| 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 | 62.6 | Low | 74.1 | Confident | 186 Ų | 186 | 134.2 Ų | 134.2 | 92% | 0.916 | 65% | 0.653 | S | S | * | * | 0 | -63.1 | 0 | -57.6 | -53.6 | -169.3 | 0 | 0 | 112.3 | K3 V4 F5 | M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 2.88Å; M1-V4 WeakPolarHBondContact O-CB 3.32Å; M1-V4 PolarHBondContact O-N 3.34Å; M1-F5 PolarHBondContact O-N 2.9Å | |||
| 2 | H | 59.4 | Low | 73.9 | Confident | 169 Ų | 169 | 127.8 Ų | 127.8 | 78% | 0.782 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.3 | -37 | -177.8 | -66.5 | -67.9 | 0 | 0 | 0 | 115.9 | V4 F5 L6 | H2-V4 VanDerWaalsContact C-N 3.27Å; H2-V4 PolarHBondContact O-N 3.06Å; H2-F5 PolarHBondContact O-N 2.89Å; H2-L6 WeakPolarHBondContact O-CB 3.42Å; H2-L6 PolarHBondContact O-N 3Å |
| 3 | K | 67.8 | Low | 73.5 | Confident | 180 Ų | 180 | 123.2 Ų | 123.2 | 78% | 0.783 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.9 | -31.1 | 177.1 | -65.5 | -176.5 | 174.6 | 179.7 | 0 | 112.9 | M1 V7 | M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 2.88Å; K3-V7 WeakPolarHBondContact O-CG2 3.26Å; K3-V7 PolarHBondContact O-N 2.88Å; K3-V7 VanDerWaalsContact O-N 3.08Å |
| 4 | V | 74.7 | Confident | 73.2 | Confident | 105 Ų | 105 | 121.6 Ų | 121.6 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.3 | -41.1 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | M1 H2 V7 L8 | M1-V4 WeakPolarHBondContact O-CB 3.32Å; M1-V4 PolarHBondContact O-N 3.34Å; H2-V4 VanDerWaalsContact C-N 3.27Å; H2-V4 PolarHBondContact O-N 3.06Å; V4-V7 PolarHBondContact O-N 2.59Å; V4-L8 WeakPolarHBondContact O-CB 3.37Å; V4-L8 PolarHBondContact O-N 3.3Å |
| 5 | F | 77.2 | Confident | 72.4 | Confident | 130 Ų | 130 | 125.9 Ų | 125.9 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.2 | -40.8 | 173.2 | -81.9 | -76.8 | 0 | 0 | 0 | 112.4 | M1 H2 L8 F9 | M1-F5 PolarHBondContact O-N 2.9Å; H2-F5 PolarHBondContact O-N 2.89Å; F5-L8 PolarHBondContact O-N 2.93Å; F5-F9 WeakPolarHBondContact O-CB 3.37Å; F5-F9 PolarHBondContact O-N 2.92Å |
| 6 | L | 78.5 | Confident | 71.7 | Confident | 111 Ų | 111 | 124.6 Ų | 124.6 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -40.6 | 177.6 | -174.5 | 143.4 | 0 | 0 | 0 | 112.1 | H2 L10 | H2-L6 WeakPolarHBondContact O-CB 3.42Å; H2-L6 PolarHBondContact O-N 3Å; L6-L10 HydrophobicContact CD2-CD1 3.77Å; L6-L10 WeakPolarHBondContact O-CB 2.93Å; L6-L10 PolarHBondContact O-N 3.48Å |
| 7 | V | 83.5 | Confident | 71 | Confident | 73 Ų | 73 | 127.4 Ų | 127.4 | 44% | 0.442 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.2 | -44 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | K3 V4 F9 L10 F11 | K3-V7 WeakPolarHBondContact O-CG2 3.26Å; K3-V7 PolarHBondContact O-N 2.88Å; K3-V7 VanDerWaalsContact O-N 3.08Å; V4-V7 PolarHBondContact O-N 2.59Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 3.05Å; V7-F11 HydrophobicContact CG1-CD2 3.7Å; V7-F11 HydrophobicContact CG1-CE2 3.76Å; V7-F11 WeakPolarHBondContact O-CD2 2.93Å; V7-F11 PolarHBondContact O-N 2.73Å |
| 8 | L | 79.8 | Confident | 70.2 | Confident | 116 Ų | 116 | 125.1 Ų | 125.1 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.4 | -43.1 | 177.1 | -171.8 | 75.7 | 0 | 0 | 0 | 112 | V4 F5 F11 A12 | V4-L8 WeakPolarHBondContact O-CB 3.37Å; V4-L8 PolarHBondContact O-N 3.3Å; F5-L8 PolarHBondContact O-N 2.93Å; L8-F11 PolarHBondContact O-N 3.49Å; L8-A12 PolarHBondContact O-N 2.81Å |
| 9 | F | 81.6 | Confident | 69.6 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 178.1 | -129.3 | -86.5 | 0 | 0 | 0 | 111.7 | F5 V7 A12 S13 | F5-F9 WeakPolarHBondContact O-CB 3.37Å; F5-F9 PolarHBondContact O-N 2.92Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 3.25Å; F9-A12 PolarHBondContact O-N 2.77Å; F9-S13 PolarHBondContact O-N 2.77Å; F9-S13 VanDerWaalsContact O-N 3.09Å; F9-S13 PolarHBondContact O-OG 2.74Å |
| 10 | L | 77.9 | Confident | 69 | Low | 104 Ų | 104 | 130.1 Ų | 130.1 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62.5 | -43 | 175.6 | -94.8 | 161 | 0 | 0 | 0 | 112.4 | L6 V7 S13 V14 | L6-L10 HydrophobicContact CD2-CD1 3.77Å; L6-L10 WeakPolarHBondContact O-CB 2.93Å; L6-L10 PolarHBondContact O-N 3.48Å; V7-L10 PolarHBondContact O-N 3.05Å; L10-S13 PolarHBondContact O-N 3.08Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.46Å |
| 11 | F | 72.4 | Confident | 68.4 | Low | 144 Ų | 144 | 132.2 Ų | 132.2 | 63% | 0.632 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.4 | -38.3 | 177.6 | -91.1 | -78.8 | 0 | 0 | 0 | 112.7 | V7 L8 Y15 | V7-F11 HydrophobicContact CG1-CD2 3.7Å; V7-F11 HydrophobicContact CG1-CE2 3.76Å; V7-F11 WeakPolarHBondContact O-CD2 2.93Å; V7-F11 PolarHBondContact O-N 2.73Å; L8-F11 PolarHBondContact O-N 3.49Å; F11-Y15 PolarHBondContact O-N 2.86Å |
| 12 | A | 70.9 | Confident | 68.1 | Low | 57 Ų | 57 | 129.1 Ų | 129.1 | 47% | 0.471 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66.8 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L8 F9 Y15 S16 | L8-A12 PolarHBondContact O-N 2.81Å; F9-A12 PolarHBondContact O-N 2.77Å; A12-Y15 PolarHBondContact O-N 3.24Å; A12-S16 PolarHBondContact O-N 2.69Å; A12-S16 PolarHBondContact O-OG 3.44Å |
| 13 | S | 69.4 | Low | 68.1 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.6 | -43.2 | 176.5 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | F9 L10 Y15 S16 | F9-S13 PolarHBondContact O-N 2.77Å; F9-S13 VanDerWaalsContact O-N 3.09Å; F9-S13 PolarHBondContact O-OG 2.74Å; L10-S13 PolarHBondContact O-N 3.08Å; S13-Y15 VanDerWaalsContact C-N 3.32Å; S13-Y15 PolarHBondContact O-N 2.73Å; S13-S16 PolarHBondContact O-N 3.46Å |
| 14 | V | 69.1 | Low | 67.6 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 62% | 0.618 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.4 | -33.6 | 179.5 | 174.1 | 0 | 0 | 0 | 0 | 112 | L10 S16 | L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.46Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.84Å |
| 15 | Y | 61.8 | Low | 66.5 | Low | 186 Ų | 186 | 131.4 Ų | 131.4 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.5 | -22.4 | 178.5 | -122.1 | -92 | 0 | 0 | 0 | 113.8 | F11 A12 S13 E17 | F11-Y15 PolarHBondContact O-N 2.86Å; A12-Y15 PolarHBondContact O-N 3.24Å; S13-Y15 VanDerWaalsContact C-N 3.32Å; S13-Y15 PolarHBondContact O-N 2.73Å; Y15-E17 VanDerWaalsContact C-N 3.29Å; Y15-E17 PolarHBondContact O-N 3.17Å |
| 16 | S | 61.1 | Low | 65.2 | Low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -13.2 | -178.3 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | A12 S13 V14 | A12-S16 PolarHBondContact O-N 2.69Å; A12-S16 PolarHBondContact O-OG 3.44Å; S13-S16 PolarHBondContact O-N 3.46Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.84Å |
| 17 | E | 58.7 | Low | 63.9 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -8.9 | -174 | -165.6 | 155 | -177.3 | 0 | 0 | 114.1 | Y15 | Y15-E17 VanDerWaalsContact C-N 3.29Å; Y15-E17 PolarHBondContact O-N 3.17Å |
| 18 | S | 57.9 | Low | 62.1 | Low | 86 Ų | 86 | 138.8 Ų | 138.8 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -98.9 | 5.6 | -170.3 | 57.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 19 | V | 57.3 | Low | 60.5 | Low | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | trans | -117.1 | 78.6 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | R | 57.6 | Low | 58.6 | Low | 229 Ų | 229 | 141.5 Ų | 141.5 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -131.4 | 75.2 | 155.5 | -64.4 | -167.8 | -175.3 | -151.8 | 2.1 | 108.1 | T22 | R20-T22 PolarHBondContact O-N 3.36Š| ||
| 21 | E | 57.2 | Low | 56.9 | Low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -70.5 | 114.4 | 161.8 | -62.9 | -163.7 | 162.5 | 0 | 0 | 107.2 | E23 | E21-E23 PolarHBondContact O-N 3.44Š| ||
| 22 | T | 56.7 | Low | 55.2 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -85.4 | 87.2 | 177.4 | 43 | 0 | 0 | 0 | 0 | 108.2 | R20 T24 | R20-T22 PolarHBondContact O-N 3.36Å; T22-T24 PolarHBondContact O-N 2.77Å | ||
| 23 | E | 58.6 | Low | 53.6 | Low | 153 Ų | 153 | 146.5 Ų | 146.5 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | trans | -67.1 | 99.6 | 166.3 | -67.6 | -170.4 | 147.6 | 0 | 0 | 108.5 | E21 W25 | E21-E23 PolarHBondContact O-N 3.44Å; E23-W25 PolarHBondContact O-N 2.77Å; E23-W25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | T | 57.7 | Low | 52 | Low | 124 Ų | 124 | 147.6 Ų | 147.6 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -75.6 | 96.6 | 173.4 | 32.1 | 0 | 0 | 0 | 0 | 108.5 | T22 M26 | T22-T24 PolarHBondContact O-N 2.77Å; T24-M26 PolarHBondContact O-N 2.94Å; T24-M26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | W | 51.7 | Low | 50.4 | Low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 108.1 | 169.5 | -73.8 | 84.2 | 0 | 0 | 0 | 109.5 | E23 | E23-W25 PolarHBondContact O-N 2.77Å; E23-W25 VanDerWaalsContact O-N 3.15Å | ||
| 26 | M | 50.8 | Low | 49.5 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 126.7 | 168.4 | -70.3 | -154.8 | -99.6 | 0 | 0 | 109.7 | T24 M28 | T24-M26 PolarHBondContact O-N 2.94Å; T24-M26 VanDerWaalsContact O-N 3.08Å; M26-M28 PolarHBondContact O-N 3.38Å |
| 27 | P | 49.8 | Very low | 48.4 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130 | 175.6 | 28.6 | -31.4 | 0 | 0 | 0 | 109.7 | K29 | P27-K29 PolarHBondContact O-N 3.24Š|
| 28 | M | 46.9 | Very low | 47.7 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.2 | 177.3 | -55.3 | 178.2 | -168.3 | 0 | 0 | 109.2 | M26 T30 | M26-M28 PolarHBondContact O-N 3.38Å; M28-T30 PolarHBondContact O-N 3.03Å |
| 29 | K | 45.9 | Very low | 47.6 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -64.4 | 103.7 | 169.4 | -72.9 | -174.8 | 176.6 | -168.5 | 0 | 108.8 | P27 T31 | P27-K29 PolarHBondContact O-N 3.24Å; K29-T31 PolarHBondContact O-N 3.3Å | ||
| 30 | T | 40.9 | Very low | 46.9 | Very low | 129 Ų | 129 | 151 Ų | 151 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 101.7 | 162.1 | -72 | 0 | 0 | 0 | 0 | 107.7 | M28 Q32 | M28-T30 PolarHBondContact O-N 3.03Å; T30-Q32 PolarHBondContact O-N 2.96Å | ||
| 31 | T | 43.4 | Very low | 47.1 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 104.3 | 160.7 | -63.9 | 0 | 0 | 0 | 0 | 107.4 | K29 | K29-T31 PolarHBondContact O-N 3.3Š| ||
| 32 | Q | 36.9 | Very low | 46.5 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -143.4 | 135.8 | 148.7 | -162.7 | 165.3 | -2.5 | 0 | 0 | 109.5 | T30 | T30-Q32 PolarHBondContact O-N 2.96Š| ||
| 33 | A | 35.8 | Very low | 45.9 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 159.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 34 | A | 36.1 | Very low | 45.4 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 89.1 | 130.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 35 | S | 34.7 | Very low | 45 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 68.5 | 106.3 | 153.6 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 36 | H | 43.7 | Very low | 44.9 | Very low | 175 Ų | 175 | 134 Ų | 134 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | 24.7 | 115 | 123 | -105.3 | -101.3 | 0 | 0 | 0 | 117.7 | |||||
| 37 | D | 38.4 | Very low | 44.9 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 161.9 | 125.1 | 119.5 | -78.7 | -22.6 | 0 | 0 | 0 | 111.2 | |||||
| 38 | E | 43.1 | Very low | 44.7 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 168 | 154.7 | -79.2 | -82.1 | 159.1 | 0 | 0 | 109.5 | ||||
| 39 | P | 57 | Low | 44.8 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 62% | 0.623 | 79% | 0.793 | S | S | * | * | cis | -131.2 | -174.8 | -6.9 | 32.4 | -10.8 | 0 | 0 | 0 | 111.8 | ||||
| 40 | V | 41.9 | Very low | 44.9 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | 160.4 | 132.8 | 123.4 | -77.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 41 | A | 61.9 | Low | 45.2 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 148.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | S | 45.5 | Very low | 45.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -168 | 109 | 155.1 | -75.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 43 | G | 42.6 | Very low | 45.6 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | 87.2 | 139.1 | 96.2 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 44 | D | 48.6 | Very low | 46 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | cis | -170.6 | 141.9 | 7.3 | -163.7 | 4.5 | 0 | 0 | 0 | 103.8 | ||||
| 45 | A | 50.1 | Low | 46.3 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -95 | 120.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | N47 | A45-N47 PolarHBondContact O-N 3.42Š| ||
| 46 | P | 48.2 | Very low | 46.8 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 98.3 | 163.4 | 32 | -25.7 | 0 | 0 | 0 | 108.3 | G48 | P46-G48 PolarHBondContact O-N 2.88Š| ||
| 47 | N | 51.8 | Low | 46.9 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -65.2 | 84.1 | 155.5 | -167.3 | 38.2 | 0 | 0 | 0 | 107.7 | A45 | A45-N47 PolarHBondContact O-N 3.42Š| ||
| 48 | G | 44.5 | Very low | 47.1 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -96.9 | 71.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P46 | P46-G48 PolarHBondContact O-N 2.88Š| ||
| 49 | S | 50.9 | Low | 47.1 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -80.6 | 103.6 | 157.7 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 50 | D | 47.6 | Very low | 46.6 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -152 | 152.6 | 159.2 | -155.8 | 10 | 0 | 0 | 0 | 112 | ||||
| 51 | F | 46.8 | Very low | 46.8 | Very low | 196 Ų | 196 | 140 Ų | 140 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -61.3 | 149.6 | -156.1 | -87.9 | -119.9 | 0 | 0 | 0 | 118.1 | ||||
| 52 | G | 42 | Very low | 46.2 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -167.9 | 52.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 53 | F | 45.6 | Very low | 46.3 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 105.5 | 161.1 | -69.3 | -79.7 | 0 | 0 | 0 | 108.7 | ||||
| 54 | L | 44.3 | Very low | 46.7 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -149.3 | 118.2 | 152.9 | -70.8 | 177 | 0 | 0 | 0 | 102 | ||||
| 55 | D | 43.1 | Very low | 46.7 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | -165.1 | 107.8 | 72.6 | 24 | 20.6 | 0 | 0 | 0 | 111.6 | |||||
| 56 | E | 44.7 | Very low | 46.7 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -85.5 | 118.8 | 161.5 | -82.8 | 178.8 | 166.3 | 0 | 0 | 109 | ||||
| 57 | E | 46.3 | Very low | 46.7 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 101.8 | 173.2 | -166.8 | 176.2 | -156.5 | 0 | 0 | 109.9 | ||||
| 58 | H | 42.9 | Very low | 46.7 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | 64.7 | 84.6 | 136.7 | -147.2 | -69.5 | 0 | 0 | 0 | 120.3 | T60 | H58-T60 PolarHBondContact CE1-OG1 3.46Å; H58-T60 VanDerWaalsContact CE1-OG1 3.24Å | ||
| 59 | D | 43.2 | Very low | 47.3 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -100 | 120.9 | 153.3 | -75.3 | -38.1 | 0 | 0 | 0 | 110.5 | ||||
| 60 | T | 46.1 | Very low | 47.6 | Very low | 87 Ų | 87 | 156.8 Ų | 156.8 | 53% | 0.534 | 80% | 0.801 | S | S | . | * | trans | -135 | 104.3 | 163.8 | -55 | 0 | 0 | 0 | 0 | 108.1 | H58 | H58-T60 PolarHBondContact CE1-OG1 3.46Å; H58-T60 VanDerWaalsContact CE1-OG1 3.24Å | ||
| 61 | F | 47.1 | Very low | 48.1 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -135.6 | 103.6 | 153.3 | -112.6 | -87.8 | 0 | 0 | 0 | 107.3 | ||||
| 62 | D | 48.8 | Very low | 48.3 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 63% | 0.626 | 80% | 0.804 | S | S | * | * | trans | -57.4 | 129.6 | 169 | -71.1 | -37.6 | 0 | 0 | 0 | 110.1 | ||||
| 63 | N | 48 | Very low | 48.9 | Very low | 160 Ų | 160 | 159.7 Ų | 159.7 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 103.6 | 139.9 | -79.3 | -78.7 | 0 | 0 | 0 | 107.2 | ||||
| 64 | E | 49.8 | Very low | 49 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 126.3 | 167.6 | -53.8 | 173.2 | -176.5 | 0 | 0 | 108.1 | ||||
| 65 | D | 49.8 | Very low | 49.5 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -157.1 | 146.8 | 132.8 | -151.9 | -3 | 0 | 0 | 0 | 110.3 | ||||
| 66 | E | 49 | Very low | 49.7 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -90.2 | 154.2 | -152.8 | -66.2 | 177.1 | 134.8 | 0 | 0 | 114.2 | ||||
| 67 | T | 49.3 | Very low | 50 | Low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 45.3 | 122 | 140.5 | 61.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 68 | D | 51.4 | Low | 49.9 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | -176.5 | 128.9 | 96.5 | -99.8 | -21.4 | 0 | 0 | 0 | 111.2 | |||||
| 69 | D | 57 | Low | 50 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -76.3 | 116.9 | 170.7 | -55.7 | -58.8 | 0 | 0 | 0 | 108.9 | ||||
| 70 | E | 56.6 | Low | 50 | Low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -138.7 | 94.9 | 163.7 | -68.9 | -63.2 | -177.4 | 0 | 0 | 111.2 | F72 | E70-F72 VanDerWaalsContact C-N 3.35Å; E70-F72 PolarHBondContact O-N 3.22Å | ||
| 71 | D | 57.5 | Low | 49.6 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -61.9 | 90.7 | 159.4 | -79.4 | -40 | 0 | 0 | 0 | 109.7 | ||||
| 72 | F | 52.2 | Low | 49.6 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | trans | -103.3 | 85 | 169.1 | -163.2 | -103.2 | 0 | 0 | 0 | 111.8 | E70 | E70-F72 VanDerWaalsContact C-N 3.35Å; E70-F72 PolarHBondContact O-N 3.22Å | ||
| 73 | S | 55 | Low | 49 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -78.4 | 119.5 | 162.6 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | G | 46.3 | Very low | 49 | Very low | 61 Ų | 61 | 137.6 Ų | 137.6 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 82.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | S | 54.6 | Low | 48.6 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 123.4 | 161.9 | -132.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | G | 47.7 | Very low | 48 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -154.6 | 80.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 77 | D | 52.3 | Low | 47.5 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 132.7 | 156.9 | 178.6 | 24.2 | 0 | 0 | 0 | 109.1 | ||||
| 78 | G | 42.2 | Very low | 47.1 | Very low | 68 Ų | 68 | 137.1 Ų | 137.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -179.2 | 91.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 79 | V | 45 | Very low | 46.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 143.7 | 179.4 | 81.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 80 | T | 45.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 18.5 | 124.3 | 157.8 | 54.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 81 | T | 36.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -152.4 | 99 | 140.5 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 82 | I | 47.5 | Very low | 44.2 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -111.1 | 115.3 | 155.3 | -49.5 | -177.3 | 0 | 0 | 0 | 106.2 | I84 | I82-I84 PolarHBondContact O-N 2.87Š| ||
| 83 | T | 36.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -46.3 | 121.3 | -174.9 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 84 | I | 47.1 | Very low | 43.5 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 133.4 | 165.4 | -63.4 | -177.6 | 0 | 0 | 0 | 108.8 | I82 | I82-I84 PolarHBondContact O-N 2.87Š| ||
| 85 | K | 41.6 | Very low | 43.8 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -105.5 | 132.6 | 158.5 | -125 | -178 | -178.2 | 176.1 | 0 | 109.1 | ||||
| 86 | N | 37.4 | Very low | 43.9 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | trans | 97.6 | 100.8 | 160.2 | -63.1 | 25.8 | 0 | 0 | 0 | 117.9 | ||||
| 87 | D | 38.8 | Very low | 44.1 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | 62.7 | 97 | 124.4 | -43.4 | -23.5 | 0 | 0 | 0 | 118.6 | |||||
| 88 | N | 39.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | 164.2 | 147.3 | 111.5 | -81.3 | -14.4 | 0 | 0 | 0 | 113.7 | |||||
| 89 | A | 34.1 | Very low | 45.3 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -29.2 | 130.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 90 | M | 39.6 | Very low | 46.1 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | 27.3 | 105.6 | 123.2 | -172.2 | 102.1 | 77.7 | 0 | 0 | 117.9 | |||||
| 91 | T | 38.7 | Very low | 46.6 | Very low | 139 Ų | 139 | 143 Ų | 143 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | -176.5 | 144.2 | 119.3 | 16 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 92 | K | 49.9 | Very low | 47.5 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -45.4 | 145 | -178.8 | -69.5 | 171.9 | 172.2 | 177.7 | 0 | 113.8 | ||||
| 93 | P | 45.4 | Very low | 47.9 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -94.4 | 105.7 | 155.1 | 32.5 | -21.8 | 0 | 0 | 0 | 109.1 | ||||
| 94 | D | 47.9 | Very low | 48.7 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | trans | -89.4 | 134.1 | 161.5 | -153.9 | 4 | 0 | 0 | 0 | 108 | ||||
| 95 | M | 51.6 | Low | 49 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 54.9 | 102.5 | 150.7 | -76.9 | 157.1 | -162.3 | 0 | 0 | 120 | D97 | M95-D97 PolarHBondContact O-N 3.46Š|
| 96 | N | 56.7 | Low | 49.3 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 25.3 | 90.7 | 136.9 | 66.6 | -9.9 | 0 | 0 | 0 | 119.5 | ||||
| 97 | D | 52.5 | Low | 49.8 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -125.8 | 87.7 | 155.3 | -157.2 | 5.4 | 0 | 0 | 0 | 110 | M95 K99 | M95-D97 PolarHBondContact O-N 3.46Å; D97-K99 PolarHBondContact O-N 3.22Å; D97-K99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | N | 57.6 | Low | 50.4 | Low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -85.7 | 66.5 | 173.6 | -169.1 | 36 | 0 | 0 | 0 | 109.2 | I100 | N98-I100 PolarHBondContact O-N 3.48Š| ||
| 99 | K | 61.6 | Low | 50.8 | Low | 159 Ų | 159 | 146.6 Ų | 146.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -88.9 | 98.2 | 174.1 | -157.9 | 169.1 | -157.2 | -67.9 | 0 | 109 | D97 | D97-K99 PolarHBondContact O-N 3.22Å; D97-K99 VanDerWaalsContact O-N 3.14Å | ||
| 100 | I | 62.3 | Low | 51.9 | Low | 118 Ų | 118 | 151.2 Ų | 151.2 | 61% | 0.605 | 79% | 0.787 | S | S | * | * | trans | -66.5 | 133.2 | 168.6 | -56.6 | 174 | 0 | 0 | 0 | 107.3 | N98 D102 | N98-I100 PolarHBondContact O-N 3.48Å; I100-D102 PolarHBondContact O-N 2.95Å | ||
| 101 | P | 56.2 | Low | 52.2 | Low | 109 Ų | 109 | 147.3 Ų | 147.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -65.5 | 122.7 | 171.1 | -12.1 | 25.9 | 0 | 0 | 0 | 109.1 | L103 | P101-L103 PolarHBondContact O-N 3.48Š| ||
| 102 | D | 55.4 | Low | 53.2 | Low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -64.2 | 103.1 | 172.3 | -60.1 | -52.5 | 0 | 0 | 0 | 108.5 | I100 | I100-D102 PolarHBondContact O-N 2.95Š| ||
| 103 | L | 55.4 | Low | 53.6 | Low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -88.1 | 113.6 | 165.1 | -141.3 | 81.7 | 0 | 0 | 0 | 106.5 | P101 I105 | P101-L103 PolarHBondContact O-N 3.48Å; L103-I105 PolarHBondContact O-N 3.31Å | ||
| 104 | D | 54.1 | Low | 54.1 | Low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -52 | 105.4 | -179.1 | -66 | -50.3 | 0 | 0 | 0 | 111.5 | P106 | D104-P106 WeakPolarHBondContact O-CD 3.45Š| ||
| 105 | I | 52.5 | Low | 54.5 | Low | 153 Ų | 153 | 139.7 Ų | 139.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -90.7 | 106.7 | 169.8 | -58.3 | 169 | 0 | 0 | 0 | 107.2 | L103 L107 | L103-I105 PolarHBondContact O-N 3.31Å; I105-L107 PolarHBondContact O-N 3.48Å | ||
| 106 | P | 46.9 | Very low | 54.7 | Low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 123.7 | 167.6 | 27.2 | -30.8 | 0 | 0 | 0 | 109.1 | D104 R108 | D104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-R108 PolarHBondContact O-N 2.86Å | ||
| 107 | L | 48.3 | Very low | 54.8 | Low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -43.9 | 131.6 | 172.2 | -73.6 | 144.2 | 0 | 0 | 0 | 112.9 | I105 | I105-L107 PolarHBondContact O-N 3.48Š| ||
| 108 | R | 52.6 | Low | 55 | Low | 247 Ų | 247 | 136.4 Ų | 136.4 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | trans | 75 | 93.4 | 139.8 | -153.6 | -176.4 | -161.6 | -168.9 | 5.7 | 117.1 | P106 | P106-R108 PolarHBondContact O-N 2.86Š| ||
| 109 | S | 47 | Very low | 54.9 | Low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -122.8 | 120.7 | 145.6 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 110 | K | 57.7 | Low | 54.6 | Low | 189 Ų | 189 | 133.3 Ų | 133.3 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.4 | 172.3 | -174.9 | 179.1 | -176.3 | -178.4 | 0 | 107.3 | T112 | K110-T112 PolarHBondContact O-N 3.28Š|
| 111 | P | 45.1 | Very low | 54.5 | Low | 89 Ų | 89 | 136.5 Ų | 136.5 | 58% | 0.578 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.1 | -177.1 | 25 | -29.8 | 0 | 0 | 0 | 109.3 | ||
| 112 | T | 59.9 | Low | 54.7 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 55% | 0.546 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 148 | 170.3 | 5.4 | 0 | 0 | 0 | 0 | 109.7 | K110 N114 E115 | K110-T112 PolarHBondContact O-N 3.28Å; T112-N114 PolarHBondContact O-N 3.31Å; T112-E115 PolarHBondContact O-N 3.46Å |
| 113 | P | 58.6 | Low | 54.6 | Low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -58.2 | -17.3 | -171.2 | -24.2 | 33.6 | 0 | 0 | 0 | 115.6 | ||
| 114 | N | 57.1 | Low | 54.7 | Low | 123 Ų | 123 | 138.2 Ų | 138.2 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -91.1 | -8.1 | -169.7 | -60.3 | -3.8 | 0 | 0 | 0 | 114.1 | T112 | T112-N114 PolarHBondContact O-N 3.31Å |
| 115 | E | 54.8 | Low | 54.5 | Low | 124 Ų | 124 | 136 Ų | 136 | 58% | 0.579 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -88.6 | -23 | 175.1 | -69.6 | -179.2 | 173.6 | 0 | 0 | 112.3 | T112 E117 L118 V119 | T112-E115 PolarHBondContact O-N 3.46Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.08Å; E115-L118 PolarHBondContact O-N 3.15Å; E115-V119 WeakPolarHBondContact O-CG2 3.27Å; E115-V119 PolarHBondContact O-N 2.93Å |
| 116 | I | 57.4 | Low | 54.2 | Low | 98 Ų | 98 | 134.4 Ų | 134.4 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -68.4 | -34.8 | 179.4 | -44.9 | 174 | 0 | 0 | 0 | 110.1 | Q120 | I116-Q120 VanDerWaalsContact O-CB 3.27Å; I116-Q120 WeakPolarHBondContact O-CB 2.91Å; I116-Q120 PolarHBondContact O-N 2.84Å |
| 117 | E | 57.7 | Low | 54.5 | Low | 145 Ų | 145 | 135.1 Ų | 135.1 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.7 | -32.9 | -179.6 | -162.2 | 175.8 | -174 | 0 | 0 | 112.9 | E115 K121 | E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.08Å; E117-K121 PolarHBondContact O-N 2.82Å |
| 118 | L | 56.5 | Low | 54.6 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -74.7 | -35.9 | 176 | -107.9 | 81 | 0 | 0 | 0 | 112.6 | E115 | E115-L118 PolarHBondContact O-N 3.15Å |
| 119 | V | 56.6 | Low | 54.3 | Low | 95 Ų | 95 | 130.9 Ų | 130.9 | 58% | 0.576 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -74.5 | -34.4 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 111 | E115 K121 N122 N123 | E115-V119 WeakPolarHBondContact O-CG2 3.27Å; E115-V119 PolarHBondContact O-N 2.93Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.44Å; V119-N122 PolarHBondContact O-N 3.07Å; V119-N123 VanDerWaalsContact O-CB 3.24Å; V119-N123 WeakPolarHBondContact O-CB 3.36Å; V119-N123 PolarHBondContact O-N 2.77Å; V119-N123 VanDerWaalsContact O-N 3.12Å |
| 120 | Q | 55.6 | Low | 54.3 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -71.5 | -26.9 | 177 | -173.9 | 163.4 | -9.6 | 0 | 0 | 113.5 | I116 N122 | I116-Q120 VanDerWaalsContact O-CB 3.27Å; I116-Q120 WeakPolarHBondContact O-CB 2.91Å; I116-Q120 PolarHBondContact O-N 2.84Å; Q120-N122 VanDerWaalsContact C-N 3.35Å |
| 121 | K | 58.3 | Low | 53.8 | Low | 184 Ų | 184 | 126.7 Ų | 126.7 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.7 | -23.5 | 176.6 | -161.6 | 176.9 | -179.1 | 175.8 | 0 | 113.4 | E117 V119 | E117-K121 PolarHBondContact O-N 2.82Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.44Å |
| 122 | N | 60.4 | Low | 53.7 | Low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -114.8 | -2.1 | -172.4 | -69.5 | 0.4 | 0 | 0 | 0 | 114.3 | V119 Q120 | V119-N122 PolarHBondContact O-N 3.07Å; Q120-N122 VanDerWaalsContact C-N 3.35Å |
| 123 | N | 53 | Low | 53.4 | Low | 106 Ų | 106 | 132.6 Ų | 132.6 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | trans | -115.4 | 109.8 | -179.6 | -156.7 | 16.3 | 0 | 0 | 0 | 110.8 | V119 V125 | V119-N123 VanDerWaalsContact O-CB 3.24Å; V119-N123 WeakPolarHBondContact O-CB 3.36Å; V119-N123 PolarHBondContact O-N 2.77Å; V119-N123 VanDerWaalsContact O-N 3.12Å; N123-V125 PolarHBondContact O-N 3.01Å | ||
| 124 | E | 57.8 | Low | 52.9 | Low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | -74.3 | 59.2 | -179.9 | -170.6 | -164.2 | 147.3 | 0 | 0 | 111.9 | ||||
| 125 | V | 50.3 | Low | 52.8 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.655 | 73% | 0.728 | S | S | * | * | trans | -111.8 | 97.6 | 168.9 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | N123 V127 | N123-V125 PolarHBondContact O-N 3.01Å; V125-V127 PolarHBondContact O-N 3.24Å; V125-V127 VanDerWaalsContact O-N 3.09Å | ||
| 126 | S | 47.1 | Very low | 52.7 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -60.8 | 108.2 | -179 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | R128 | S126-R128 PolarHBondContact O-N 3.32Š| ||
| 127 | V | 51.7 | Low | 52.4 | Low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -69 | 121 | 167.2 | 171.7 | 0 | 0 | 0 | 0 | 108.4 | V125 G129 | V125-V127 PolarHBondContact O-N 3.24Å; V125-V127 VanDerWaalsContact O-N 3.09Å; V127-G129 PolarHBondContact O-N 3.29Å | ||
| 128 | R | 52.3 | Low | 52.4 | Low | 253 Ų | 253 | 140.2 Ų | 140.2 | 96% | 0.955 | 75% | 0.754 | S | S | * | * | trans | -63.5 | 108.5 | -176.4 | -152 | -179.8 | -171.5 | -174.4 | 3 | 111.5 | S126 | S126-R128 PolarHBondContact O-N 3.32Š| ||
| 129 | G | 44.4 | Very low | 52.4 | Low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -173.5 | 114.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V127 | V127-G129 PolarHBondContact O-N 3.29Š| ||
| 130 | A | 46.9 | Very low | 52.5 | Low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 131 | P | 49.1 | Very low | 52.5 | Low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -134.4 | 146.9 | -6.4 | 34.2 | -13.9 | 0 | 0 | 0 | 117.2 | ||||
| 132 | K | 42.2 | Very low | 52.2 | Low | 204 Ų | 204 | 142.9 Ų | 142.9 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | 58.9 | 161.2 | 157 | -100 | -173.9 | 176.9 | 177 | 0 | 120.1 | ||||
| 133 | P | 52.7 | Low | 51.9 | Low | 99 Ų | 99 | 141.1 Ų | 141.1 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -126.9 | 172.7 | -19.9 | 33.7 | -13.7 | 0 | 0 | 0 | 113.3 | ||||
| 134 | E | 49.8 | Very low | 51.9 | Low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 96 | 131.9 | 157.7 | -47.6 | -155.1 | 167.8 | 0 | 0 | 119.4 | ||||
| 135 | E | 53.3 | Low | 51.6 | Low | 151 Ų | 151 | 135.8 Ų | 135.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 46.5 | 102 | 157.4 | -65.2 | 174.6 | 163.5 | 0 | 0 | 114.5 | ||||
| 136 | Y | 52.5 | Low | 51.9 | Low | 210 Ų | 210 | 134 Ų | 134 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | -165 | 140.9 | 69.1 | -77 | -92.3 | 0 | 0 | 0 | 108.4 | S138 | Y136-S138 PolarHBondContact O-N 2.98Š| |||
| 137 | P | 52.1 | Low | 52.5 | Low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 114.9 | 176.4 | 29.7 | -30.6 | 0 | 0 | 0 | 110.3 | N139 | P137-N139 PolarHBondContact O-N 2.95Š| ||
| 138 | S | 57.4 | Low | 53 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 127.1 | 167.4 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | Y136 V140 | Y136-S138 PolarHBondContact O-N 2.98Å; S138-V140 PolarHBondContact O-N 3.48Å | ||
| 139 | N | 57.5 | Low | 53.6 | Low | 158 Ų | 158 | 123.9 Ų | 123.9 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -54.8 | 70.2 | 166.5 | 50.3 | -38.8 | 0 | 0 | 0 | 112.7 | P137 | P137-N139 PolarHBondContact O-N 2.95Š|
| 140 | V | 58.5 | Low | 54.5 | Low | 125 Ų | 125 | 126 Ų | 126 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | -134 | 68.4 | 162.4 | -167.3 | 0 | 0 | 0 | 0 | 108.5 | S138 | S138-V140 PolarHBondContact O-N 3.48Š| ||
| 141 | L | 54.7 | Low | 55.3 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | trans | -124.6 | 77.2 | 170.3 | -79.1 | 171.6 | 0 | 0 | 0 | 108.1 | ||||
| 142 | M | 53.1 | Low | 56.7 | Low | 191 Ų | 191 | 133.7 Ų | 133.7 | 94% | 0.941 | 71% | 0.711 | S | S | * | * | trans | -135.5 | 30.6 | 172.5 | -87.3 | -58.7 | 164.7 | 0 | 0 | 113.4 | ||||
| 143 | A | 53.5 | Low | 58.7 | Low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -147 | 25.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 144 | H | 52 | Low | 60.2 | Low | 85 Ų | 85 | 130.7 Ų | 130.7 | 39% | 0.394 | 70% | 0.697 | S | S | . | * | trans | -121.8 | 39.1 | 170.8 | -160.6 | 65.1 | 0 | 0 | 0 | 112.4 | G146 E147 | H144-G146 PolarHBondContact O-N 3.28Å; H144-E147 WeakPolarHBondContact CE1-CG 3.42Å; H144-E147 IonicContact CE1-OE1 3.26Å; H144-E147 PolarHBondContact CE1-OE1 3.49Å; H144-E147 VanDerWaalsContact CE1-OE1 3.26Å; H144-E147 WeakPolarHBondContact NE2-CG 3.01Å; H144-E147 IonicContact NE2-OE1 3.71Å | ||
| 145 | A | 53.1 | Low | 62 | Low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 58.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 146 | G | 56.8 | Low | 63.8 | Low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | -31.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H144 | H144-G146 PolarHBondContact O-N 3.28Š|
| 147 | E | 58.2 | Low | 65.5 | Low | 144 Ų | 144 | 120 Ų | 120 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | trans | -159.6 | 30.7 | -172 | 61.3 | -173.8 | 170.9 | 0 | 0 | 115 | H144 S149 | H144-E147 WeakPolarHBondContact CE1-CG 3.42Å; H144-E147 IonicContact CE1-OE1 3.26Å; H144-E147 PolarHBondContact CE1-OE1 3.49Å; H144-E147 VanDerWaalsContact CE1-OE1 3.26Å; H144-E147 WeakPolarHBondContact NE2-CG 3.01Å; H144-E147 IonicContact NE2-OE1 3.71Å; E147-S149 PolarHBondContact O-N 3.33Å | ||
| 148 | E | 62.4 | Low | 67.4 | Low | 123 Ų | 123 | 116.6 Ų | 116.6 | 58% | 0.575 | 64% | 0.643 | S | S | * | * | trans | -75.3 | 52.3 | 170.5 | 43.7 | -157.9 | -20.2 | 0 | 0 | 113.5 | ||||
| 149 | S | 64.5 | Low | 69.1 | Low | 26 Ų | 26 | 115.2 Ų | 115.2 | 18% | 0.182 | 64% | 0.638 | C | S | . | * | 66.8 | 72.5 | 126.5 | 72 | 0 | 0 | 0 | 0 | 118.7 | E147 F151 R152 | E147-S149 PolarHBondContact O-N 3.33Å; S149-F151 PolarHBondContact O-N 2.79Å; S149-R152 VanDerWaalsContact CB-CG 3.44Å; S149-R152 PolarHBondContact O-N 3.46Å; S149-R152 VanDerWaalsContact OG-CB 3.24Å; S149-R152 WeakPolarHBondContact OG-CB 3.1Å; S149-R152 WeakPolarHBondContact OG-CD 3.17Å; S149-R152 WeakPolarHBondContact OG-CG 3.49Å; S149-R152 PolarHBondContact OG-NE 3.35Å | |||
| 150 | I | 64.1 | Low | 70.9 | Confident | 118 Ų | 118 | 113.4 Ų | 113.4 | 61% | 0.605 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | -27 | 154.7 | -26.9 | -177 | 0 | 0 | 0 | 111 | V156 | I150-V156 HydrophobicContact CG2-CG1 4.25Å; I150-V156 HydrophobicContact CG2-CG2 4.46Å |
| 151 | F | 64.8 | Low | 72.5 | Confident | 169 Ų | 169 | 112.6 Ų | 112.6 | 74% | 0.741 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.5 | 176.5 | -60.1 | -69.9 | 0 | 0 | 0 | 116.3 | S149 | S149-F151 PolarHBondContact O-N 2.79Š|
| 152 | R | 76.6 | Confident | 74.5 | Confident | 209 Ų | 209 | 108.8 Ų | 108.8 | 79% | 0.789 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -15.6 | 172 | -72.2 | -179.9 | -155.2 | -103.1 | 1 | 112.4 | S149 T154 | S149-R152 VanDerWaalsContact CB-CG 3.44Å; S149-R152 PolarHBondContact O-N 3.46Å; S149-R152 VanDerWaalsContact OG-CB 3.24Å; S149-R152 WeakPolarHBondContact OG-CB 3.1Å; S149-R152 WeakPolarHBondContact OG-CD 3.17Å; S149-R152 WeakPolarHBondContact OG-CG 3.49Å; S149-R152 PolarHBondContact OG-NE 3.35Å; R152-T154 PolarHBondContact O-N 2.83Å |
| 153 | K | 84.8 | Confident | 76.5 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | trans | -73.4 | 105.9 | 174 | -60.8 | -171.9 | -179.4 | -167.2 | 0 | 108.7 | E155 V156 L157 | K153-E155 PolarHBondContact O-N 2.8Å; K153-V156 HydrophobicContact CB-CB 4.31Å; K153-V156 HydrophobicContact CB-CG2 3.96Å; K153-V156 HydrophobicContact CD-CG2 4.38Å; K153-V156 PolarHBondContact O-N 3.01Å; K153-V156 VanDerWaalsContact O-N 3.13Å; K153-L157 PolarHBondContact O-N 3.13Å; K153-L157 VanDerWaalsContact O-N 3.07Å | ||
| 154 | T | 84.9 | Confident | 78.6 | Confident | 108 Ų | 108 | 99 Ų | 99 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.8 | -28.5 | 178.1 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | R152 A158 | R152-T154 PolarHBondContact O-N 2.83Å; T154-A158 WeakPolarHBondContact O-CB 3.13Å; T154-A158 PolarHBondContact O-N 3.48Å |
| 155 | E | 87.1 | Confident | 80.7 | Confident | 160 Ų | 160 | 97.5 Ų | 97.5 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.6 | -50 | 173.3 | -65.3 | 172.4 | -165.2 | 0 | 0 | 112.3 | K153 A158 A159 | K153-E155 PolarHBondContact O-N 2.8Å; E155-A158 PolarHBondContact O-N 3.37Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.85Å |
| 156 | V | 90.5 | Very high | 82.8 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.6 | -41.6 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | I150 K153 A158 A159 L160 | I150-V156 HydrophobicContact CG2-CG1 4.25Å; I150-V156 HydrophobicContact CG2-CG2 4.46Å; K153-V156 HydrophobicContact CB-CB 4.31Å; K153-V156 HydrophobicContact CB-CG2 3.96Å; K153-V156 HydrophobicContact CD-CG2 4.38Å; K153-V156 PolarHBondContact O-N 3.01Å; K153-V156 VanDerWaalsContact O-N 3.13Å; V156-A158 PolarHBondContact O-N 3.42Å; V156-A159 PolarHBondContact O-N 2.91Å; V156-L160 WeakPolarHBondContact O-CB 3.23Å; V156-L160 PolarHBondContact O-N 3.5Å |
| 157 | L | 89.4 | Confident | 84.7 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.3 | -174.8 | 69.8 | 0 | 0 | 0 | 111.6 | K153 L160 I161 | K153-L157 PolarHBondContact O-N 3.13Å; K153-L157 VanDerWaalsContact O-N 3.07Å; L157-L160 PolarHBondContact O-N 2.96Å; L157-I161 HydrophobicContact CD1-CD1 4.22Å; L157-I161 HydrophobicContact CG-CD1 3.88Å; L157-I161 WeakPolarHBondContact O-CB 3.37Å; L157-I161 WeakPolarHBondContact O-CD1 3.43Å; L157-I161 VanDerWaalsContact O-CG1 3.22Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 2.91Å |
| 158 | A | 92.1 | Very high | 86.5 | Confident | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T154 E155 V156 L160 I161 A162 | T154-A158 WeakPolarHBondContact O-CB 3.13Å; T154-A158 PolarHBondContact O-N 3.48Å; E155-A158 PolarHBondContact O-N 3.37Å; V156-A158 PolarHBondContact O-N 3.42Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.21Å; A158-I161 PolarHBondContact O-N 2.81Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.23Å; A158-A162 PolarHBondContact O-N 3.38Å |
| 159 | A | 93.3 | Very high | 88.1 | Confident | 64 Ų | 64 | 93.3 Ų | 93.3 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E155 V156 G163 | E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.85Å; V156-A159 PolarHBondContact O-N 2.91Å; A159-G163 WeakPolarHBondContact O-CA 3.4Å; A159-G163 PolarHBondContact O-N 3.37Å |
| 160 | L | 93.6 | Very high | 89.6 | Confident | 120 Ų | 120 | 98.2 Ų | 98.2 | 63% | 0.628 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -41.3 | 177.8 | -157.1 | 95.2 | 0 | 0 | 0 | 112 | V156 L157 A158 G164 | V156-L160 WeakPolarHBondContact O-CB 3.23Å; V156-L160 PolarHBondContact O-N 3.5Å; L157-L160 PolarHBondContact O-N 2.96Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.21Å; L160-G164 WeakPolarHBondContact O-CA 3.27Å; L160-G164 PolarHBondContact O-N 3.09Å |
| 161 | I | 93.8 | Very high | 91.1 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.8 | -44.7 | 177.8 | -67.5 | 164.3 | 0 | 0 | 0 | 110.6 | L157 A158 A165 | L157-I161 HydrophobicContact CD1-CD1 4.22Å; L157-I161 HydrophobicContact CG-CD1 3.88Å; L157-I161 WeakPolarHBondContact O-CB 3.37Å; L157-I161 WeakPolarHBondContact O-CD1 3.43Å; L157-I161 VanDerWaalsContact O-CG1 3.22Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 2.91Å; A158-I161 PolarHBondContact O-N 2.81Å; I161-A165 VanDerWaalsContact O-CB 3.24Å; I161-A165 WeakPolarHBondContact O-CB 3.45Å; I161-A165 PolarHBondContact O-N 3.07Å |
| 162 | A | 95.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 90.5 Ų | 90.5 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -48.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A158 G164 A165 V166 | A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.23Å; A158-A162 PolarHBondContact O-N 3.38Å; A162-G164 VanDerWaalsContact C-N 3.34Å; A162-G164 PolarHBondContact O-N 3.42Å; A162-A165 PolarHBondContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CB 3.3Å; A162-V166 VanDerWaalsContact O-CG2 3.24Å; A162-V166 WeakPolarHBondContact O-CG2 3.34Å; A162-V166 PolarHBondContact O-N 3.45Å |
| 163 | G | 96.2 | Very high | 93.3 | Very high | 45 Ų | 45 | 86.8 Ų | 86.8 | 46% | 0.464 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A159 G167 | A159-G163 WeakPolarHBondContact O-CA 3.4Å; A159-G163 PolarHBondContact O-N 3.37Å; G163-G167 WeakPolarHBondContact O-CA 3.31Å; G163-G167 PolarHBondContact O-N 3.39Å |
| 164 | G | 96.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 84.7 Ų | 84.7 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L160 A162 L168 | L160-G164 WeakPolarHBondContact O-CA 3.27Å; L160-G164 PolarHBondContact O-N 3.09Å; A162-G164 VanDerWaalsContact C-N 3.34Å; A162-G164 PolarHBondContact O-N 3.42Å; G164-L168 WeakPolarHBondContact O-CB 3.24Å; G164-L168 PolarHBondContact O-N 3.42Å |
| 165 | A | 96.3 | Very high | 94 | Very high | 53 Ų | 53 | 83.5 Ų | 83.5 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I161 A162 L169 | I161-A165 VanDerWaalsContact O-CB 3.24Å; I161-A165 WeakPolarHBondContact O-CB 3.45Å; I161-A165 PolarHBondContact O-N 3.07Å; A162-A165 PolarHBondContact O-N 3.16Å; A165-L169 WeakPolarHBondContact O-CB 3.4Å; A165-L169 VanDerWaalsContact O-CG 3.29Å; A165-L169 WeakPolarHBondContact O-CG 3.38Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.07Å |
| 166 | V | 97.2 | Very high | 94.1 | Very high | 100 Ų | 100 | 80.7 Ų | 80.7 | 61% | 0.606 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | A162 L169 F170 | A162-V166 WeakPolarHBondContact O-CB 3.3Å; A162-V166 VanDerWaalsContact O-CG2 3.24Å; A162-V166 WeakPolarHBondContact O-CG2 3.34Å; A162-V166 PolarHBondContact O-N 3.45Å; V166-L169 PolarHBondContact O-N 3.17Å; V166-F170 VanDerWaalsContact O-CB 3.27Å; V166-F170 WeakPolarHBondContact O-CB 3.29Å; V166-F170 PolarHBondContact O-N 3.35Å |
| 167 | G | 96.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 82.4 Ų | 82.4 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G163 F170 A171 | G163-G167 WeakPolarHBondContact O-CA 3.31Å; G163-G167 PolarHBondContact O-N 3.39Å; G167-F170 PolarHBondContact O-N 2.91Å; G167-A171 VanDerWaalsContact O-CB 3.31Å; G167-A171 WeakPolarHBondContact O-CB 3.48Å; G167-A171 PolarHBondContact O-N 3.06Å |
| 168 | L | 95.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 83.3 Ų | 83.3 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -44 | 175.9 | -175.2 | 144.7 | 0 | 0 | 0 | 111.5 | G164 F170 A171 V172 | G164-L168 WeakPolarHBondContact O-CB 3.24Å; G164-L168 PolarHBondContact O-N 3.42Å; L168-F170 VanDerWaalsContact C-N 3.3Å; L168-F170 PolarHBondContact O-N 3.4Å; L168-A171 PolarHBondContact O-N 3.3Å; L168-V172 HydrophobicContact CD2-CG2 4.44Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.05Å |
| 169 | L | 95.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.7 | -46.2 | 173 | -73.5 | 172.9 | 0 | 0 | 0 | 110.6 | A165 V166 A171 V172 F173 | A165-L169 WeakPolarHBondContact O-CB 3.4Å; A165-L169 VanDerWaalsContact O-CG 3.29Å; A165-L169 WeakPolarHBondContact O-CG 3.38Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.07Å; V166-L169 PolarHBondContact O-N 3.17Å; L169-A171 PolarHBondContact O-N 2.91Å; L169-V172 PolarHBondContact O-N 3.43Å; L169-F173 VanDerWaalsContact O-CD2 3.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.4Å; L169-F173 PolarHBondContact O-N 3.24Å |
| 170 | F | 96.5 | Very high | 92.8 | Very high | 129 Ų | 129 | 88.4 Ų | 88.4 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 178 | -172 | -109.1 | 0 | 0 | 0 | 112.4 | V166 G167 L168 V172 F173 L174 | V166-F170 VanDerWaalsContact O-CB 3.27Å; V166-F170 WeakPolarHBondContact O-CB 3.29Å; V166-F170 PolarHBondContact O-N 3.35Å; G167-F170 PolarHBondContact O-N 2.91Å; L168-F170 VanDerWaalsContact C-N 3.3Å; L168-F170 PolarHBondContact O-N 3.4Å; F170-V172 PolarHBondContact O-N 2.99Å; F170-F173 WeakPolarHBondContact O-CB 3.35Å; F170-F173 PolarHBondContact O-N 3.31Å; F170-L174 HydrophobicContact CD1-CD1 3.92Å; F170-L174 HydrophobicContact CD1-CG 4.24Å; F170-L174 HydrophobicContact CE1-CD1 3.57Å; F170-L174 HydrophobicContact CE1-CD2 4.3Å; F170-L174 HydrophobicContact CE1-CG 3.98Å; F170-L174 HydrophobicContact CZ-CD1 4.21Å; F170-L174 HydrophobicContact CZ-CD2 4.11Å; F170-L174 HydrophobicContact CZ-CG 4.22Å; F170-L174 WeakPolarHBondContact O-CG 3.24Å; F170-L174 PolarHBondContact O-N 2.97Å |
| 171 | A | 95.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 90 Ų | 90 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G167 L168 L169 F173 L174 V175 | G167-A171 VanDerWaalsContact O-CB 3.31Å; G167-A171 WeakPolarHBondContact O-CB 3.48Å; G167-A171 PolarHBondContact O-N 3.06Å; L168-A171 PolarHBondContact O-N 3.3Å; L169-A171 PolarHBondContact O-N 2.91Å; A171-F173 VanDerWaalsContact C-N 3.34Å; A171-F173 PolarHBondContact O-N 3.04Å; A171-L174 PolarHBondContact O-N 3.34Å; A171-V175 WeakPolarHBondContact O-CG2 3.16Å; A171-V175 PolarHBondContact O-N 3.41Å |
| 172 | V | 95.3 | Very high | 91.1 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L168 L169 F170 L174 V175 L176 | L168-V172 HydrophobicContact CD2-CG2 4.44Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.05Å; L169-V172 PolarHBondContact O-N 3.43Å; F170-V172 PolarHBondContact O-N 2.99Å; V172-L174 VanDerWaalsContact C-N 3.34Å; V172-L174 PolarHBondContact O-N 3.37Å; V172-V175 PolarHBondContact O-N 2.97Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.33Å; V172-L176 WeakPolarHBondContact O-CB 3.37Å; V172-L176 WeakPolarHBondContact O-CG 3.23Å; V172-L176 PolarHBondContact O-N 3.05Å |
| 173 | F | 92.6 | Very high | 90.1 | Very high | 130 Ų | 130 | 94 Ų | 94 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 173.8 | -89.8 | -71.6 | 0 | 0 | 0 | 112.6 | L169 F170 A171 L176 L177 | L169-F173 VanDerWaalsContact O-CD2 3.23Å; L169-F173 WeakPolarHBondContact O-CD2 3.4Å; L169-F173 PolarHBondContact O-N 3.24Å; F170-F173 WeakPolarHBondContact O-CB 3.35Å; F170-F173 PolarHBondContact O-N 3.31Å; A171-F173 VanDerWaalsContact C-N 3.34Å; A171-F173 PolarHBondContact O-N 3.04Å; F173-L176 PolarHBondContact O-N 3.4Å; F173-L177 VanDerWaalsContact O-CB 3.23Å; F173-L177 WeakPolarHBondContact O-CB 3.12Å; F173-L177 WeakPolarHBondContact O-CG 3.45Å; F173-L177 PolarHBondContact O-N 3.08Å |
| 174 | L | 91.3 | Very high | 88.6 | Confident | 88 Ų | 88 | 97 Ų | 97 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.3 | -71.8 | -178.8 | 0 | 0 | 0 | 111.9 | F170 A171 V172 L177 L178 | F170-L174 HydrophobicContact CD1-CD1 3.92Å; F170-L174 HydrophobicContact CD1-CG 4.24Å; F170-L174 HydrophobicContact CE1-CD1 3.57Å; F170-L174 HydrophobicContact CE1-CD2 4.3Å; F170-L174 HydrophobicContact CE1-CG 3.98Å; F170-L174 HydrophobicContact CZ-CD1 4.21Å; F170-L174 HydrophobicContact CZ-CD2 4.11Å; F170-L174 HydrophobicContact CZ-CG 4.22Å; F170-L174 WeakPolarHBondContact O-CG 3.24Å; F170-L174 PolarHBondContact O-N 2.97Å; A171-L174 PolarHBondContact O-N 3.34Å; V172-L174 VanDerWaalsContact C-N 3.34Å; V172-L174 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 PolarHBondContact O-N 3.26Å |
| 175 | V | 92.7 | Very high | 86.9 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | A171 V172 L178 I179 | A171-V175 WeakPolarHBondContact O-CG2 3.16Å; A171-V175 PolarHBondContact O-N 3.41Å; V172-V175 PolarHBondContact O-N 2.97Å; V175-L178 PolarHBondContact O-N 3.46Å; V175-L178 VanDerWaalsContact O-N 3.17Å; V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.43Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.24Å |
| 176 | L | 88.6 | Confident | 84.8 | Confident | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.2 | -73.6 | 173.1 | 0 | 0 | 0 | 111.5 | V172 F173 L178 Y180 | V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.33Å; V172-L176 WeakPolarHBondContact O-CB 3.37Å; V172-L176 WeakPolarHBondContact O-CG 3.23Å; V172-L176 PolarHBondContact O-N 3.05Å; F173-L176 PolarHBondContact O-N 3.4Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-Y180 WeakPolarHBondContact O-CA 3.22Å; L176-Y180 WeakPolarHBondContact O-CB 3.4Å; L176-Y180 PolarHBondContact O-N 2.81Å |
| 177 | L | 85.4 | Confident | 82.8 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 174 | -82.5 | 174.7 | 0 | 0 | 0 | 111.4 | F173 L174 Y180 R181 | F173-L177 VanDerWaalsContact O-CB 3.23Å; F173-L177 WeakPolarHBondContact O-CB 3.12Å; F173-L177 WeakPolarHBondContact O-CG 3.45Å; F173-L177 PolarHBondContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 3.18Å; L177-Y180 HydrophobicContact CD2-CD1 4.37Å; L177-R181 WeakPolarHBondContact O-CA 3.44Å; L177-R181 WeakPolarHBondContact O-CB 3.32Å; L177-R181 PolarHBondContact O-N 2.76Å |
| 178 | L | 85.9 | Confident | 81 | Confident | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -49.8 | 177.8 | -172.2 | 65 | 0 | 0 | 0 | 109.9 | L174 V175 L176 Y180 R181 M182 | L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 PolarHBondContact O-N 3.26Å; V175-L178 PolarHBondContact O-N 3.46Å; V175-L178 VanDerWaalsContact O-N 3.17Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L178-Y180 VanDerWaalsContact C-N 3.34Å; L178-Y180 PolarHBondContact O-N 2.8Å; L178-R181 PolarHBondContact O-N 3.37Å; L178-M182 HydrophobicContact CD1-CG 4.48Å; L178-M182 HydrophobicContact CD1-SD 4.29Å; L178-M182 HydrophobicContact CG-SD 4Å; L178-M182 VanDerWaalsContact O-CB 3.23Å; L178-M182 WeakPolarHBondContact O-CB 3.49Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.9Å |
| 179 | I | 85.6 | Confident | 79.2 | Confident | 103 Ų | 103 | 105 Ų | 105 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.2 | -63.8 | 165.3 | 0 | 0 | 0 | 110.6 | V175 M182 K183 | V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.43Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.24Å; I179-M182 PolarHBondContact O-N 3.43Å; I179-K183 WeakPolarHBondContact O-CB 3.49Å; I179-K183 PolarHBondContact O-N 3.07Å |
| 180 | Y | 82.6 | Confident | 77.4 | Confident | 123 Ų | 123 | 109 Ų | 109 | 48% | 0.482 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.9 | 171.1 | -96.3 | 0 | 0 | 0 | 112 | L176 L177 L178 M182 K184 | L176-Y180 WeakPolarHBondContact O-CA 3.22Å; L176-Y180 WeakPolarHBondContact O-CB 3.4Å; L176-Y180 PolarHBondContact O-N 2.81Å; L177-Y180 HydrophobicContact CD2-CD1 4.37Å; L178-Y180 VanDerWaalsContact C-N 3.34Å; L178-Y180 PolarHBondContact O-N 2.8Å; Y180-M182 VanDerWaalsContact C-N 3.31Å; Y180-K184 HydrophobicContact CD1-CD 4.44Å; Y180-K184 HydrophobicContact CD2-CD 4.15Å; Y180-K184 HydrophobicContact CE1-CD 3.87Å; Y180-K184 HydrophobicContact CE2-CD 3.56Å; Y180-K184 HydrophobicContact CE2-CG 4.4Å; Y180-K184 VanDerWaalsContact CE2-NZ 3.28Å; Y180-K184 VanDerWaalsContact CZ-CD 3.41Å; Y180-K184 VanDerWaalsContact CZ-NZ 3.27Å; Y180-K184 VanDerWaalsContact O-CB 3.28Å; Y180-K184 WeakPolarHBondContact O-CB 3.06Å; Y180-K184 WeakPolarHBondContact O-CG 3.2Å; Y180-K184 PolarHBondContact O-N 3.42Å; Y180-K184 WeakPolarHBondContact OH-CE 3.37Å; Y180-K184 PolarHBondContact OH-NZ 3.09Å |
| 181 | R | 80.4 | Confident | 75.6 | Confident | 153 Ų | 153 | 109.1 Ų | 109.1 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.1 | -33.2 | 178.4 | -166 | -169.8 | -176 | -156.3 | -9.8 | 109.4 | L177 L178 K185 | L177-R181 WeakPolarHBondContact O-CA 3.44Å; L177-R181 WeakPolarHBondContact O-CB 3.32Å; L177-R181 PolarHBondContact O-N 2.76Å; L178-R181 PolarHBondContact O-N 3.37Å; R181-K185 VanDerWaalsContact CD-CE 3.48Å; R181-K185 HydrophobicContact CG-CD 3.68Å; R181-K185 VanDerWaalsContact CG-CE 3.47Å; R181-K185 HydrophobicContact CG-CG 4.03Å; R181-K185 WeakPolarHBondContact O-CA 3.24Å; R181-K185 WeakPolarHBondContact O-CB 3.11Å; R181-K185 VanDerWaalsContact O-CD 3.27Å; R181-K185 WeakPolarHBondContact O-CD 3.24Å; R181-K185 WeakPolarHBondContact O-CG 3.38Å; R181-K185 PolarHBondContact O-N 3.22Å |
| 182 | M | 71.6 | Confident | 73.9 | Confident | 97 Ų | 97 | 114 Ų | 114 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.1 | -52.1 | 172.6 | -72.5 | 177.8 | 77.5 | 0 | 0 | 110.8 | L178 I179 Y180 K184 K185 D186 | L178-M182 HydrophobicContact CD1-CG 4.48Å; L178-M182 HydrophobicContact CD1-SD 4.29Å; L178-M182 HydrophobicContact CG-SD 4Å; L178-M182 VanDerWaalsContact O-CB 3.23Å; L178-M182 WeakPolarHBondContact O-CB 3.49Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.9Å; I179-M182 PolarHBondContact O-N 3.43Å; Y180-M182 VanDerWaalsContact C-N 3.31Å; M182-K184 PolarHBondContact O-N 3.12Å; M182-K184 VanDerWaalsContact O-N 3.08Å; M182-K185 PolarHBondContact O-N 3.31Å; M182-D186 WeakPolarHBondContact O-CB 3.21Å; M182-D186 PolarHBondContact O-N 3.47Å |
| 183 | K | 72.9 | Confident | 72.4 | Confident | 153 Ų | 153 | 113.5 Ų | 113.5 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -55.2 | -31.9 | 175.4 | -176.9 | 172.2 | 170.6 | 173.2 | 0 | 112.9 | I179 | I179-K183 WeakPolarHBondContact O-CB 3.49Å; I179-K183 PolarHBondContact O-N 3.07Å |
| 184 | K | 65.3 | Low | 71 | Confident | 108 Ų | 108 | 115.2 Ų | 115.2 | 47% | 0.47 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -94.6 | -22.7 | 175.4 | -68.7 | -167.3 | 173.3 | -168.2 | 0 | 115.1 | Y180 M182 E187 G188 | Y180-K184 HydrophobicContact CD1-CD 4.44Å; Y180-K184 HydrophobicContact CD2-CD 4.15Å; Y180-K184 HydrophobicContact CE1-CD 3.87Å; Y180-K184 HydrophobicContact CE2-CD 3.56Å; Y180-K184 HydrophobicContact CE2-CG 4.4Å; Y180-K184 VanDerWaalsContact CE2-NZ 3.28Å; Y180-K184 VanDerWaalsContact CZ-CD 3.41Å; Y180-K184 VanDerWaalsContact CZ-NZ 3.27Å; Y180-K184 VanDerWaalsContact O-CB 3.28Å; Y180-K184 WeakPolarHBondContact O-CB 3.06Å; Y180-K184 WeakPolarHBondContact O-CG 3.2Å; Y180-K184 PolarHBondContact O-N 3.42Å; Y180-K184 WeakPolarHBondContact OH-CE 3.37Å; Y180-K184 PolarHBondContact OH-NZ 3.09Å; M182-K184 PolarHBondContact O-N 3.12Å; M182-K184 VanDerWaalsContact O-N 3.08Å; K184-E187 PolarHBondContact O-N 3.5Å; K184-G188 PolarHBondContact O-N 3.47Å |
| 185 | K | 60.9 | Low | 69.8 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 44% | 0.439 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80.7 | -25.7 | 173.2 | -81.8 | 170.9 | 165.1 | 175.9 | 0 | 112.3 | R181 M182 G188 S189 | R181-K185 VanDerWaalsContact CD-CE 3.48Å; R181-K185 HydrophobicContact CG-CD 3.68Å; R181-K185 VanDerWaalsContact CG-CE 3.47Å; R181-K185 HydrophobicContact CG-CG 4.03Å; R181-K185 WeakPolarHBondContact O-CA 3.24Å; R181-K185 WeakPolarHBondContact O-CB 3.11Å; R181-K185 VanDerWaalsContact O-CD 3.27Å; R181-K185 WeakPolarHBondContact O-CD 3.24Å; R181-K185 WeakPolarHBondContact O-CG 3.38Å; R181-K185 PolarHBondContact O-N 3.22Å; M182-K185 PolarHBondContact O-N 3.31Å; K185-G188 VanDerWaalsContact C-N 3.34Å; K185-G188 VanDerWaalsContact O-CA 3.26Å; K185-G188 WeakPolarHBondContact O-CA 3.27Å; K185-G188 PolarHBondContact O-N 3.49Å; K185-S189 PolarHBondContact O-N 3.26Å |
| 186 | D | 52.3 | Low | 68.6 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -76.5 | -15.7 | 170.6 | -65 | -21.7 | 0 | 0 | 0 | 111.1 | M182 G188 | M182-D186 WeakPolarHBondContact O-CB 3.21Å; M182-D186 PolarHBondContact O-N 3.47Å; D186-G188 VanDerWaalsContact C-N 3.35Å |
| 187 | E | 53.9 | Low | 67.5 | Low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -86.6 | -6.3 | 160.4 | -65.9 | -175.9 | -174 | 0 | 0 | 112.9 | K184 S189 | K184-E187 PolarHBondContact O-N 3.5Å; E187-S189 VanDerWaalsContact C-N 3.34Å |
| 188 | G | 59.3 | Low | 66.6 | Low | 45 Ų | 45 | 127.6 Ų | 127.6 | 46% | 0.464 | 63% | 0.633 | S | S | . | * | trans | -83.1 | -10 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K184 K185 D186 Y190 | K184-G188 PolarHBondContact O-N 3.47Å; K185-G188 VanDerWaalsContact C-N 3.34Å; K185-G188 VanDerWaalsContact O-CA 3.26Å; K185-G188 WeakPolarHBondContact O-CA 3.27Å; K185-G188 PolarHBondContact O-N 3.49Å; D186-G188 VanDerWaalsContact C-N 3.35Å; G188-Y190 VanDerWaalsContact O-CD2 3.32Å; G188-Y190 WeakPolarHBondContact O-CD2 3.38Å; G188-Y190 PolarHBondContact O-N 3.14Å | ||
| 189 | S | 57.3 | Low | 65.6 | Low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -72 | 88.1 | 153.6 | -167 | 0 | 0 | 0 | 0 | 106.3 | K185 E187 | K185-S189 PolarHBondContact O-N 3.26Å; E187-S189 VanDerWaalsContact C-N 3.34Å |
| 190 | Y | 58 | Low | 64.7 | Low | 189 Ų | 189 | 135.1 Ų | 135.1 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | trans | -0.5 | 135.6 | 147.7 | -71.4 | -95.2 | 0 | 0 | 0 | 113.4 | G188 L192 | G188-Y190 VanDerWaalsContact O-CD2 3.32Å; G188-Y190 WeakPolarHBondContact O-CD2 3.38Å; G188-Y190 PolarHBondContact O-N 3.14Å; Y190-L192 HydrophobicContact CG-CD1 4.4Å; Y190-L192 WeakPolarHBondContact O-CD1 3.2Å; Y190-L192 PolarHBondContact O-N 3Å | ||
| 191 | D | 59.8 | Low | 64.1 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -55.3 | 61.8 | 169.3 | -156.1 | 13.3 | 0 | 0 | 0 | 112.5 | G193 | D191-G193 PolarHBondContact O-N 3.42Š|
| 192 | L | 59.4 | Low | 63.5 | Low | 151 Ų | 151 | 131.3 Ų | 131.3 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -1.5 | 175.5 | -96.8 | 89.7 | 0 | 0 | 0 | 111.1 | Y190 | Y190-L192 HydrophobicContact CG-CD1 4.4Å; Y190-L192 WeakPolarHBondContact O-CD1 3.2Å; Y190-L192 PolarHBondContact O-N 3Å |
| 193 | G | 64 | Low | 63.2 | Low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -9.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | D191 | D191-G193 PolarHBondContact O-N 3.42Š|
| 194 | K | 64.4 | Low | 62.5 | Low | 165 Ų | 165 | 130.8 Ų | 130.8 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -136.5 | 61.3 | -164.5 | -52.6 | -168.8 | -166.1 | -172.3 | 0 | 115.2 | ||
| 195 | K | 64.9 | Low | 62.5 | Low | 177 Ų | 177 | 133.9 Ų | 133.9 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -176.4 | 114.3 | 141.4 | 37 | -159.3 | 157.4 | 174.4 | 0 | 109.1 | I197 | K195-I197 PolarHBondContact O-N 3.35Š| ||
| 196 | P | 67.5 | Low | 62.6 | Low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -57.3 | 116.8 | 164.3 | 24.1 | -30.6 | 0 | 0 | 0 | 107.3 | Y198 | P196-Y198 PolarHBondContact O-N 2.9Š| ||
| 197 | I | 66.4 | Low | 62.8 | Low | 168 Ų | 168 | 140.8 Ų | 140.8 | 86% | 0.862 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -67.5 | 15.2 | 177.4 | -68.5 | 169.4 | 0 | 0 | 0 | 111.3 | K195 | K195-I197 PolarHBondContact O-N 3.35Š|
| 198 | Y | 64.8 | Low | 63.2 | Low | 172 Ų | 172 | 141.7 Ų | 141.7 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -151.6 | 102.5 | 174.5 | -160.9 | -120.1 | 0 | 0 | 0 | 111 | P196 K200 | P196-Y198 PolarHBondContact O-N 2.9Å; Y198-K200 HydrophobicContact CD1-CG 3.73Å; Y198-K200 HydrophobicContact CE1-CB 4.42Å; Y198-K200 HydrophobicContact CE1-CD 4.29Å; Y198-K200 HydrophobicContact CE1-CG 3.42Å; Y198-K200 VanDerWaalsContact CE1-CG 3.42Å | ||
| 199 | K | 66.5 | Low | 63.3 | Low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -84.2 | 112 | 154.9 | -84.3 | -167.5 | 174.5 | -174.1 | 0 | 106.8 | A201 | K199-A201 PolarHBondContact O-N 3.29Š| ||
| 200 | K | 66.8 | Low | 63.7 | Low | 168 Ų | 168 | 149.5 Ų | 149.5 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 130.2 | 166.4 | -70.6 | -165.9 | -179.8 | -169.2 | 0 | 108.1 | Y198 | Y198-K200 HydrophobicContact CD1-CG 3.73Å; Y198-K200 HydrophobicContact CE1-CB 4.42Å; Y198-K200 HydrophobicContact CE1-CD 4.29Å; Y198-K200 HydrophobicContact CE1-CG 3.42Å; Y198-K200 VanDerWaalsContact CE1-CG 3.42Å | ||
| 201 | A | 70 | Confident | 64 | Low | 76 Ų | 76 | 147.3 Ų | 147.3 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | trans | -60.2 | 142.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K199 T203 | K199-A201 PolarHBondContact O-N 3.29Å; A201-T203 PolarHBondContact O-N 3.22Å | ||
| 202 | P | 67.4 | Low | 64.2 | Low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 103.6 | 173.1 | -19.6 | 30.4 | 0 | 0 | 0 | 109.4 | T204 | P202-T204 VanDerWaalsContact C-N 3.32Å; P202-T204 PolarHBondContact O-N 2.97Å | ||
| 203 | T | 66 | Low | 64.5 | Low | 121 Ų | 121 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 95.3 | 167.3 | 50.2 | 0 | 0 | 0 | 0 | 106.2 | A201 E205 | A201-T203 PolarHBondContact O-N 3.22Å; T203-E205 PolarHBondContact O-N 3.49Å | ||
| 204 | T | 58.2 | Low | 64.6 | Low | 119 Ų | 119 | 153.3 Ų | 153.3 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -63.9 | 91 | 167.8 | 53 | 0 | 0 | 0 | 0 | 107.7 | P202 I206 | P202-T204 VanDerWaalsContact C-N 3.32Å; P202-T204 PolarHBondContact O-N 2.97Å; T204-I206 PolarHBondContact O-N 3.25Å | ||
| 205 | E | 64.9 | Low | 64.6 | Low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -67.1 | 81.5 | 158.8 | 43.4 | -163.4 | 146.6 | 0 | 0 | 108 | T203 | T203-E205 PolarHBondContact O-N 3.49Š| ||
| 206 | I | 62.8 | Low | 64.5 | Low | 140 Ų | 140 | 150.6 Ų | 150.6 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -97 | 96.5 | 155.8 | -55.7 | -62 | 0 | 0 | 0 | 104.8 | T204 | T204-I206 PolarHBondContact O-N 3.25Š| ||
| 207 | Y | 57.2 | Low | 64.3 | Low | 229 Ų | 229 | 153.8 Ų | 153.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -111 | 127.3 | 152.1 | -89.4 | -86.6 | 0 | 0 | 0 | 107.7 | ||||
| 208 | A | 60.6 | Low | 64.1 | Low | 169 Ų | 169 | 152.5 Ų | 152.5 | 100% | 1.397 | 81% | 0.812 | S | S | * | * | trans | -69.5 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 208 of 208 residues in 86.5 ms
(Link to these results)