB 4.27Å; F310-N313 PolarHBondContact O-N 3.29Å |
| 314 | R | 71 | Confident | 69 | Low | 26 Ų | 26 | 54.7 Ų | 54.7 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.5 | 171.1 | -165.7 | 174.6 | 179.2 | -170.1 | 3.9 | 108.7 | C262 F310 H312 D318 M319 T323 | C262-R314 PolarHBondContact O-NH2 3.45Å; F310-R314 PolarHBondContact N-O 3.02Å; F310-R314 PolarHBondContact O-N 2.68Å; H312-R314 PolarHBondContact O-N 3.39Å; R314-D318 HydrophobicContact CG-CB 4.24Å; R314-D318 PolarHBondContact NH2-O 3.3Å; R314-M319 HydrophobicContact CB-CG 4.47Å; R314-M319 HydrophobicContact CG-CG 3.86Å; R314-T323 VanDerWaalsContact CZ-O 3.31Å; R314-T323 PolarHBondContact NE-O 3.3Å; R314-T323 PolarHBondContact NH2-O 2.77Å |
| 315 | T | 76.4 | Confident | 70.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 152.7 | 179 | 71.1 | 0 | 0 | 0 | 0 | 109.9 | F309 Y317 D318 M319 | F309-T315 HydrophobicContact CD1-CG2 4.31Å; F309-T315 HydrophobicContact CE1-CG2 4.16Å; T315-Y317 VanDerWaalsContact C-N 3.31Å; T315-Y317 VanDerWaalsContact CB-CZ 3.44Å; T315-Y317 HydrophobicContact CG2-CE1 4.16Å; T315-Y317 HydrophobicContact CG2-CE2 4.27Å; T315-Y317 WeakPolarHBondContact CG2-OH 3.37Å; T315-Y317 PolarHBondContact O-N 3.47Å; T315-Y317 VanDerWaalsContact OG1-CD2 3.26Å; T315-Y317 WeakPolarHBondContact OG1-CD2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.49Å; T315-D318 PolarHBondContact O-N 2.92Å; T315-D318 VanDerWaalsContact O-N 3.11Å; T315-D318 VanDerWaalsContact OG1-CB 3.28Å; T315-D318 WeakPolarHBondContact OG1-CB 3.41Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 2.95Å; T315-M319 PolarHBondContact O-N 3.11Å |
| 316 | V | 73.4 | Confident | 72.5 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.2 | -43.2 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | F310 D318 M319 V320 | F310-V316 HydrophobicContact CD2-CG2 3.54Å; F310-V316 HydrophobicContact CE2-CG2 3.57Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.91Å; V316-M319 WeakPolarHBondContact O-CB 3.48Å; V316-M319 PolarHBondContact O-N 3.24Å; V316-M319 VanDerWaalsContact O-N 3.16Å; V316-V320 WeakPolarHBondContact O-CG2 3.44Å; V316-V320 PolarHBondContact O-N 3.18Å |
| 317 | Y | 78.9 | Confident | 74.2 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 8% | 0.078 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -32.3 | 179 | 50 | -94 | 0 | 0 | 0 | 112.3 | K293 T306 T315 A321 | K293-Y317 HydrophobicContact CB-CD2 4.4Å; K293-Y317 HydrophobicContact CB-CG 4.46Å; K293-Y317 HydrophobicContact CD-CE2 4.31Å; K293-Y317 HydrophobicContact CG-CE2 4.47Å; T306-Y317 PolarHBondContact O-OH 3.14Å; T315-Y317 VanDerWaalsContact C-N 3.31Å; T315-Y317 VanDerWaalsContact CB-CZ 3.44Å; T315-Y317 HydrophobicContact CG2-CE1 4.16Å; T315-Y317 HydrophobicContact CG2-CE2 4.27Å; T315-Y317 WeakPolarHBondContact CG2-OH 3.37Å; T315-Y317 PolarHBondContact O-N 3.47Å; T315-Y317 VanDerWaalsContact OG1-CD2 3.26Å; T315-Y317 WeakPolarHBondContact OG1-CD2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.49Å; Y317-A321 WeakPolarHBondContact O-CB 3.28Å; Y317-A321 PolarHBondContact O-N 3.47Å |
| 318 | D | 82.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71 | -32.1 | 173.1 | -68.4 | -33.5 | 0 | 0 | 0 | 111.4 | R289 R314 T315 V316 G322 T323 | R289-D318 IonicContact CZ-OD1 3.6Å; R289-D318 IonicContact NE-OD1 2.84Å; R289-D318 PolarHBondContact NE-OD1 3.49Å; R289-D318 IonicContact NH2-OD1 3.44Å; R289-D318 PolarHBondContact NH2-OD1 3.26Å; R314-D318 HydrophobicContact CG-CB 4.24Å; R314-D318 PolarHBondContact NH2-O 3.3Å; T315-D318 PolarHBondContact O-N 2.92Å; T315-D318 VanDerWaalsContact O-N 3.11Å; T315-D318 VanDerWaalsContact OG1-CB 3.28Å; T315-D318 WeakPolarHBondContact OG1-CB 3.41Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 2.95Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.91Å; D318-G322 PolarHBondContact O-N 3.34Å; D318-T323 CarbonylContact C-O 3.57Å; D318-T323 WeakPolarHBondContact CA-OG1 3.33Å; D318-T323 WeakPolarHBondContact CB-O 3.31Å; D318-T323 PolarHBondContact O-N 3.15Å; D318-T323 PolarHBondContact O-OG1 3Å; D318-T323 PolarHBondContact OD1-OG1 3.06Å |
| 319 | M | 81.4 | Confident | 76.1 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 50% | 0.498 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -51.9 | 171.9 | -75.7 | -174.6 | 65.8 | 0 | 0 | 112 | R314 T315 V316 A321 G322 | R314-M319 HydrophobicContact CB-CG 4.47Å; R314-M319 HydrophobicContact CG-CG 3.86Å; T315-M319 PolarHBondContact O-N 3.11Å; V316-M319 WeakPolarHBondContact O-CB 3.48Å; V316-M319 PolarHBondContact O-N 3.24Å; V316-M319 VanDerWaalsContact O-N 3.16Å; M319-A321 VanDerWaalsContact C-N 3.26Å; M319-A321 PolarHBondContact O-N 3.27Å; M319-G322 PolarHBondContact O-N 3.24Å; M319-G322 VanDerWaalsContact O-N 3.08Å |
| 320 | V | 83.4 | Confident | 76.2 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.5 | -37.2 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | V288 N292 V316 G322 | V288-V320 HydrophobicContact CG1-CG1 3.95Å; N292-V320 WeakPolarHBondContact ND2-CG1 3.34Å; V316-V320 WeakPolarHBondContact O-CG2 3.44Å; V316-V320 PolarHBondContact O-N 3.18Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.4Å |
| 321 | A | 84.3 | Confident | 75.9 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A285 V288 R289 Y317 M319 T323 | A285-A321 WeakPolarHBondContact CB-O 3.28Å; V288-A321 HydrophobicContact CB-CB 4.5Å; V288-A321 HydrophobicContact CG1-CB 4.24Å; R289-A321 HydrophobicContact CB-CB 3.57Å; R289-A321 HydrophobicContact CG-CB 4.17Å; Y317-A321 WeakPolarHBondContact O-CB 3.28Å; Y317-A321 PolarHBondContact O-N 3.47Å; M319-A321 VanDerWaalsContact C-N 3.26Å; M319-A321 PolarHBondContact O-N 3.27Å; A321-T323 VanDerWaalsContact C-N 3.29Å; A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.06Å |
| 322 | G | 86.4 | Confident | 75.4 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 37.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T261 C262 D318 M319 V320 | T261-G322 CarbonylContact C-O 3.57Å; C262-G322 CarbonylContact C-O 3.46Å; C262-G322 PolarHBondContact N-O 3.28Å; C262-G322 CarbonylContact O-C 3.54Å; C262-G322 VanDerWaalsContact O-C 3.31Å; D318-G322 PolarHBondContact O-N 3.34Å; M319-G322 PolarHBondContact O-N 3.24Å; M319-G322 VanDerWaalsContact O-N 3.08Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.4Å |
| 323 | T | 89.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 166.8 | -178.8 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | V259 V260 V281 A285 R289 R314 D318 A321 | V259-T323 HydrophobicContact CG1-CG2 4.14Å; V260-T323 CarbonylContact O-C 3.24Å; V260-T323 VanDerWaalsContact O-CA 3.28Å; V260-T323 WeakPolarHBondContact O-CA 3.12Å; V260-T323 WeakPolarHBondContact O-CB 2.93Å; V281-T323 HydrophobicContact CG1-CG2 3.85Å; V281-T323 HydrophobicContact CG2-CG2 4.3Å; A285-T323 HydrophobicContact CB-CG2 4.3Å; R289-T323 WeakPolarHBondContact CD-OG1 3.24Å; R314-T323 VanDerWaalsContact CZ-O 3.31Å; R314-T323 PolarHBondContact NE-O 3.3Å; R314-T323 PolarHBondContact NH2-O 2.77Å; D318-T323 CarbonylContact C-O 3.57Å; D318-T323 WeakPolarHBondContact CA-OG1 3.33Å; D318-T323 WeakPolarHBondContact CB-O 3.31Å; D318-T323 PolarHBondContact O-N 3.15Å; D318-T323 PolarHBondContact O-OG1 3Å; D318-T323 PolarHBondContact OD1-OG1 3.06Å; A321-T323 VanDerWaalsContact C-N 3.29Å; A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.06Å |
| 324 | I | 87.9 | Confident | 77.1 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.1 | 172.5 | -169.5 | 170.4 | 0 | 0 | 0 | 110.5 | V259 V260 C262 V273 V275 V326 | V259-I324 WeakPolarHBondContact CA-O 3.4Å; V260-I324 HydrophobicContact CG2-CG2 3.62Å; V260-I324 PolarHBondContact N-O 3.45Å; V260-I324 PolarHBondContact O-N 2.84Å; C262-I324 HydrophobicContact CB-CB 3.78Å; C262-I324 HydrophobicContact CB-CG2 3.43Å; C262-I324 VanDerWaalsContact CB-CG2 3.43Å; V273-I324 HydrophobicContact CG2-CD1 4.16Å; V275-I324 HydrophobicContact CG1-CG2 3.79Å; V275-I324 HydrophobicContact CG2-CD1 4.29Å; V275-I324 HydrophobicContact CG2-CG2 3.97Å; I324-V326 HydrophobicContact CG2-CG1 4Å |
| 325 | V | 89.8 | Confident | 77.4 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.7 | 172.9 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | P163 L257 R258 V259 | P163-V325 WeakPolarHBondContact CD-O 3.44Å; P163-V325 HydrophobicContact CG-CB 4.4Å; P163-V325 HydrophobicContact CG-CG1 4.03Å; L257-V325 HydrophobicContact CB-CG1 4.09Å; L257-V325 HydrophobicContact CD1-CG1 4.31Å; R258-V325 CarbonylContact O-C 3.58Å; R258-V325 WeakPolarHBondContact O-CA 3.35Å; V259-V325 HydrophobicContact CG2-CG2 4.29Å |
| 326 | V | 89.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 154 | -178.1 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | Y160 L257 R258 V260 V275 I324 | Y160-V326 VanDerWaalsContact CB-CG1 3.42Å; Y160-V326 HydrophobicContact CD1-CB 3.75Å; Y160-V326 HydrophobicContact CD1-CG1 4.13Å; Y160-V326 HydrophobicContact CD1-CG2 3.79Å; Y160-V326 HydrophobicContact CD2-CB 4.34Å; Y160-V326 HydrophobicContact CD2-CG1 3.81Å; Y160-V326 HydrophobicContact CE1-CB 4.48Å; Y160-V326 HydrophobicContact CE1-CG2 4.02Å; Y160-V326 HydrophobicContact CG-CB 3.67Å; Y160-V326 HydrophobicContact CG-CG1 3.53Å; Y160-V326 HydrophobicContact CG-CG2 4.05Å; L257-V326 WeakPolarHBondContact CA-O 3.46Å; R258-V326 HydrophobicContact CB-CG2 4.34Å; R258-V326 PolarHBondContact N-O 2.93Å; R258-V326 WeakPolarHBondContact O-CG2 3.34Å; R258-V326 PolarHBondContact O-N 2.7Å; V260-V326 HydrophobicContact CG1-CG2 4Å; V260-V326 HydrophobicContact CG2-CG1 4.01Å; V260-V326 HydrophobicContact CG2-CG2 3.93Å; V275-V326 HydrophobicContact CG2-CG1 4.46Å; I324-V326 HydrophobicContact CG2-CG1 4Å |
| 327 | K | 89.3 | Confident | 77.7 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136.9 | 167 | -69.8 | -176.5 | -176.6 | 166.3 | 0 | 110 | S161 P163 L257 S329 | S161-K327 PolarHBondContact O-N 3.11Å; S161-K327 VanDerWaalsContact O-N 3.08Å; P163-K327 HydrophobicContact CB-CG 4.16Å; L257-K327 HydrophobicContact CD2-CG 4.11Å; K327-S329 PolarHBondContact O-N 3.18Å |
| 328 | R | 85.1 | Confident | 77.6 | Confident | 137 Ų | 137 | 83.1 Ų | 83.1 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | trans | -67.3 | 122.8 | 171.9 | -165.4 | 176.6 | -165.5 | 173 | 4.6 | 108.5 | G256 R330 | G256-R328 VanDerWaalsContact O-CB 3.29Å; G256-R328 WeakPolarHBondContact O-CB 3.26Å; G256-R328 PolarHBondContact O-N 2.76Å; R328-R330 PolarHBondContact O-N 3.42Å; R328-R330 VanDerWaalsContact O-N 3.16Å | ||
| 329 | S | 70.9 | Confident | 77.3 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 67% | 0.671 | 41% | 0.414 | S | S | * | . | trans | -65.9 | 114.7 | 169 | -166.1 | 0 | 0 | 0 | 0 | 107.4 | K327 I331 | K327-S329 PolarHBondContact O-N 3.18Å; S329-I331 PolarHBondContact O-N 3.13Å | ||
| 330 | R | 59 | Low | 77 | Confident | 234 Ų | 234 | 88.2 Ų | 88.2 | 88% | 0.883 | 41% | 0.408 | S | S | * | . | trans | -67 | 106.5 | 169.8 | -69.9 | -164 | -171.1 | -167.3 | 4.1 | 105.9 | R328 R332 | R328-R330 PolarHBondContact O-N 3.42Å; R328-R330 VanDerWaalsContact O-N 3.16Å; R330-R332 PolarHBondContact O-N 3.4Å; R330-R332 VanDerWaalsContact O-N 3.13Å | ||
| 331 | I | 50.3 | Low | 76.4 | Confident | 167 Ų | 167 | 87.7 Ų | 87.7 | 86% | 0.856 | 39% | 0.394 | S | S | * | . | trans | -61.1 | 115.6 | 163.9 | -62.1 | 169.2 | 0 | 0 | 0 | 104.4 | S329 | S329-I331 PolarHBondContact O-N 3.13Š| ||
| 332 | R | 35.5 | Very low | 75.7 | Confident | 307 Ų | 307 | 94.8 Ų | 94.8 | 100% | 1.158 | 42% | 0.423 | S | S | * | . | trans | -91.8 | 0 | -177.8 | -149.4 | -177.3 | -154.2 | 172.9 | 4.5 | 109.3 | R330 | R330-R332 PolarHBondContact O-N 3.4Å; R330-R332 VanDerWaalsContact O-N 3.13Å |
Retrieved 332 of 332 residues in 120.9 ms
(Link to these results)