| 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 | 47.4 | Very low | 53.7 | Low | 237 Ų | 237 | 159.4 Ų | 159.4 | 100% | 1.167 | 81% | 0.811 | S | S | * | * | 0 | 92.3 | 0 | -63.4 | -175.7 | -86.8 | 0 | 0 | 104.3 | |||||
| 2 | E | 55.7 | Low | 54.4 | Low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | cis | -143.8 | 136.5 | 43.9 | -64.9 | 167.7 | 146 | 0 | 0 | 109.4 | ||||
| 3 | N | 47.4 | Very low | 53.7 | Low | 157 Ų | 157 | 158.2 Ų | 158.2 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -85.3 | 115.2 | 176.7 | -64.6 | -34.1 | 0 | 0 | 0 | 108.7 | ||||
| 4 | K | 63.1 | Low | 53.5 | Low | 214 Ų | 214 | 151.8 Ų | 151.8 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -95.1 | 109.4 | 161.2 | -88.6 | -167.6 | 174.8 | -162 | 0 | 109.5 | ||||
| 5 | L | 56.6 | Low | 53.6 | Low | 155 Ų | 155 | 149.4 Ų | 149.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -52.5 | 125.8 | -176 | -78.4 | 143.4 | 0 | 0 | 0 | 113.3 | V7 | L5-V7 PolarHBondContact O-N 3.25Š| ||
| 6 | F | 50.9 | Low | 53 | Low | 182 Ų | 182 | 152.6 Ų | 152.6 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -66 | 105 | 153.9 | -179 | -104.7 | 0 | 0 | 0 | 107.9 | S8 | F6-S8 PolarHBondContact O-N 3.42Š| ||
| 7 | V | 59.3 | Low | 53 | Low | 116 Ų | 116 | 154.1 Ų | 154.1 | 70% | 0.703 | 82% | 0.815 | S | S | * | * | trans | -88.7 | 97.9 | 168.6 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | L5 E9 | L5-V7 PolarHBondContact O-N 3.25Å; V7-E9 HydrophobicContact CG1-CB 4.29Å; V7-E9 HydrophobicContact CG1-CG 4.4Å | ||
| 8 | S | 45.5 | Very low | 52.8 | Low | 81 Ų | 81 | 152.1 Ų | 152.1 | 57% | 0.566 | 82% | 0.815 | S | S | * | * | trans | -91.6 | 100.3 | 162.1 | -162.9 | 0 | 0 | 0 | 0 | 106.5 | F6 | F6-S8 PolarHBondContact O-N 3.42Š| ||
| 9 | E | 49.9 | Very low | 53.2 | Low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -136.8 | 105.8 | 169.3 | -83.5 | -164.1 | 141.3 | 0 | 0 | 111.5 | V7 | V7-E9 HydrophobicContact CG1-CB 4.29Å; V7-E9 HydrophobicContact CG1-CG 4.4Å | ||
| 10 | M | 56.9 | Low | 53.4 | Low | 139 Ų | 139 | 153.3 Ų | 153.3 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 62 | 125.3 | 134.4 | -47.3 | -61.1 | 92.2 | 0 | 0 | 119.5 | V12 | M10-V12 PolarHBondContact O-N 3.25Š| ||
| 11 | P | 58.4 | Low | 53.3 | Low | 120 Ų | 120 | 151.9 Ų | 151.9 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -71.3 | 128.5 | 169.1 | 31.1 | -30.4 | 0 | 0 | 0 | 109.1 | D13 | P11-D13 PolarHBondContact O-N 3.22Š| ||
| 12 | V | 61.3 | Low | 53.5 | Low | 139 Ų | 139 | 146 Ų | 146 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -79.8 | 101 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | M10 G14 | M10-V12 PolarHBondContact O-N 3.25Å; V12-G14 PolarHBondContact O-N 2.94Å | ||
| 13 | D | 45.5 | Very low | 53.4 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 117.8 | 162 | -86 | -36.7 | 0 | 0 | 0 | 108.7 | P11 | P11-D13 PolarHBondContact O-N 3.22Š| ||
| 14 | G | 51.3 | Low | 53.4 | Low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 95.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V12 | V12-G14 PolarHBondContact O-N 2.94Š| ||
| 15 | C | 54.8 | Low | 53.2 | Low | 116 Ų | 116 | 135.6 Ų | 135.6 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 80.3 | 83.8 | 155 | -146.5 | 0 | 0 | 0 | 0 | 117.3 | K17 | C15-K17 PolarHBondContact O-N 3.46Å; C15-K17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | E | 44 | Very low | 53 | Low | 200 Ų | 200 | 130.9 Ų | 130.9 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | trans | -64.2 | 101.8 | 157.2 | -64.2 | -147.4 | 126.3 | 0 | 0 | 110.2 | S18 | E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | K | 53.7 | Low | 53.3 | Low | 179 Ų | 179 | 126.8 Ų | 126.8 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | -74.1 | 97.5 | 164 | -87.4 | 178.1 | 176.3 | 176 | 0 | 109 | C15 S19 | C15-K17 PolarHBondContact O-N 3.46Å; C15-K17 VanDerWaalsContact O-N 3.1Å; K17-S19 PolarHBondContact O-N 3.42Å | ||
| 18 | S | 49.4 | Very low | 53.2 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -52.6 | 96.7 | 161.6 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | E16 | E16-S18 PolarHBondContact O-N 3.35Å; E16-S18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | S | 58.7 | Low | 54 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -113.7 | 107.1 | 170 | -55.9 | 0 | 0 | 0 | 0 | 107.3 | K17 | K17-S19 PolarHBondContact O-N 3.42Š| ||
| 20 | R | 58.8 | Low | 54.8 | Low | 226 Ų | 226 | 125.3 Ų | 125.3 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -55 | 134.1 | 178 | -60.8 | 173.4 | 177.7 | -165.7 | -2.7 | 110.2 | S22 | R20-S22 PolarHBondContact O-N 2.93Š| ||
| 21 | P | 49.8 | Very low | 55.8 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | -81.7 | 110.7 | 170.3 | 32.3 | -27.3 | 0 | 0 | 0 | 107.9 | ||||
| 22 | S | 52.3 | Low | 57 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -133.7 | 114 | 165.1 | -87.3 | 0 | 0 | 0 | 0 | 108.4 | R20 | R20-S22 PolarHBondContact O-N 2.93Š| ||
| 23 | A | 53.1 | Low | 58.2 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | trans | 60.7 | 73.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 24 | D | 47.8 | Very low | 60.3 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 68% | 0.681 | S | S | * | * | trans | -94.8 | 94.7 | -174.8 | -162.7 | 5.1 | 0 | 0 | 0 | 112.2 | V27 | D24-V27 WeakPolarHBondContact OD1-CB 3.29Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.31Å | ||
| 25 | T | 58.4 | Low | 62.4 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -142.8 | -12.5 | 160.3 | -44.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 26 | G | 53 | Low | 64.3 | Low | 57 Ų | 57 | 113.6 Ų | 113.6 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -97.2 | -11.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 27 | V | 56.3 | Low | 66.7 | Low | 95 Ų | 95 | 108.9 Ų | 108.9 | 58% | 0.576 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84 | -29.8 | -168 | -153 | 0 | 0 | 0 | 0 | 112.1 | D24 A29 H30 G31 | D24-V27 WeakPolarHBondContact OD1-CB 3.29Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.31Å; V27-A29 PolarHBondContact O-N 3.28Å; V27-H30 PolarHBondContact O-N 2.94Å; V27-G31 PolarHBondContact O-N 3.31Å |
| 28 | I | 59.1 | Low | 68.8 | Low | 130 Ų | 130 | 107.3 Ų | 107.3 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.2 | -37 | -179.5 | -58 | -167 | 0 | 0 | 0 | 112.1 | H30 G31 H32 | I28-H30 PolarHBondContact O-N 2.68Å; I28-G31 PolarHBondContact O-N 3.23Å; I28-H32 PolarHBondContact O-N 3.34Å; I28-H32 VanDerWaalsContact O-N 3.14Å |
| 29 | A | 62.1 | Low | 71 | Confident | 70 Ų | 70 | 104.5 Ų | 104.5 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.5 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V27 H33 | V27-A29 PolarHBondContact O-N 3.28Å; A29-H33 PolarHBondContact O-N 3.2Å |
| 30 | H | 65.7 | Low | 72.9 | Confident | 130 Ų | 130 | 107 Ų | 107 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -40.8 | 175.8 | -115 | 55.7 | 0 | 0 | 0 | 111.7 | V27 I28 H32 H33 D34 | V27-H30 PolarHBondContact O-N 2.94Å; I28-H30 PolarHBondContact O-N 2.68Å; H30-H32 PolarHBondContact O-N 3.01Å; H30-H33 PolarHBondContact O-N 3.39Å; H30-D34 PolarHBondContact O-N 2.85Å |
| 31 | G | 78.1 | Confident | 74.7 | Confident | 43 Ų | 43 | 104.8 Ų | 104.8 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.2 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V27 I28 D34 Q35 | V27-G31 PolarHBondContact O-N 3.31Å; I28-G31 PolarHBondContact O-N 3.23Å; G31-D34 PolarHBondContact O-N 2.92Å; G31-Q35 WeakPolarHBondContact O-CB 3.45Å; G31-Q35 PolarHBondContact O-N 2.95Å |
| 32 | H | 82.7 | Confident | 77 | Confident | 135 Ų | 135 | 104 Ų | 104 | 63% | 0.625 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -45.1 | 177.5 | -173.2 | -88.3 | 0 | 0 | 0 | 112.1 | I28 H30 D34 Q35 E36 | I28-H32 PolarHBondContact O-N 3.34Å; I28-H32 VanDerWaalsContact O-N 3.14Å; H30-H32 PolarHBondContact O-N 3.01Å; H32-D34 VanDerWaalsContact C-N 3.33Å; H32-D34 PolarHBondContact O-N 3.36Å; H32-Q35 PolarHBondContact O-N 3.41Å; H32-E36 WeakPolarHBondContact O-CB 3.17Å; H32-E36 PolarHBondContact O-N 3.22Å |
| 33 | H | 86.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 103.8 Ų | 103.8 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 178 | -177.5 | -120 | 0 | 0 | 0 | 112 | A29 H30 E36 K37 | A29-H33 PolarHBondContact O-N 3.2Å; H30-H33 PolarHBondContact O-N 3.39Å; H33-E36 PolarHBondContact O-N 3.33Å; H33-K37 WeakPolarHBondContact CE1-CE 3.32Å; H33-K37 PolarHBondContact CE1-NZ 3.06Å; H33-K37 WeakPolarHBondContact ND1-CE 3.29Å; H33-K37 PolarHBondContact ND1-NZ 2.96Å; H33-K37 VanDerWaalsContact O-CG 3.32Å; H33-K37 WeakPolarHBondContact O-CG 3.34Å; H33-K37 PolarHBondContact O-N 2.9Å |
| 34 | D | 91.4 | Very high | 81.4 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | 175.9 | -69.7 | -25.9 | 0 | 0 | 0 | 112.7 | H30 G31 H32 K37 R38 | H30-D34 PolarHBondContact O-N 2.85Å; G31-D34 PolarHBondContact O-N 2.92Å; H32-D34 VanDerWaalsContact C-N 3.33Å; H32-D34 PolarHBondContact O-N 3.36Å; D34-K37 IonicContact OD1-NZ 3.37Å; D34-K37 PolarHBondContact OD1-NZ 3.14Å; D34-R38 WeakPolarHBondContact O-CB 3.32Å; D34-R38 PolarHBondContact O-N 3.04Å |
| 35 | Q | 94.3 | Very high | 83.8 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 170.7 | -177.4 | 58.2 | 31.3 | 0 | 0 | 111.3 | G31 H32 R38 V39 | G31-Q35 WeakPolarHBondContact O-CB 3.45Å; G31-Q35 PolarHBondContact O-N 2.95Å; H32-Q35 PolarHBondContact O-N 3.41Å; Q35-R38 WeakPolarHBondContact O-CB 3.49Å; Q35-R38 PolarHBondContact O-N 2.79Å; Q35-V39 WeakPolarHBondContact O-CG2 3.42Å; Q35-V39 PolarHBondContact O-N 2.97Å |
| 36 | E | 95.3 | Very high | 85.7 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.1 | -173 | 179.6 | -175.5 | 0 | 0 | 111.7 | H32 H33 R38 V39 R40 | H32-E36 WeakPolarHBondContact O-CB 3.17Å; H32-E36 PolarHBondContact O-N 3.22Å; H33-E36 PolarHBondContact O-N 3.33Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.77Å; E36-V39 PolarHBondContact O-N 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.44Å; E36-R40 IonicContact OE1-CZ 3.79Å; E36-R40 IonicContact OE1-NE 3.96Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH2 3.32Å; E36-R40 PolarHBondContact OE1-NH2 2.74Å; E36-R40 IonicContact OE2-NH2 2.87Å |
| 37 | K | 94.9 | Very high | 87.9 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 172.1 | -73.4 | 173.3 | -166.8 | 155.5 | 0 | 111.7 | H33 D34 R40 R41 | H33-K37 WeakPolarHBondContact CE1-CE 3.32Å; H33-K37 PolarHBondContact CE1-NZ 3.06Å; H33-K37 WeakPolarHBondContact ND1-CE 3.29Å; H33-K37 PolarHBondContact ND1-NZ 2.96Å; H33-K37 VanDerWaalsContact O-CG 3.32Å; H33-K37 WeakPolarHBondContact O-CG 3.34Å; H33-K37 PolarHBondContact O-N 2.9Å; D34-K37 IonicContact OD1-NZ 3.37Å; D34-K37 PolarHBondContact OD1-NZ 3.14Å; K37-R40 PolarHBondContact O-N 2.87Å; K37-R41 WeakPolarHBondContact O-CB 3.19Å; K37-R41 PolarHBondContact O-N 3.14Å |
| 38 | R | 96.2 | Very high | 89.9 | Confident | 145 Ų | 145 | 99.1 Ų | 99.1 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.4 | -178.6 | -176.5 | -66.3 | 157.8 | -6.7 | 110.9 | D34 Q35 E36 R40 R41 E42 | D34-R38 WeakPolarHBondContact O-CB 3.32Å; D34-R38 PolarHBondContact O-N 3.04Å; Q35-R38 WeakPolarHBondContact O-CB 3.49Å; Q35-R38 PolarHBondContact O-N 2.79Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.77Å; R38-R40 PolarHBondContact O-N 3.01Å; R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 2.92Å; R38-R41 VanDerWaalsContact O-N 3.16Å; R38-E42 WeakPolarHBondContact CG-OE1 3.36Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.1Å |
| 39 | V | 97.1 | Very high | 91.8 | Very high | 59 Ų | 59 | 102 Ų | 102 | 36% | 0.358 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | Q35 E36 R41 E42 I43 | Q35-V39 WeakPolarHBondContact O-CG2 3.42Å; Q35-V39 PolarHBondContact O-N 2.97Å; E36-V39 PolarHBondContact O-N 3.44Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 2.95Å; V39-E42 PolarHBondContact O-N 3.44Å; V39-I43 HydrophobicContact CG1-CD1 3.83Å; V39-I43 HydrophobicContact CG1-CG1 4.43Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.22Å |
| 40 | R | 97.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 106.9 Ų | 106.9 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 176.3 | -70.5 | 178 | -173.6 | -176.5 | 1.9 | 111.8 | E36 K37 R38 A44 | E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.44Å; E36-R40 IonicContact OE1-CZ 3.79Å; E36-R40 IonicContact OE1-NE 3.96Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH2 3.32Å; E36-R40 PolarHBondContact OE1-NH2 2.74Å; E36-R40 IonicContact OE2-NH2 2.87Å; K37-R40 PolarHBondContact O-N 2.87Å; R38-R40 PolarHBondContact O-N 3.01Å; R40-A44 WeakPolarHBondContact O-CB 3.47Å; R40-A44 PolarHBondContact O-N 3.34Å |
| 41 | R | 97.7 | Very high | 95.1 | Very high | 179 Ų | 179 | 107 Ų | 107 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 175.2 | -175.9 | -178.6 | 177.7 | -166.6 | -2 | 112 | K37 R38 V39 A44 N45 | K37-R41 WeakPolarHBondContact O-CB 3.19Å; K37-R41 PolarHBondContact O-N 3.14Å; R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 2.92Å; R38-R41 VanDerWaalsContact O-N 3.16Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 2.95Å; R41-A44 PolarHBondContact O-N 3.42Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 3.4Å; R41-N45 PolarHBondContact O-ND2 2.85Å |
| 42 | E | 98.4 | Very high | 96.1 | Very high | 106 Ų | 106 | 108.2 Ų | 108.2 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.3 | -74.5 | 171 | -170 | 0 | 0 | 112 | R38 V39 N45 S46 | R38-E42 WeakPolarHBondContact CG-OE1 3.36Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 3.1Å; V39-E42 PolarHBondContact O-N 3.44Å; E42-N45 PolarHBondContact O-N 3.01Å; E42-S46 WeakPolarHBondContact O-CB 3.33Å; E42-S46 PolarHBondContact O-N 3.2Å |
| 43 | I | 97.8 | Very high | 96.9 | Very high | 110 Ų | 110 | 108 Ų | 108 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 174.4 | -66.8 | 166.7 | 0 | 0 | 0 | 110.5 | V39 N45 S46 N47 | V39-I43 HydrophobicContact CG1-CD1 3.83Å; V39-I43 HydrophobicContact CG1-CG1 4.43Å; V39-I43 WeakPolarHBondContact O-CG1 3.34Å; V39-I43 PolarHBondContact O-N 3.22Å; I43-N45 PolarHBondContact O-N 3.46Å; I43-S46 PolarHBondContact O-N 2.94Å; I43-N47 PolarHBondContact O-N 3Å |
| 44 | A | 98.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 107.8 Ų | 107.8 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R40 R41 S46 N47 E48 | R40-A44 WeakPolarHBondContact O-CB 3.47Å; R40-A44 PolarHBondContact O-N 3.34Å; R41-A44 PolarHBondContact O-N 3.42Å; A44-S46 PolarHBondContact O-N 3.21Å; A44-N47 WeakPolarHBondContact O-CB 3.28Å; A44-N47 PolarHBondContact O-N 3.13Å; A44-E48 PolarHBondContact O-N 3.38Å |
| 45 | N | 98.8 | Very high | 97.8 | Very high | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.4 | -71 | -17 | 0 | 0 | 0 | 112.3 | R41 E42 I43 N47 E48 R49 | R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 3.4Å; R41-N45 PolarHBondContact O-ND2 2.85Å; E42-N45 PolarHBondContact O-N 3.01Å; I43-N45 PolarHBondContact O-N 3.46Å; N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 3.45Å |
| 46 | S | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 106 Ų | 106 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | E42 I43 A44 R49 R50 | E42-S46 WeakPolarHBondContact O-CB 3.33Å; E42-S46 PolarHBondContact O-N 3.2Å; I43-S46 PolarHBondContact O-N 2.94Å; A44-S46 PolarHBondContact O-N 3.21Å; S46-R49 PolarHBondContact O-N 2.94Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.07Å |
| 47 | N | 98.8 | Very high | 98 | Very high | 104 Ų | 104 | 105 Ų | 105 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | 174.8 | -168 | -22 | 0 | 0 | 0 | 111.7 | I43 A44 N45 R49 R50 R51 | I43-N47 PolarHBondContact O-N 3Å; A44-N47 WeakPolarHBondContact O-CB 3.28Å; A44-N47 PolarHBondContact O-N 3.13Å; N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 2.95Å; N47-R50 WeakPolarHBondContact O-CB 3.35Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; N47-R51 PolarHBondContact O-N 3.41Å |
| 48 | E | 98.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 178.6 | -173.6 | 56.5 | -153.1 | 0 | 0 | 112.3 | A44 N45 R50 R51 M52 | A44-E48 PolarHBondContact O-N 3.38Å; N45-E48 PolarHBondContact O-N 3.44Å; E48-R50 PolarHBondContact O-N 2.91Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 IonicContact OE1-NH1 2.64Å; E48-R51 PolarHBondContact OE1-NH1 3.22Å; E48-R51 WeakPolarHBondContact OE2-CD 3.43Å; E48-R51 IonicContact OE2-NH1 2.95Å; E48-M52 WeakPolarHBondContact O-CB 3.35Å; E48-M52 PolarHBondContact O-N 2.74Å; E48-M52 WeakPolarHBondContact OE1-CE 3.42Å |
| 49 | R | 98.8 | Very high | 98.2 | Very high | 189 Ų | 189 | 96.6 Ų | 96.6 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.1 | -46.3 | 172.6 | -75.3 | 179.9 | -180 | -175 | 0.7 | 111.4 | N45 S46 N47 M52 Q53 | N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 3.45Å; S46-R49 PolarHBondContact O-N 2.94Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 2.95Å; R49-M52 PolarHBondContact O-N 2.8Å; R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.9Å |
| 50 | R | 98.7 | Very high | 98.1 | Very high | 173 Ų | 173 | 98.6 Ų | 98.6 | 65% | 0.653 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 176.7 | -174 | -173.8 | -60.9 | -98.7 | -1.4 | 111.8 | S46 N47 E48 M52 Q53 S54 | S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.07Å; N47-R50 WeakPolarHBondContact O-CB 3.35Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; E48-R50 PolarHBondContact O-N 2.91Å; R50-M52 VanDerWaalsContact C-N 3.34Å; R50-M52 PolarHBondContact O-N 2.99Å; R50-Q53 PolarHBondContact O-N 2.81Å; R50-S54 PolarHBondContact O-N 3.39Å |
| 51 | R | 98.7 | Very high | 98 | Very high | 132 Ų | 132 | 94.5 Ų | 94.5 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 174.6 | 179.4 | 178.3 | 173.2 | -89.2 | -4.5 | 110.8 | N47 E48 Q53 S54 I55 | N47-R51 PolarHBondContact O-N 3.41Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 IonicContact OE1-NH1 2.64Å; E48-R51 PolarHBondContact OE1-NH1 3.22Å; E48-R51 WeakPolarHBondContact OE2-CD 3.43Å; E48-R51 IonicContact OE2-NH1 2.95Å; R51-Q53 PolarHBondContact O-N 2.86Å; R51-S54 WeakPolarHBondContact O-CB 3.3Å; R51-S54 PolarHBondContact O-N 3.21Å; R51-I55 HydrophobicContact CG-CD1 4.15Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 2.87Å |
| 52 | M | 98.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 89 Ų | 89 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.1 | -34.8 | -179.2 | -154.7 | 58.5 | 55.6 | 0 | 0 | 112.6 | E48 R49 R50 I55 N56 | E48-M52 WeakPolarHBondContact O-CB 3.35Å; E48-M52 PolarHBondContact O-N 2.74Å; E48-M52 WeakPolarHBondContact OE1-CE 3.42Å; R49-M52 PolarHBondContact O-N 2.8Å; R50-M52 VanDerWaalsContact C-N 3.34Å; R50-M52 PolarHBondContact O-N 2.99Å; M52-I55 HydrophobicContact CE-CD1 4.47Å; M52-I55 PolarHBondContact O-N 3.03Å; M52-I55 HydrophobicContact SD-CD1 4.23Å; M52-N56 WeakPolarHBondContact O-CB 3.33Å; M52-N56 PolarHBondContact O-N 2.78Å; M52-N56 PolarHBondContact O-ND2 3.09Å; M52-N56 PolarHBondContact O-OD1 3.49Å |
| 53 | Q | 98.6 | Very high | 97.7 | Very high | 131 Ų | 131 | 86.4 Ų | 86.4 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 171.7 | -76.6 | 172.5 | -18.2 | 0 | 0 | 112 | R49 R50 R51 I55 N56 A57 | R49-Q53 VanDerWaalsContact O-CG 3.31Å; R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.9Å; R50-Q53 PolarHBondContact O-N 2.81Å; R51-Q53 PolarHBondContact O-N 2.86Å; Q53-I55 PolarHBondContact O-N 3.5Å; Q53-N56 PolarHBondContact O-N 3.25Å; Q53-A57 PolarHBondContact O-N 2.91Å |
| 54 | S | 98.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 87.7 Ų | 87.7 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | R50 R51 N56 A57 G58 | R50-S54 PolarHBondContact O-N 3.39Å; R51-S54 WeakPolarHBondContact O-CB 3.3Å; R51-S54 PolarHBondContact O-N 3.21Å; S54-N56 PolarHBondContact O-N 3.48Å; S54-A57 PolarHBondContact O-N 3.23Å; S54-G58 PolarHBondContact O-N 3.01Å |
| 55 | I | 98.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 90.7 Ų | 90.7 | 29% | 0.287 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.9 | -67.3 | 168.7 | 0 | 0 | 0 | 110.7 | R51 M52 Q53 G58 F59 | R51-I55 HydrophobicContact CG-CD1 4.15Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 2.87Å; M52-I55 HydrophobicContact CE-CD1 4.47Å; M52-I55 PolarHBondContact O-N 3.03Å; M52-I55 HydrophobicContact SD-CD1 4.23Å; Q53-I55 PolarHBondContact O-N 3.5Å; I55-G58 WeakPolarHBondContact O-CA 3.47Å; I55-G58 PolarHBondContact O-N 3.29Å; I55-G58 VanDerWaalsContact O-N 3.16Å; I55-F59 HydrophobicContact CG2-CD2 3.93Å; I55-F59 HydrophobicContact CG2-CE2 3.73Å; I55-F59 WeakPolarHBondContact O-CD2 3.49Å; I55-F59 PolarHBondContact O-N 2.82Å |
| 56 | N | 97.9 | Very high | 97 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 34% | 0.342 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 179.6 | -70.1 | -15.8 | 0 | 0 | 0 | 112 | M52 Q53 S54 G58 F59 D60 K77 | M52-N56 WeakPolarHBondContact O-CB 3.33Å; M52-N56 PolarHBondContact O-N 2.78Å; M52-N56 PolarHBondContact O-ND2 3.09Å; M52-N56 PolarHBondContact O-OD1 3.49Å; Q53-N56 PolarHBondContact O-N 3.25Å; S54-N56 PolarHBondContact O-N 3.48Å; N56-G58 VanDerWaalsContact C-N 3.25Å; N56-G58 PolarHBondContact O-N 3.34Å; N56-F59 WeakPolarHBondContact O-CA 3.31Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; N56-D60 PolarHBondContact O-N 3.46Å; N56-K77 WeakPolarHBondContact OD1-CE 3.2Å; N56-K77 PolarHBondContact OD1-NZ 3.06Å |
| 57 | A | 97.7 | Very high | 96.6 | Very high | 51 Ų | 51 | 87.6 Ų | 87.6 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q53 S54 D60 S61 | Q53-A57 PolarHBondContact O-N 2.91Å; S54-A57 PolarHBondContact O-N 3.23Å; A57-D60 PolarHBondContact O-N 2.94Å; A57-S61 PolarHBondContact O-N 3.03Å; A57-S61 PolarHBondContact O-OG 2.96Å; A57-S61 VanDerWaalsContact O-OG 3.11Å |
| 58 | G | 97.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 88.4 Ų | 88.4 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -40 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S54 I55 N56 S61 L62 | S54-G58 PolarHBondContact O-N 3.01Å; I55-G58 WeakPolarHBondContact O-CA 3.47Å; I55-G58 PolarHBondContact O-N 3.29Å; I55-G58 VanDerWaalsContact O-N 3.16Å; N56-G58 VanDerWaalsContact C-N 3.25Å; N56-G58 PolarHBondContact O-N 3.34Å; G58-S61 PolarHBondContact O-N 3.08Å; G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.31Å |
| 59 | F | 97.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 86.1 Ų | 86.1 | 16% | 0.158 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 173 | -85 | -81.4 | 0 | 0 | 0 | 112.3 | I55 N56 L62 R63 K77 I80 L81 | I55-F59 HydrophobicContact CG2-CD2 3.93Å; I55-F59 HydrophobicContact CG2-CE2 3.73Å; I55-F59 WeakPolarHBondContact O-CD2 3.49Å; I55-F59 PolarHBondContact O-N 2.82Å; N56-F59 WeakPolarHBondContact O-CA 3.31Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; F59-L62 PolarHBondContact O-N 3.39Å; F59-R63 VanDerWaalsContact O-CB 3.31Å; F59-R63 WeakPolarHBondContact O-CB 3.29Å; F59-R63 PolarHBondContact O-N 3.37Å; F59-K77 HydrophobicContact CD1-CB 4.2Å; F59-K77 HydrophobicContact CD1-CG 4.01Å; F59-K77 HydrophobicContact CD2-CD 4.18Å; F59-K77 HydrophobicContact CD2-CG 4.36Å; F59-K77 HydrophobicContact CE1-CB 3.64Å; F59-K77 HydrophobicContact CE1-CD 4.29Å; F59-K77 HydrophobicContact CE1-CG 3.83Å; F59-K77 HydrophobicContact CE2-CD 3.82Å; F59-K77 HydrophobicContact CE2-CG 4.21Å; F59-K77 HydrophobicContact CG-CG 4.28Å; F59-K77 HydrophobicContact CZ-CB 3.91Å; F59-K77 HydrophobicContact CZ-CD 3.88Å; F59-K77 HydrophobicContact CZ-CG 3.95Å; F59-I80 HydrophobicContact CB-CD1 4.37Å; F59-I80 HydrophobicContact CD1-CB 4.27Å; F59-I80 HydrophobicContact CD1-CD1 3.99Å; F59-I80 HydrophobicContact CD1-CG2 4.13Å; F59-L81 HydrophobicContact CE1-CD1 4.45Å; F59-L81 HydrophobicContact CE1-CD2 4.21Å; F59-L81 HydrophobicContact CE1-CG 4.09Å |
| 60 | D | 94.4 | Very high | 91.9 | Very high | 101 Ų | 101 | 80.6 Ų | 80.6 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.7 | -67.3 | -31.6 | 0 | 0 | 0 | 111.3 | N56 A57 R63 I64 | N56-D60 PolarHBondContact O-N 3.46Å; A57-D60 PolarHBondContact O-N 2.94Å; D60-R63 WeakPolarHBondContact O-CB 3.46Å; D60-R63 PolarHBondContact O-N 2.9Å; D60-I64 PolarHBondContact O-N 3.41Å |
| 61 | S | 95.1 | Very high | 90.4 | Very high | 69 Ų | 69 | 80.9 Ų | 80.9 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | A57 G58 I64 L65 | A57-S61 PolarHBondContact O-N 3.03Å; A57-S61 PolarHBondContact O-OG 2.96Å; A57-S61 VanDerWaalsContact O-OG 3.11Å; G58-S61 PolarHBondContact O-N 3.08Å; S61-I64 WeakPolarHBondContact O-CG1 3.37Å; S61-L65 WeakPolarHBondContact O-CG 3.33Å |
| 62 | L | 95.7 | Very high | 89.1 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 34% | 0.34 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 173.5 | -78.2 | 168 | 0 | 0 | 0 | 111.6 | G58 F59 I64 L65 I80 T84 | G58-L62 WeakPolarHBondContact O-CG 3.26Å; G58-L62 PolarHBondContact O-N 3.31Å; F59-L62 PolarHBondContact O-N 3.39Å; L62-I64 PolarHBondContact O-N 3.31Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-I80 HydrophobicContact CB-CG2 3.95Å; L62-T84 HydrophobicContact CD2-CG2 4.39Å |
| 63 | R | 94.1 | Very high | 88.2 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 19% | 0.189 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | -179 | 157.8 | 174.1 | -176.8 | 99.5 | 14.1 | 112.5 | F59 D60 L65 L66 E73 M75 I80 | F59-R63 VanDerWaalsContact O-CB 3.31Å; F59-R63 WeakPolarHBondContact O-CB 3.29Å; F59-R63 PolarHBondContact O-N 3.37Å; D60-R63 WeakPolarHBondContact O-CB 3.46Å; D60-R63 PolarHBondContact O-N 2.9Å; R63-L65 PolarHBondContact O-N 2.8Å; R63-L66 PolarHBondContact O-N 3.11Å; R63-E73 PolarHBondContact NH1-O 2.99Å; R63-E73 PolarHBondContact NH2-O 3.28Å; R63-M75 HydrophobicContact CB-CE 3.88Å; R63-M75 HydrophobicContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact NH1-CE 3.27Å; R63-M75 VanDerWaalsContact NH1-CG 3.29Å; R63-M75 VanDerWaalsContact NH1-N 3.1Å; R63-I80 HydrophobicContact CB-CD1 4.16Å; R63-I80 HydrophobicContact CB-CG1 4.49Å |
| 64 | I | 92.5 | Very high | 87.8 | Confident | 137 Ų | 137 | 83 Ų | 83 | 70% | 0.703 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68 | -19.4 | -179.1 | 59.7 | 166.6 | 0 | 0 | 0 | 113.5 | D60 S61 L62 | D60-I64 PolarHBondContact O-N 3.41Å; S61-I64 WeakPolarHBondContact O-CG1 3.37Å; L62-I64 PolarHBondContact O-N 3.31Å |
| 65 | L | 94.1 | Very high | 87.4 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.9 | 178.8 | -63.1 | 174.4 | 0 | 0 | 0 | 113 | S61 L62 R63 | S61-L65 WeakPolarHBondContact O-CG 3.33Å; L62-L65 PolarHBondContact O-N 3.09Å; R63-L65 PolarHBondContact O-N 2.8Å |
| 66 | L | 93.9 | Very high | 87.2 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 9% | 0.089 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -79.9 | 135 | -178.5 | -66.8 | 176.9 | 0 | 0 | 0 | 110.8 | R63 S68 I69 M75 I80 L83 | R63-L66 PolarHBondContact O-N 3.11Å; L66-S68 PolarHBondContact O-N 2.73Å; L66-I69 HydrophobicContact CB-CD1 4.01Å; L66-I69 HydrophobicContact CD1-CD1 4.27Å; L66-M75 HydrophobicContact CD1-CE 4.03Å; L66-M75 HydrophobicContact CD1-SD 4.29Å; L66-I80 HydrophobicContact CD1-CG2 4.41Å; L66-L83 HydrophobicContact CD1-CB 3.73Å; L66-L83 HydrophobicContact CD1-CD1 4.28Å; L66-L83 HydrophobicContact CD2-CB 4.11Å |
| 67 | P | 89 | Confident | 87.2 | Confident | 67 Ų | 67 | 82.1 Ų | 82.1 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -60.8 | 123.9 | 178.1 | -22.2 | 31.6 | 0 | 0 | 0 | 112.7 | I69 Y87 | P67-I69 PolarHBondContact O-N 2.9Å; P67-Y87 HydrophobicContact CG-CD1 4.41Å; P67-Y87 HydrophobicContact CG-CD2 3.47Å; P67-Y87 VanDerWaalsContact CG-CD2 3.47Å; P67-Y87 HydrophobicContact CG-CE1 4.2Å; P67-Y87 HydrophobicContact CG-CE2 3.24Å; P67-Y87 HydrophobicContact CG-CG 4.07Å |
| 68 | S | 67.6 | Low | 87.2 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 85% | 0.846 | 47% | 0.474 | S | S | * | . | trans | 43.6 | 65.7 | 160.6 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | L66 | L66-S68 PolarHBondContact O-N 2.73Š| ||
| 69 | I | 68.1 | Low | 87 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 19% | 0.19 | 47% | 0.473 | C | S | . | . | trans | -106.3 | 122.2 | 158.1 | -63.7 | 148.7 | 0 | 0 | 0 | 104.2 | L66 P67 D71 E73 M75 L83 | L66-I69 HydrophobicContact CB-CD1 4.01Å; L66-I69 HydrophobicContact CD1-CD1 4.27Å; P67-I69 PolarHBondContact O-N 2.9Å; I69-D71 PolarHBondContact O-N 3.29Å; I69-E73 HydrophobicContact CG2-CB 4.1Å; I69-E73 HydrophobicContact CG2-CG 4.45Å; I69-M75 HydrophobicContact CD1-CE 3.61Å; I69-M75 HydrophobicContact CD1-SD 3.37Å; I69-M75 WeakPolarHBondContact CD1-SD 3.04Å; I69-M75 HydrophobicContact CG1-SD 4.41Å; I69-M75 HydrophobicContact CG2-CE 4.46Å; I69-M75 HydrophobicContact CG2-CG 4.3Å; I69-M75 HydrophobicContact CG2-SD 4.39Å; I69-L83 HydrophobicContact CD1-CD1 3.5Å; I69-L83 HydrophobicContact CG1-CD1 4.5Å | ||
| 70 | S | 62.9 | Low | 87 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | trans | -40.8 | 131.6 | -172.5 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | G72 E73 | S70-G72 PolarHBondContact O-N 3.44Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CB 3.29Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-OE2 3.33Å | ||
| 71 | D | 66.8 | Low | 87.2 | Confident | 178 Ų | 178 | 81.5 Ų | 81.5 | 95% | 0.952 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 105.7 | 178.1 | -73.9 | -37.6 | 0 | 0 | 0 | 108.7 | I69 | I69-D71 PolarHBondContact O-N 3.29Š|
| 72 | G | 72 | Confident | 87.2 | Confident | 68 Ų | 68 | 84 Ų | 84 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.2 | -13.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | S70 K74 | S70-G72 PolarHBondContact O-N 3.44Å; G72-K74 PolarHBondContact O-N 2.97Å |
| 73 | E | 80.7 | Confident | 87.2 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | trans | -74.8 | 113.2 | -178.7 | 178.6 | 179.9 | -178.6 | 0 | 0 | 112.2 | R63 I69 S70 M75 | R63-E73 PolarHBondContact NH1-O 2.99Å; R63-E73 PolarHBondContact NH2-O 3.28Å; I69-E73 HydrophobicContact CG2-CB 4.1Å; I69-E73 HydrophobicContact CG2-CG 4.45Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CB 3.29Å; S70-E73 WeakPolarHBondContact OG-CB 3.45Å; S70-E73 PolarHBondContact OG-OE2 3.33Å; E73-M75 PolarHBondContact O-N 3.39Å | ||
| 74 | K | 88.4 | Confident | 87.4 | Confident | 201 Ų | 201 | 82.3 Ų | 82.3 | 87% | 0.874 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 124.6 | 179.7 | -67.7 | -179.4 | 178 | 175.1 | 0 | 111.9 | G72 | G72-K74 PolarHBondContact O-N 2.97Š|
| 75 | M | 90.8 | Very high | 87.7 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 16% | 0.163 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 144.5 | 171.5 | -76.6 | -170.4 | -79 | 0 | 0 | 111.3 | R63 L66 I69 E73 T79 I80 L83 | R63-M75 HydrophobicContact CB-CE 3.88Å; R63-M75 HydrophobicContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact CG-CE 3.43Å; R63-M75 VanDerWaalsContact NH1-CE 3.27Å; R63-M75 VanDerWaalsContact NH1-CG 3.29Å; R63-M75 VanDerWaalsContact NH1-N 3.1Å; L66-M75 HydrophobicContact CD1-CE 4.03Å; L66-M75 HydrophobicContact CD1-SD 4.29Å; I69-M75 HydrophobicContact CD1-CE 3.61Å; I69-M75 HydrophobicContact CD1-SD 3.37Å; I69-M75 WeakPolarHBondContact CD1-SD 3.04Å; I69-M75 HydrophobicContact CG1-SD 4.41Å; I69-M75 HydrophobicContact CG2-CE 4.46Å; I69-M75 HydrophobicContact CG2-CG 4.3Å; I69-M75 HydrophobicContact CG2-SD 4.39Å; E73-M75 PolarHBondContact O-N 3.39Å; M75-T79 HydrophobicContact CG-CG2 4.27Å; M75-T79 HydrophobicContact SD-CG2 4.17Å; M75-I80 HydrophobicContact CB-CD1 4.23Å; M75-I80 HydrophobicContact CB-CG1 3.8Å; M75-I80 HydrophobicContact CE-CG1 3.94Å; M75-I80 HydrophobicContact SD-CG1 4.01Å; M75-L83 HydrophobicContact SD-CD1 3.78Å |
| 76 | S | 94.9 | Very high | 87.8 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 155.6 | 168.3 | 85.1 | 0 | 0 | 0 | 0 | 110.9 | A78 T79 I80 | S76-A78 PolarHBondContact O-N 3.32Å; S76-A78 PolarHBondContact OG-N 3.17Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.5Å; S76-T79 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact OG-CB 3.16Å; S76-T79 PolarHBondContact OG-N 2.91Å; S76-T79 PolarHBondContact OG-OG1 3.39Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.11Å |
| 77 | K | 96.8 | Very high | 88 | Confident | 94 Ų | 94 | 82 Ų | 82 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.3 | -39.7 | 173.5 | -69.6 | -172.9 | 174.6 | -170 | 0 | 111.9 | N56 F59 I80 L81 | N56-K77 WeakPolarHBondContact OD1-CE 3.2Å; N56-K77 PolarHBondContact OD1-NZ 3.06Å; F59-K77 HydrophobicContact CD1-CB 4.2Å; F59-K77 HydrophobicContact CD1-CG 4.01Å; F59-K77 HydrophobicContact CD2-CD 4.18Å; F59-K77 HydrophobicContact CD2-CG 4.36Å; F59-K77 HydrophobicContact CE1-CB 3.64Å; F59-K77 HydrophobicContact CE1-CD 4.29Å; F59-K77 HydrophobicContact CE1-CG 3.83Å; F59-K77 HydrophobicContact CE2-CD 3.82Å; F59-K77 HydrophobicContact CE2-CG 4.21Å; F59-K77 HydrophobicContact CG-CG 4.28Å; F59-K77 HydrophobicContact CZ-CB 3.91Å; F59-K77 HydrophobicContact CZ-CD 3.88Å; F59-K77 HydrophobicContact CZ-CG 3.95Å; K77-I80 PolarHBondContact O-N 3.34Å; K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 3.09Å |
| 78 | A | 97.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S76 L81 Q82 | S76-A78 PolarHBondContact O-N 3.32Å; S76-A78 PolarHBondContact OG-N 3.17Å; A78-L81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 3.03Å |
| 79 | T | 95.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 31% | 0.313 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | M75 S76 L81 Q82 L83 | M75-T79 HydrophobicContact CG-CG2 4.27Å; M75-T79 HydrophobicContact SD-CG2 4.17Å; S76-T79 WeakPolarHBondContact O-CB 3.43Å; S76-T79 PolarHBondContact O-N 3.5Å; S76-T79 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact OG-CB 3.16Å; S76-T79 PolarHBondContact OG-N 2.91Å; S76-T79 PolarHBondContact OG-OG1 3.39Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 2.89Å; T79-Q82 PolarHBondContact O-N 3.5Å; T79-L83 HydrophobicContact CG2-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CG 4.21Å; T79-L83 WeakPolarHBondContact O-CB 3.44Å; T79-L83 WeakPolarHBondContact O-CG 3.29Å; T79-L83 PolarHBondContact O-N 3.38Å |
| 80 | I | 95.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 84.2 Ų | 84.2 | 3% | 0.031 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.9 | -51.7 | 176.9 | -66.4 | 168.1 | 0 | 0 | 0 | 109.7 | F59 L62 R63 L66 M75 S76 K77 Q82 L83 T84 | F59-I80 HydrophobicContact CB-CD1 4.37Å; F59-I80 HydrophobicContact CD1-CB 4.27Å; F59-I80 HydrophobicContact CD1-CD1 3.99Å; F59-I80 HydrophobicContact CD1-CG2 4.13Å; L62-I80 HydrophobicContact CB-CG2 3.95Å; R63-I80 HydrophobicContact CB-CD1 4.16Å; R63-I80 HydrophobicContact CB-CG1 4.49Å; L66-I80 HydrophobicContact CD1-CG2 4.41Å; M75-I80 HydrophobicContact CB-CD1 4.23Å; M75-I80 HydrophobicContact CB-CG1 3.8Å; M75-I80 HydrophobicContact CE-CG1 3.94Å; M75-I80 HydrophobicContact SD-CG1 4.01Å; S76-I80 WeakPolarHBondContact O-CG1 3.35Å; S76-I80 PolarHBondContact O-N 3.11Å; K77-I80 PolarHBondContact O-N 3.34Å; I80-Q82 PolarHBondContact O-N 3.02Å; I80-L83 PolarHBondContact O-N 3.4Å; I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.45Å; I80-T84 PolarHBondContact O-OG1 3.31Å |
| 81 | L | 98.2 | Very high | 93 | Very high | 97 Ų | 97 | 84.5 Ų | 84.5 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | -179.6 | -65.8 | 172.9 | 0 | 0 | 0 | 112.7 | F59 K77 A78 T79 A85 | F59-L81 HydrophobicContact CE1-CD1 4.45Å; F59-L81 HydrophobicContact CE1-CD2 4.21Å; F59-L81 HydrophobicContact CE1-CG 4.09Å; K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 3.09Å; A78-L81 PolarHBondContact O-N 3.04Å; T79-L81 VanDerWaalsContact C-N 3.35Å; T79-L81 PolarHBondContact O-N 2.89Å; L81-A85 PolarHBondContact O-N 2.88Å |
| 82 | Q | 96.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 80.7 Ų | 80.7 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 178.5 | -73 | 176.3 | 4.6 | 0 | 0 | 112.2 | A78 T79 I80 A85 K86 | A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 3.03Å; T79-Q82 PolarHBondContact O-N 3.5Å; I80-Q82 PolarHBondContact O-N 3.02Å; Q82-A85 PolarHBondContact O-N 3.39Å; Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.32Å |
| 83 | L | 95.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 83.2 Ų | 83.2 | 28% | 0.277 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 179 | -70.6 | 177.3 | 0 | 0 | 0 | 111.6 | L66 I69 M75 T79 I80 A85 K86 Y87 | L66-L83 HydrophobicContact CD1-CB 3.73Å; L66-L83 HydrophobicContact CD1-CD1 4.28Å; L66-L83 HydrophobicContact CD2-CB 4.11Å; I69-L83 HydrophobicContact CD1-CD1 3.5Å; I69-L83 HydrophobicContact CG1-CD1 4.5Å; M75-L83 HydrophobicContact SD-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CD1 3.78Å; T79-L83 HydrophobicContact CG2-CG 4.21Å; T79-L83 WeakPolarHBondContact O-CB 3.44Å; T79-L83 WeakPolarHBondContact O-CG 3.29Å; T79-L83 PolarHBondContact O-N 3.38Å; I80-L83 PolarHBondContact O-N 3.4Å; L83-A85 PolarHBondContact O-N 3.02Å; L83-K86 PolarHBondContact O-N 3.28Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.44Å; L83-Y87 PolarHBondContact O-N 3.46Å |
| 84 | T | 97.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 84.4 Ų | 84.4 | 17% | 0.166 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 173.4 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L62 I80 K86 Y87 I88 | L62-T84 HydrophobicContact CD2-CG2 4.39Å; I80-T84 WeakPolarHBondContact O-CB 3.45Å; I80-T84 PolarHBondContact O-N 3.45Å; I80-T84 PolarHBondContact O-OG1 3.31Å; T84-K86 PolarHBondContact O-N 2.92Å; T84-Y87 PolarHBondContact O-N 3.09Å; T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 HydrophobicContact CG2-CG1 4.5Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.92Å |
| 85 | A | 98.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L81 Q82 L83 Y87 I88 N89 | L81-A85 PolarHBondContact O-N 2.88Å; Q82-A85 PolarHBondContact O-N 3.39Å; L83-A85 PolarHBondContact O-N 3.02Å; A85-Y87 PolarHBondContact O-N 3.19Å; A85-I88 PolarHBondContact O-N 3.47Å; A85-N89 PolarHBondContact O-N 3.27Å; A85-N89 VanDerWaalsContact O-N 3.09Å; A85-N89 PolarHBondContact O-ND2 3.31Å |
| 86 | K | 97 | Very high | 97.4 | Very high | 132 Ų | 132 | 80 Ų | 80 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.6 | -46.4 | 175 | -73.7 | 177.7 | -179.9 | -179.2 | 0 | 111.6 | Q82 L83 T84 N89 T90 | Q82-K86 WeakPolarHBondContact O-CG 3.44Å; Q82-K86 PolarHBondContact O-N 3.32Å; L83-K86 PolarHBondContact O-N 3.28Å; T84-K86 PolarHBondContact O-N 2.92Å; K86-N89 PolarHBondContact O-N 3.25Å; K86-T90 PolarHBondContact O-N 3.12Å; K86-T90 PolarHBondContact O-OG1 2.98Å; K86-T90 VanDerWaalsContact O-OG1 3.13Å |
| 87 | Y | 97.7 | Very high | 97.6 | Very high | 85 Ų | 85 | 81.8 Ų | 81.8 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | -178.4 | -176.8 | -131.3 | 0 | 0 | 0 | 111.9 | P67 L83 T84 A85 N89 T90 L91 | P67-Y87 HydrophobicContact CG-CD1 4.41Å; P67-Y87 HydrophobicContact CG-CD2 3.47Å; P67-Y87 VanDerWaalsContact CG-CD2 3.47Å; P67-Y87 HydrophobicContact CG-CE1 4.2Å; P67-Y87 HydrophobicContact CG-CE2 3.24Å; P67-Y87 HydrophobicContact CG-CG 4.07Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.44Å; L83-Y87 PolarHBondContact O-N 3.46Å; T84-Y87 PolarHBondContact O-N 3.09Å; A85-Y87 PolarHBondContact O-N 3.19Å; Y87-N89 VanDerWaalsContact C-N 3.33Å; Y87-N89 PolarHBondContact O-N 3.49Å; Y87-T90 PolarHBondContact O-N 3.25Å; Y87-L91 HydrophobicContact CD1-CD1 4.11Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CD2-CG 4.2Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CG 4.39Å; Y87-L91 HydrophobicContact CE2-CD1 4.11Å; Y87-L91 HydrophobicContact CE2-CD2 3.86Å; Y87-L91 HydrophobicContact CE2-CG 3.87Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 2.85Å |
| 88 | I | 98.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 80.6 Ų | 80.6 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 173.5 | -69.8 | 167.8 | 0 | 0 | 0 | 110.7 | T84 A85 T90 L91 L92 | T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 HydrophobicContact CG2-CG1 4.5Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.31Å; T84-I88 PolarHBondContact O-N 2.92Å; A85-I88 PolarHBondContact O-N 3.47Å; I88-T90 PolarHBondContact O-N 3.24Å; I88-L91 PolarHBondContact O-N 2.83Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 2.95Å |
| 89 | N | 98.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 84.1 Ų | 84.1 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 178.3 | -71.7 | -27.2 | 0 | 0 | 0 | 112.2 | A85 K86 Y87 L91 L92 M93 | A85-N89 PolarHBondContact O-N 3.27Å; A85-N89 VanDerWaalsContact O-N 3.09Å; A85-N89 PolarHBondContact O-ND2 3.31Å; K86-N89 PolarHBondContact O-N 3.25Å; Y87-N89 VanDerWaalsContact C-N 3.33Å; Y87-N89 PolarHBondContact O-N 3.49Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.35Å; N89-L92 PolarHBondContact O-N 2.98Å; N89-M93 WeakPolarHBondContact O-CG 3.05Å; N89-M93 PolarHBondContact O-N 3.41Å |
| 90 | T | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 84.8 Ų | 84.8 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.7 | -44.3 | 175.2 | -60 | 0 | 0 | 0 | 0 | 111.7 | K86 Y87 I88 M93 R94 | K86-T90 PolarHBondContact O-N 3.12Å; K86-T90 PolarHBondContact O-OG1 2.98Å; K86-T90 VanDerWaalsContact O-OG1 3.13Å; Y87-T90 PolarHBondContact O-N 3.25Å; I88-T90 PolarHBondContact O-N 3.24Å; T90-M93 PolarHBondContact O-N 2.65Å; T90-R94 WeakPolarHBondContact O-CB 3.4Å; T90-R94 PolarHBondContact O-N 2.64Å |
| 91 | L | 98.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 88.2 Ų | 88.2 | 41% | 0.414 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.8 | -69.3 | 177.6 | 0 | 0 | 0 | 111.5 | Y87 I88 N89 M93 R94 V95 | Y87-L91 HydrophobicContact CD1-CD1 4.11Å; Y87-L91 HydrophobicContact CD2-CD1 4.49Å; Y87-L91 HydrophobicContact CD2-CG 4.2Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CG 4.39Å; Y87-L91 HydrophobicContact CE2-CD1 4.11Å; Y87-L91 HydrophobicContact CE2-CD2 3.86Å; Y87-L91 HydrophobicContact CE2-CG 3.87Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 2.85Å; I88-L91 PolarHBondContact O-N 2.83Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.35Å; L91-M93 PolarHBondContact O-N 3.21Å; L91-R94 PolarHBondContact O-N 3.33Å; L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3Å |
| 92 | L | 98.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 86.8 Ų | 86.8 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.7 | -70.6 | 173 | 0 | 0 | 0 | 112 | I88 N89 V95 S96 | I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 2.95Å; N89-L92 PolarHBondContact O-N 2.98Å; L92-V95 PolarHBondContact O-N 3.16Å; L92-S96 PolarHBondContact O-N 3.06Å |
| 93 | M | 98.2 | Very high | 97.3 | Very high | 121 Ų | 121 | 82.2 Ų | 82.2 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 174.4 | -66.9 | -62.2 | 93.7 | 0 | 0 | 111.6 | N89 T90 L91 S96 L97 | N89-M93 WeakPolarHBondContact O-CG 3.05Å; N89-M93 PolarHBondContact O-N 3.41Å; T90-M93 PolarHBondContact O-N 2.65Å; L91-M93 PolarHBondContact O-N 3.21Å; M93-S96 PolarHBondContact O-N 3.11Å; M93-L97 WeakPolarHBondContact O-CG 3.39Å; M93-L97 PolarHBondContact O-N 3.25Å |
| 94 | R | 98.4 | Very high | 97.2 | Very high | 134 Ų | 134 | 84.1 Ų | 84.1 | 51% | 0.506 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.8 | -174.9 | 57.9 | 175.5 | 163.6 | 3.6 | 112.1 | T90 L91 L97 L98 | T90-R94 WeakPolarHBondContact O-CB 3.4Å; T90-R94 PolarHBondContact O-N 2.64Å; L91-R94 PolarHBondContact O-N 3.33Å; R94-L97 PolarHBondContact O-N 2.61Å; R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.48Å; R94-L98 WeakPolarHBondContact O-CB 3.5Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.4Å |
| 95 | V | 98.4 | Very high | 97 | Very high | 76 Ų | 76 | 89.7 Ų | 89.7 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L91 L92 L97 L98 E99 | L91-V95 WeakPolarHBondContact O-CG2 3.4Å; L91-V95 PolarHBondContact O-N 3Å; L92-V95 PolarHBondContact O-N 3.16Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.34Å; V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.44Å; V95-E99 PolarHBondContact O-N 3.18Å |
| 96 | S | 98 | Very high | 96.7 | Very high | 65 Ų | 65 | 93.2 Ų | 93.2 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | L92 M93 E99 S100 | L92-S96 PolarHBondContact O-N 3.06Å; M93-S96 PolarHBondContact O-N 3.11Å; S96-E99 PolarHBondContact O-N 3.24Å; S96-S100 PolarHBondContact O-N 3.23Å; S96-S100 VanDerWaalsContact O-N 3.1Å |
| 97 | L | 97.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.9 | -72.1 | 172.7 | 0 | 0 | 0 | 111.6 | M93 R94 V95 E99 S100 E101 | M93-L97 WeakPolarHBondContact O-CG 3.39Å; M93-L97 PolarHBondContact O-N 3.25Å; R94-L97 PolarHBondContact O-N 2.61Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.83Å; L97-E99 PolarHBondContact O-N 2.88Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-S100 PolarHBondContact O-OG 3.4Å; L97-E101 WeakPolarHBondContact O-CB 3.09Å; L97-E101 PolarHBondContact O-N 3.3Å |
| 98 | L | 98 | Very high | 96 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 37% | 0.366 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.6 | -72.6 | 172 | 0 | 0 | 0 | 112.1 | R94 V95 S100 E101 V102 | R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 HydrophobicContact CG-CG 4.48Å; R94-L98 WeakPolarHBondContact O-CB 3.5Å; R94-L98 VanDerWaalsContact O-CG 3.28Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.4Å; V95-L98 PolarHBondContact O-N 3.34Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.04Å; L98-E101 PolarHBondContact O-N 2.86Å; L98-V102 WeakPolarHBondContact O-CB 3.41Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å |
| 99 | E | 96.8 | Very high | 95.5 | Very high | 127 Ų | 127 | 92.6 Ų | 92.6 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 174.5 | -75 | 177.5 | 165.1 | 0 | 0 | 111.9 | V95 S96 L97 A103 | V95-E99 HydrophobicContact CG1-CG 4.35Å; V95-E99 WeakPolarHBondContact O-CG 3.44Å; V95-E99 PolarHBondContact O-N 3.18Å; S96-E99 PolarHBondContact O-N 3.24Å; L97-E99 PolarHBondContact O-N 2.88Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.02Å |
| 100 | S | 95.5 | Very high | 94.2 | Very high | 66 Ų | 66 | 90.7 Ų | 90.7 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 175.7 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | S96 L97 L98 A103 V104 | S96-S100 PolarHBondContact O-N 3.23Å; S96-S100 VanDerWaalsContact O-N 3.1Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-S100 PolarHBondContact O-OG 3.4Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.04Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.95Å; S100-V104 WeakPolarHBondContact O-CG2 3.5Å; S100-V104 PolarHBondContact O-N 2.87Å |
| 101 | E | 95.7 | Very high | 92.7 | Very high | 78 Ų | 78 | 92.2 Ų | 92.2 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 178 | -178.8 | 177.8 | 175.5 | 0 | 0 | 111.1 | L97 L98 A103 V104 Y105 | L97-E101 WeakPolarHBondContact O-CB 3.09Å; L97-E101 PolarHBondContact O-N 3.3Å; L98-E101 PolarHBondContact O-N 2.86Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; E101-V104 PolarHBondContact O-N 3.5Å; E101-Y105 HydrophobicContact CG-CD2 3.83Å; E101-Y105 HydrophobicContact CG-CE2 3.44Å; E101-Y105 VanDerWaalsContact CG-CE2 3.44Å; E101-Y105 WeakPolarHBondContact O-CD2 3.35Å; E101-Y105 PolarHBondContact O-N 3.36Å; E101-Y105 WeakPolarHBondContact OE1-CE2 3.31Å |
| 102 | V | 95.1 | Very high | 90.8 | Very high | 67 Ų | 67 | 95.7 Ų | 95.7 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L98 Y105 R106 | L98-V102 WeakPolarHBondContact O-CB 3.41Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å; V102-Y105 PolarHBondContact O-N 2.88Å; V102-R106 HydrophobicContact CG1-CG 4.44Å; V102-R106 WeakPolarHBondContact O-CG 3.44Å; V102-R106 PolarHBondContact O-N 3.24Å |
| 103 | A | 93.5 | Very high | 88.9 | Confident | 25 Ų | 25 | 98.7 Ų | 98.7 | 21% | 0.207 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E99 S100 E101 Q107 | E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 3.02Å; S100-A103 WeakPolarHBondContact O-CB 3.27Å; S100-A103 PolarHBondContact O-N 2.95Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; A103-Q107 VanDerWaalsContact O-CG 3.29Å; A103-Q107 WeakPolarHBondContact O-CG 3.47Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.14Å; A103-Q107 PolarHBondContact O-NE2 3.35Å |
| 104 | V | 93.4 | Very high | 86.6 | Confident | 93 Ų | 93 | 99 Ų | 99 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 173.7 | 173 | 0 | 0 | 0 | 0 | 110.7 | S100 E101 R106 Q107 S108 | S100-V104 WeakPolarHBondContact O-CG2 3.5Å; S100-V104 PolarHBondContact O-N 2.87Å; E101-V104 PolarHBondContact O-N 3.5Å; V104-R106 PolarHBondContact O-N 3.5Å; V104-Q107 PolarHBondContact O-N 3.03Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 3.28Å |
| 105 | Y | 93.2 | Very high | 84.6 | Confident | 144 Ų | 144 | 97.9 Ų | 97.9 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 176.8 | -77.6 | -57.8 | 0 | 0 | 0 | 112.4 | E101 V102 Q107 S108 A109 | E101-Y105 HydrophobicContact CG-CD2 3.83Å; E101-Y105 HydrophobicContact CG-CE2 3.44Å; E101-Y105 VanDerWaalsContact CG-CE2 3.44Å; E101-Y105 WeakPolarHBondContact O-CD2 3.35Å; E101-Y105 PolarHBondContact O-N 3.36Å; E101-Y105 WeakPolarHBondContact OE1-CE2 3.31Å; V102-Y105 PolarHBondContact O-N 2.88Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.92Å; Y105-S108 WeakPolarHBondContact CA-OG 3.42Å; Y105-S108 PolarHBondContact O-N 3.46Å; Y105-S108 PolarHBondContact O-OG 3.3Å; Y105-A109 VanDerWaalsContact O-CB 3.29Å; Y105-A109 WeakPolarHBondContact O-CB 3.46Å; Y105-A109 PolarHBondContact O-N 3.45Å |
| 106 | R | 92.1 | Very high | 82.1 | Confident | 125 Ų | 125 | 99.6 Ų | 99.6 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.5 | -41.7 | 175.8 | -73.8 | -170.1 | -56.2 | -104.8 | -1.5 | 112.5 | V102 V104 L111 | V102-R106 HydrophobicContact CG1-CG 4.44Å; V102-R106 WeakPolarHBondContact O-CG 3.44Å; V102-R106 PolarHBondContact O-N 3.24Å; V104-R106 PolarHBondContact O-N 3.5Å; R106-L111 PolarHBondContact O-N 3.04Å |
| 107 | Q | 89.9 | Confident | 79.5 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64 | -43.9 | 176.1 | -71.9 | 170.7 | 53.7 | 0 | 0 | 111.4 | A103 V104 Y105 | A103-Q107 VanDerWaalsContact O-CG 3.29Å; A103-Q107 WeakPolarHBondContact O-CG 3.47Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.14Å; A103-Q107 PolarHBondContact O-NE2 3.35Å; V104-Q107 PolarHBondContact O-N 3.03Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.92Å |
| 108 | S | 89.9 | Confident | 77 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.4 | -31.3 | 179.8 | 68 | 0 | 0 | 0 | 0 | 114.2 | V104 Y105 G110 | V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 3.28Å; Y105-S108 WeakPolarHBondContact CA-OG 3.42Å; Y105-S108 PolarHBondContact O-N 3.46Å; Y105-S108 PolarHBondContact O-OG 3.3Å; S108-G110 PolarHBondContact O-N 2.97Å |
| 109 | A | 87.7 | Confident | 74.3 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | 0.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y105 L111 | Y105-A109 VanDerWaalsContact O-CB 3.29Å; Y105-A109 WeakPolarHBondContact O-CB 3.46Å; Y105-A109 PolarHBondContact O-N 3.45Å; A109-L111 HydrophobicContact CB-CD1 4.1Å; A109-L111 HydrophobicContact CB-CG 3.97Å; A109-L111 PolarHBondContact O-N 3.1Å; A109-L111 VanDerWaalsContact O-N 3.14Å |
| 110 | G | 72 | Confident | 72.3 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 60% | 0.598 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.8 | 14.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S108 Q112 | S108-G110 PolarHBondContact O-N 2.97Å; G110-Q112 PolarHBondContact O-N 3.07Å |
| 111 | L | 65.8 | Low | 69.7 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | trans | -82.8 | 59.5 | 176.7 | -61.2 | 177.3 | 0 | 0 | 0 | 109.5 | R106 A109 L113 | R106-L111 PolarHBondContact O-N 3.04Å; A109-L111 HydrophobicContact CB-CD1 4.1Å; A109-L111 HydrophobicContact CB-CG 3.97Å; A109-L111 PolarHBondContact O-N 3.1Å; A109-L111 VanDerWaalsContact O-N 3.14Å; L111-L113 PolarHBondContact O-N 3.03Å | ||
| 112 | Q | 58.6 | Low | 67.1 | Low | 151 Ų | 151 | 110 Ų | 110 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | trans | -72 | 97.7 | 170.5 | -68.8 | -81.5 | 80.3 | 0 | 0 | 107.7 | G110 N114 | G110-Q112 PolarHBondContact O-N 3.07Å; Q112-N114 VanDerWaalsContact C-N 3.33Å; Q112-N114 PolarHBondContact O-N 3.1Å | ||
| 113 | L | 59.1 | Low | 64.6 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | trans | -64.1 | 104.6 | 153.2 | -92.1 | 152.3 | 0 | 0 | 0 | 106.1 | L111 P115 | L111-L113 PolarHBondContact O-N 3.03Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å; L113-P115 VanDerWaalsContact O-N 3.14Å | ||
| 114 | N | 50.5 | Low | 62.3 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | trans | -48 | 117.8 | 165.2 | -165.7 | 18.2 | 0 | 0 | 0 | 107.4 | Q112 V116 | Q112-N114 VanDerWaalsContact C-N 3.33Å; Q112-N114 PolarHBondContact O-N 3.1Å; N114-V116 PolarHBondContact O-N 3.36Å | ||
| 115 | P | 56.4 | Low | 60 | Low | 111 Ų | 111 | 116.3 Ų | 116.3 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | trans | -69.7 | 85.1 | 170.2 | 28.1 | -29.3 | 0 | 0 | 0 | 106.5 | L113 S117 | L113-P115 WeakPolarHBondContact O-CD 3.42Å; L113-P115 VanDerWaalsContact O-N 3.14Å; P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.9Å | ||
| 116 | V | 45.5 | Very low | 57.7 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | trans | -63.6 | 107.8 | 155.8 | 170.3 | 0 | 0 | 0 | 0 | 104.4 | N114 S118 | N114-V116 PolarHBondContact O-N 3.36Å; V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.48Å | ||
| 117 | S | 43.9 | Very low | 55.3 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -41.2 | 93.6 | 165.4 | -47.4 | 0 | 0 | 0 | 0 | 109.7 | P115 E119 | P115-S117 VanDerWaalsContact C-N 3.3Å; P115-S117 PolarHBondContact O-N 2.9Å; S117-E119 PolarHBondContact O-N 3.12Å | ||
| 118 | S | 44.2 | Very low | 53.1 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -77.7 | 71.8 | 158.8 | -87.3 | 0 | 0 | 0 | 0 | 107 | V116 L120 | V116-S118 VanDerWaalsContact C-N 3.3Å; V116-S118 PolarHBondContact O-N 3.48Å; S118-L120 PolarHBondContact O-N 3.07Å | ||
| 119 | E | 42.6 | Very low | 50.9 | Low | 180 Ų | 180 | 121.5 Ų | 121.5 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -67.1 | 83.4 | 151.1 | -67.7 | -147.3 | 150.1 | 0 | 0 | 107.5 | S117 | S117-E119 PolarHBondContact O-N 3.12Š| ||
| 120 | L | 53.3 | Low | 49.1 | Very low | 153 Ų | 153 | 129 Ų | 129 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | trans | -128.2 | 84.7 | 161 | -102.2 | 144.5 | 0 | 0 | 0 | 107.3 | S118 | S118-L120 PolarHBondContact O-N 3.07Š| ||
| 121 | S | 42 | Very low | 47.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 55.2 | 99 | 140.3 | -160.5 | 0 | 0 | 0 | 0 | 115.5 | S123 | S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å | ||
| 122 | G | 40.3 | Very low | 47.3 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -53.2 | 94.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S124 | G122-S124 PolarHBondContact O-N 2.99Š| ||
| 123 | S | 42.5 | Very low | 47.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -70.8 | 73.2 | 153.7 | 161.8 | 0 | 0 | 0 | 0 | 107.5 | S121 V125 | S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å; S123-V125 PolarHBondContact O-N 3.36Å | ||
| 124 | S | 46 | Very low | 46.7 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -57.3 | 106 | 153.1 | 178.8 | 0 | 0 | 0 | 0 | 106.1 | G122 T126 | G122-S124 PolarHBondContact O-N 2.99Å; S124-T126 PolarHBondContact O-N 3.31Å | ||
| 125 | V | 44.7 | Very low | 47.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -70.3 | 77.2 | 165.8 | -164.5 | 0 | 0 | 0 | 0 | 105.7 | S123 S127 | S123-V125 PolarHBondContact O-N 3.36Å; V125-S127 PolarHBondContact O-N 3.01Å; V125-S127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | T | 44.9 | Very low | 47.1 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 61% | 0.607 | 77% | 0.766 | S | S | * | * | trans | -56.2 | 118.4 | 167.8 | 54.7 | 0 | 0 | 0 | 0 | 106.4 | S124 R128 | S124-T126 PolarHBondContact O-N 3.31Å; T126-R128 PolarHBondContact O-N 3.39Å | ||
| 127 | S | 42.6 | Very low | 47.6 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -42.3 | 106.8 | 168.1 | -58 | 0 | 0 | 0 | 0 | 109.4 | V125 K129 | V125-S127 PolarHBondContact O-N 3.01Å; V125-S127 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact O-N 2.88Å | ||
| 128 | R | 43.1 | Very low | 48.3 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -69 | 85.6 | 170.6 | -73.7 | -174.5 | -167.3 | 164 | 3.2 | 108.1 | T126 R130 | T126-R128 PolarHBondContact O-N 3.39Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.23Å | ||
| 129 | K | 42.5 | Very low | 48.6 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 89.6 | 162 | -175.8 | 170 | -178.2 | 173.3 | 0 | 107.5 | S127 R131 | S127-K129 PolarHBondContact O-N 2.88Å; K129-R131 PolarHBondContact O-N 3.22Å; K129-R131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | R | 50.8 | Low | 49 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -70.3 | 99.9 | 166 | -74.2 | -175.3 | 174.7 | 167.6 | -1.7 | 107.8 | R128 | R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 3.23Å | ||
| 131 | R | 42.7 | Very low | 48.3 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -75.8 | 125.4 | 147.9 | -70.4 | -174.5 | 170.9 | -119.5 | 2.1 | 106.1 | K129 | K129-R131 PolarHBondContact O-N 3.22Å; K129-R131 VanDerWaalsContact O-N 3.09Å | ||
| 132 | S | 56.9 | Low | 48.9 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -134.3 | 120.8 | 159.2 | -172.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 133 | D | 56.5 | Low | 49.3 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 160.4 | -177.7 | -69.2 | -57 | 0 | 0 | 0 | 113.1 | ||||
| 134 | D | 48.8 | Very low | 49.7 | Very low | 141 Ų | 141 | 156 Ų | 156 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -25.7 | 132.6 | 170.7 | -67.1 | -90.5 | 0 | 0 | 0 | 117 | ||||
| 135 | L | 63.2 | Low | 49.9 | Very low | 177 Ų | 177 | 163.1 Ų | 163.1 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | -157.9 | 119.5 | 135.1 | -99.4 | 143.8 | 0 | 0 | 0 | 109.6 | ||||
| 136 | K | 53.2 | Low | 50.1 | Low | 196 Ų | 196 | 168.7 Ų | 168.7 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 128.1 | 171 | -66 | 163.6 | 172.1 | 174.3 | 0 | 110.4 | ||||
| 137 | D | 56 | Low | 50.2 | Low | 165 Ų | 165 | 174.7 Ų | 174.7 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | 178.5 | 151.5 | 110.3 | -135.1 | -21.4 | 0 | 0 | 0 | 111.1 | |||||
| 138 | R | 57 | Low | 50.3 | Low | 218 Ų | 218 | 179.8 Ų | 179.8 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -97.2 | -177.5 | -169.5 | -158.5 | -159.6 | 160 | -116 | -1.9 | 110.4 | ||||
| 139 | P | 52.1 | Low | 50.6 | Low | 72 Ų | 72 | 174.9 Ų | 174.9 | 47% | 0.468 | 80% | 0.804 | S | S | . | * | -110.3 | 171 | -77 | 36.2 | -23.5 | 0 | 0 | 0 | 113.4 | |||||
| 140 | D | 50.5 | Low | 50.5 | Low | 157 Ų | 157 | 173.9 Ų | 173.9 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | -167 | 134.4 | 129.8 | -96.8 | -30.3 | 0 | 0 | 0 | 111.7 | I142 | D140-I142 PolarHBondContact O-N 3.29Š| |||
| 141 | C | 38.7 | Very low | 50.9 | Low | 115 Ų | 115 | 171 Ų | 171 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 116.6 | -175.5 | 85.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 142 | I | 53.9 | Low | 50.7 | Low | 146 Ų | 146 | 170 Ų | 170 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -115.6 | 108.5 | 163.8 | -62.3 | -179.8 | 0 | 0 | 0 | 108 | D140 N144 | D140-I142 PolarHBondContact O-N 3.29Å; I142-N144 PolarHBondContact O-N 3.46Å | ||
| 143 | R | 49.1 | Very low | 49.7 | Very low | 234 Ų | 234 | 167.2 Ų | 167.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 94 | -178.7 | -158.9 | -175.9 | -62.7 | -176.8 | 1.5 | 108.9 | R145 | R143-R145 PolarHBondContact O-N 3.07Š| ||
| 144 | N | 51 | Low | 49 | Very low | 153 Ų | 153 | 168.4 Ų | 168.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 114.6 | 176.9 | -89.6 | -32 | 0 | 0 | 0 | 111.4 | I142 R146 | I142-N144 PolarHBondContact O-N 3.46Å; N144-R146 PolarHBondContact O-N 3.42Å | ||
| 145 | R | 49.7 | Very low | 48.7 | Very low | 239 Ų | 239 | 171.3 Ų | 171.3 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -44.8 | 120.3 | 168 | -82.4 | 176.6 | 180 | 172.3 | 0 | 110.9 | R143 R147 | R143-R145 PolarHBondContact O-N 3.07Å; R145-R147 PolarHBondContact O-N 3.42Å | ||
| 146 | R | 49 | Very low | 47.5 | Very low | 245 Ų | 245 | 169.1 Ų | 169.1 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 98.5 | 163.7 | -160.1 | 177.3 | -167.4 | -167.1 | 3.2 | 108 | N144 R148 | N144-R146 PolarHBondContact O-N 3.42Å; R146-R148 PolarHBondContact O-N 3.49Å | ||
| 147 | R | 47.7 | Very low | 46.8 | Very low | 226 Ų | 226 | 164.9 Ų | 164.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -62.1 | 116.8 | 163.4 | -91.4 | -175.5 | -81.2 | 155.2 | -5.1 | 107.5 | R145 V149 | R145-R147 PolarHBondContact O-N 3.42Å; R147-V149 PolarHBondContact O-N 3.35Å | ||
| 148 | R | 44.1 | Very low | 46.2 | Very low | 221 Ų | 221 | 160.9 Ų | 160.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -60.7 | 111.7 | 163.3 | 178.3 | -173.9 | -101.4 | -155.5 | -4.4 | 106.2 | R146 | R146-R148 PolarHBondContact O-N 3.49Š| ||
| 149 | V | 49.7 | Very low | 45.4 | Very low | 117 Ų | 117 | 161.9 Ų | 161.9 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 110.3 | 167.4 | 174.4 | 0 | 0 | 0 | 0 | 105.7 | R147 I151 | R147-V149 PolarHBondContact O-N 3.35Å; V149-I151 HydrophobicContact CG1-CG1 4.22Å; V149-I151 PolarHBondContact O-N 2.93Å | ||
| 150 | E | 41 | Very low | 45.1 | Very low | 150 Ų | 150 | 165.2 Ų | 165.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 113.6 | 162.8 | -70.1 | 178.9 | 166 | 0 | 0 | 106.9 | E152 | E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 3.35Å | ||
| 151 | I | 58.6 | Low | 44.6 | Very low | 160 Ų | 160 | 165.1 Ų | 165.1 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | -85.8 | 82.8 | 169 | -62.8 | 174.3 | 0 | 0 | 0 | 105.5 | V149 | V149-I151 HydrophobicContact CG1-CG1 4.22Å; V149-I151 PolarHBondContact O-N 2.93Å | ||
| 152 | E | 37.8 | Very low | 44.8 | Very low | 184 Ų | 184 | 170.3 Ų | 170.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -89.5 | 127.8 | 150 | -75.3 | -164.5 | 155.2 | 0 | 0 | 107 | E150 | E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 3.35Å | ||
| 153 | G | 37 | Very low | 44.5 | Very low | 60 Ų | 60 | 168.4 Ų | 168.4 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | 151.6 | 109.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 154 | I | 41.4 | Very low | 44 | Very low | 160 Ų | 160 | 165.4 Ų | 165.4 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | trans | 86.3 | 84.3 | 141 | -49.5 | 158.3 | 0 | 0 | 0 | 114.7 | D156 | I154-D156 PolarHBondContact O-N 3.28Š| ||
| 155 | Y | 42.7 | Very low | 43.9 | Very low | 203 Ų | 203 | 167.2 Ų | 167.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -67 | 116 | 150.7 | 53.5 | -84.3 | 0 | 0 | 0 | 108.1 | S157 | Y155-S157 VanDerWaalsContact C-N 3.34Å; Y155-S157 PolarHBondContact O-N 3.49Å | ||
| 156 | D | 37.7 | Very low | 43.6 | Very low | 131 Ų | 131 | 160.2 Ų | 160.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -88 | 82.3 | 164 | -169.5 | -2.6 | 0 | 0 | 0 | 108 | I154 S158 | I154-D156 PolarHBondContact O-N 3.28Å; D156-S158 VanDerWaalsContact C-N 3.33Å; D156-S158 PolarHBondContact O-N 2.95Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-OG 3.3Å | ||
| 157 | S | 38.5 | Very low | 43.6 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -84.3 | 76.7 | 170.6 | -76.1 | 0 | 0 | 0 | 0 | 109.1 | Y155 | Y155-S157 VanDerWaalsContact C-N 3.34Å; Y155-S157 PolarHBondContact O-N 3.49Å | ||
| 158 | S | 43.7 | Very low | 43.4 | Very low | 82 Ų | 82 | 152.7 Ų | 152.7 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -138.1 | 50.7 | 174.8 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | D156 | D156-S158 VanDerWaalsContact C-N 3.33Å; D156-S158 PolarHBondContact O-N 2.95Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-OG 3.3Å | ||
| 159 | R | 40.4 | Very low | 43.4 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -164.8 | 72.5 | 160.8 | -121.4 | 169.3 | -172.8 | -115.7 | 2.4 | 114.4 | ||||
| 160 | T | 45.5 | Very low | 43.5 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -133 | 83.3 | 161.1 | 57 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 161 | N | 40.3 | Very low | 43.5 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -80.9 | 102.3 | 156 | -81.3 | -53.9 | 0 | 0 | 0 | 106.4 | ||||
| 162 | Y | 41.6 | Very low | 42.9 | Very low | 225 Ų | 225 | 145 Ų | 145 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -164.9 | 98.2 | 148.7 | -107 | -75.7 | 0 | 0 | 0 | 109.9 | ||||
| 163 | V | 48.8 | Very low | 43.5 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | 46.9 | 97.7 | 140.3 | -166 | 0 | 0 | 0 | 0 | 117.8 | F165 | V163-F165 HydrophobicContact CG1-CD2 3.59Å; V163-F165 HydrophobicContact CG1-CE2 3.6Å | ||
| 164 | H | 37.7 | Very low | 43.8 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | -69.7 | 120.2 | 161 | -179.8 | -87.2 | 0 | 0 | 0 | 110.6 | ||||
| 165 | F | 49.2 | Very low | 44 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -121.6 | 128.3 | 160.4 | -92.9 | -77.8 | 0 | 0 | 0 | 109.7 | V163 | V163-F165 HydrophobicContact CG1-CD2 3.59Å; V163-F165 HydrophobicContact CG1-CE2 3.6Å | ||
| 166 | S | 44.1 | Very low | 44.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -59.2 | 154.4 | -170.4 | -55.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 167 | P | 48.7 | Very low | 44.8 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -98.7 | 131.6 | 159.7 | 34.4 | -23.5 | 0 | 0 | 0 | 110.9 | ||||
| 168 | E | 43.8 | Very low | 45 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -131.6 | 114.8 | 168.6 | -165.4 | 160.4 | 142 | 0 | 0 | 111.3 | ||||
| 169 | S | 42.5 | Very low | 45 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 19.1 | 132 | 147.9 | -46.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 170 | T | 52.3 | Low | 45.2 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 157.1 | 103.5 | 126.7 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 171 | D | 42.1 | Very low | 45.3 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 66.9 | 140.9 | 88.3 | -154.7 | 16.1 | 0 | 0 | 0 | 116.4 | |||||
| 172 | T | 46.1 | Very low | 45.1 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 114.2 | 92.7 | 152.1 | -45.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 173 | H | 49.1 | Very low | 45.5 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | 78.8 | 121.9 | 130.1 | -56.2 | -28.1 | 0 | 0 | 0 | 125.6 | ||||
| 174 | Q | 43.2 | Very low | 45.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 56.3 | 120.3 | 125.8 | -57.3 | -179.3 | 68.1 | 0 | 0 | 117.8 | |||||
| 175 | S | 46.5 | Very low | 45.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | -172.6 | 136.8 | 79.5 | -56.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 176 | S | 45.6 | Very low | 45.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -72.5 | -161.6 | 169.7 | -39.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 177 | P | 51.1 | Low | 44.9 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -148.2 | 173.4 | -7 | 22.7 | 5.1 | 0 | 0 | 0 | 118.6 | ||||
| 178 | L | 42.5 | Very low | 44.4 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 67.6 | 128.7 | 138.1 | -69.3 | 158.3 | 0 | 0 | 0 | 123.2 | ||||
| 179 | T | 45 | Very low | 44.2 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | -174.9 | 95.4 | 120.3 | 43.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 180 | S | 42.8 | Very low | 43.9 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | 49.1 | 111.1 | 92.3 | 63 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 181 | F | 47.7 | Very low | 43.2 | Very low | 214 Ų | 214 | 129.4 Ų | 129.4 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -153.9 | 109 | 130.8 | -101.6 | -73.4 | 0 | 0 | 0 | 110.8 | ||||
| 182 | N | 37.3 | Very low | 43.5 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -74.6 | 146.4 | 164.8 | -81.3 | -24 | 0 | 0 | 0 | 109.7 | ||||
| 183 | S | 49.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -145.3 | 126.2 | 149.9 | -75.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 184 | S | 39.9 | Very low | 43.3 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -87.8 | 173.9 | -163.4 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 185 | T | 38.5 | Very low | 43.2 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 79.9 | 137.9 | 160.4 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 186 | S | 51.5 | Low | 43.5 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -155.7 | 148.3 | 17.6 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | C188 | S186-C188 PolarHBondContact O-N 2.89Š| ||
| 187 | I | 38.1 | Very low | 44 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | trans | -66.2 | 120.1 | 175.4 | -29.2 | 173.4 | 0 | 0 | 0 | 108.3 | ||||
| 188 | C | 37.3 | Very low | 44.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -134.7 | 113.7 | 170.3 | -145.8 | 0 | 0 | 0 | 0 | 109.9 | S186 | S186-C188 PolarHBondContact O-N 2.89Š| ||
| 189 | S | 38.9 | Very low | 46.1 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 6.1 | 132.9 | 161.6 | -51.2 | 0 | 0 | 0 | 0 | 120.1 | S191 | S189-S191 PolarHBondContact O-N 3.48Š| ||
| 190 | A | 37.7 | Very low | 48 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -35.7 | 117.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 191 | S | 37.5 | Very low | 50.1 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -108.4 | 134.7 | 169.8 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | S189 Q193 | S189-S191 PolarHBondContact O-N 3.48Å; S191-Q193 PolarHBondContact O-N 3.37Å; S191-Q193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | P | 47.7 | Very low | 52 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | -63.7 | 119.2 | -175.2 | -12.7 | 26.4 | 0 | 0 | 0 | 109.6 | P194 | P192-P194 VanDerWaalsContact O-CD 3.29Å; P192-P194 WeakPolarHBondContact O-CD 3.35Å | ||
| 193 | Q | 37.7 | Very low | 54.5 | Low | 170 Ų | 170 | 108.2 Ų | 108.2 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -67.5 | 119.4 | 173.1 | -145.9 | -162.2 | 1.5 | 0 | 0 | 108.2 | S191 D195 | S191-Q193 PolarHBondContact O-N 3.37Å; S191-Q193 VanDerWaalsContact O-N 3.16Å; Q193-D195 PolarHBondContact O-N 3.04Å | ||
| 194 | P | 53.5 | Low | 56.7 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | trans | -78.9 | 112.3 | 172.1 | 30 | -28.4 | 0 | 0 | 0 | 107.9 | P192 S196 | P192-P194 VanDerWaalsContact O-CD 3.29Å; P192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-S196 PolarHBondContact O-N 3.24Å; P194-S196 PolarHBondContact O-OG 3.24Å | ||
| 195 | D | 41 | Very low | 59.1 | Low | 110 Ų | 110 | 109 Ų | 109 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | trans | -48.9 | 107.3 | 166 | -71.6 | -49.3 | 0 | 0 | 0 | 108.7 | Q193 T197 S198 | Q193-D195 PolarHBondContact O-N 3.04Å; D195-T197 PolarHBondContact O-N 2.87Å; D195-S198 WeakPolarHBondContact O-CB 3.39Å; D195-S198 PolarHBondContact O-N 3.01Å | ||
| 196 | S | 53.8 | Low | 61.6 | Low | 102 Ų | 102 | 109 Ų | 109 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -6.5 | -170.4 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | P194 | P194-S196 PolarHBondContact O-N 3.24Å; P194-S196 PolarHBondContact O-OG 3.24Å |
| 197 | T | 54.8 | Low | 63.7 | Low | 115 Ų | 115 | 109 Ų | 109 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -39.8 | 171.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | D195 S199 T200 A201 | D195-T197 PolarHBondContact O-N 2.87Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.18Å; T197-T200 PolarHBondContact O-N 3.38Å; T197-A201 PolarHBondContact O-N 2.88Å |
| 198 | S | 60.9 | Low | 66.3 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59 | -39.2 | 176.8 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | D195 T200 A201 A202 | D195-S198 WeakPolarHBondContact O-CB 3.39Å; D195-S198 PolarHBondContact O-N 3.01Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.44Å; S198-A201 PolarHBondContact O-N 3.35Å; S198-A202 WeakPolarHBondContact O-CB 3.38Å; S198-A202 PolarHBondContact O-N 2.96Å |
| 199 | S | 76.7 | Confident | 68.9 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 31% | 0.308 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -28.1 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 114.2 | T197 R203 | T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 3.18Å; S199-R203 WeakPolarHBondContact O-CB 3.42Å; S199-R203 VanDerWaalsContact O-CG 3.24Å; S199-R203 WeakPolarHBondContact O-CG 3.01Å; S199-R203 PolarHBondContact O-N 3.16Å; S199-R203 PolarHBondContact O-NE 3.27Å; S199-R203 VanDerWaalsContact O-NE 3.07Å; S199-R203 PolarHBondContact OG-NE 3.46Å; S199-R203 PolarHBondContact OG-NH2 3.37Å |
| 200 | T | 84.4 | Confident | 71.3 | Confident | 81 Ų | 81 | 100.4 Ų | 100.4 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -80.9 | -41.5 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | T197 S198 R203 L204 | T197-T200 PolarHBondContact O-N 3.38Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.44Å; T200-R203 PolarHBondContact O-N 2.97Å; T200-L204 HydrophobicContact CG2-CD1 4.36Å; T200-L204 WeakPolarHBondContact O-CG 3.41Å; T200-L204 PolarHBondContact O-N 3.17Å |
| 201 | A | 87.7 | Confident | 73.7 | Confident | 50 Ų | 50 | 99.1 Ų | 99.1 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.3 | -49.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T197 S198 R203 L204 E205 | T197-A201 PolarHBondContact O-N 2.88Å; S198-A201 PolarHBondContact O-N 3.35Å; A201-R203 VanDerWaalsContact C-N 3.28Å; A201-R203 PolarHBondContact O-N 2.93Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.2Å; A201-E205 PolarHBondContact O-N 2.97Å |
| 202 | A | 87.9 | Confident | 76.1 | Confident | 50 Ų | 50 | 100.4 Ų | 100.4 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S198 E205 H206 | S198-A202 WeakPolarHBondContact O-CB 3.38Å; S198-A202 PolarHBondContact O-N 2.96Å; A202-E205 PolarHBondContact O-N 2.9Å; A202-H206 PolarHBondContact O-N 3.37Å |
| 203 | R | 89.8 | Confident | 77.7 | Confident | 163 Ų | 163 | 102 Ų | 102 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | 173.8 | -84.3 | -176.3 | -108.8 | -147.7 | -0.6 | 112.4 | S199 T200 A201 L207 | S199-R203 WeakPolarHBondContact O-CB 3.42Å; S199-R203 VanDerWaalsContact O-CG 3.24Å; S199-R203 WeakPolarHBondContact O-CG 3.01Å; S199-R203 PolarHBondContact O-N 3.16Å; S199-R203 PolarHBondContact O-NE 3.27Å; S199-R203 VanDerWaalsContact O-NE 3.07Å; S199-R203 PolarHBondContact OG-NE 3.46Å; S199-R203 PolarHBondContact OG-NH2 3.37Å; T200-R203 PolarHBondContact O-N 2.97Å; A201-R203 VanDerWaalsContact C-N 3.28Å; A201-R203 PolarHBondContact O-N 2.93Å; R203-L207 WeakPolarHBondContact O-CG 3.32Å; R203-L207 PolarHBondContact O-N 2.9Å; R203-L207 VanDerWaalsContact O-N 3.09Å |
| 204 | L | 95.7 | Very high | 79.7 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 175.9 | -70.8 | 171.8 | 0 | 0 | 0 | 111.7 | T200 A201 L207 V208 | T200-L204 HydrophobicContact CG2-CD1 4.36Å; T200-L204 WeakPolarHBondContact O-CG 3.41Å; T200-L204 PolarHBondContact O-N 3.17Å; A201-L204 WeakPolarHBondContact O-CB 3.21Å; A201-L204 PolarHBondContact O-N 3.2Å; L204-L207 PolarHBondContact O-N 3.4Å; L204-V208 WeakPolarHBondContact O-CG2 3.32Å; L204-V208 PolarHBondContact O-N 3.45Å |
| 205 | E | 91.1 | Very high | 80.5 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.621 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -45.5 | 174.8 | -72 | -174.3 | -178.6 | 0 | 0 | 112.1 | A201 A202 L207 V208 M209 | A201-E205 PolarHBondContact O-N 2.97Å; A202-E205 PolarHBondContact O-N 2.9Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.31Å; E205-V208 PolarHBondContact O-N 3.36Å; E205-V208 VanDerWaalsContact O-N 3.16Å; E205-M209 WeakPolarHBondContact O-CG 3.35Å; E205-M209 PolarHBondContact O-N 2.64Å |
| 206 | H | 90.7 | Very high | 81.5 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.7 | -40.8 | 173.2 | -105.9 | -144.2 | 0 | 0 | 0 | 112.5 | A202 M209 A210 | A202-H206 PolarHBondContact O-N 3.37Å; H206-M209 WeakPolarHBondContact CD2-CE 3.37Å; H206-A210 WeakPolarHBondContact O-CB 3.49Å; H206-A210 PolarHBondContact O-N 3.34Å |
| 207 | L | 94.5 | Very high | 81.4 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -40.4 | 175.9 | -77.4 | 167.2 | 0 | 0 | 0 | 112.1 | R203 L204 E205 A210 I211 | R203-L207 WeakPolarHBondContact O-CG 3.32Å; R203-L207 PolarHBondContact O-N 2.9Å; R203-L207 VanDerWaalsContact O-N 3.09Å; L204-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 2.89Å; L207-I211 WeakPolarHBondContact O-CD1 3.39Å; L207-I211 VanDerWaalsContact O-CG1 3.24Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 2.99Å |
| 208 | V | 92.6 | Very high | 81 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -47.5 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L204 E205 A210 I211 E212 | L204-V208 WeakPolarHBondContact O-CG2 3.32Å; L204-V208 PolarHBondContact O-N 3.45Å; E205-V208 PolarHBondContact O-N 3.36Å; E205-V208 VanDerWaalsContact O-N 3.16Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.28Å; V208-I211 PolarHBondContact O-N 3.43Å; V208-E212 PolarHBondContact O-N 2.88Å |
| 209 | M | 92.3 | Very high | 80.3 | Confident | 94 Ų | 94 | 98.3 Ų | 98.3 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -39.6 | 176.7 | -69.4 | -167.8 | -62 | 0 | 0 | 112.3 | E205 H206 E212 Q213 | E205-M209 WeakPolarHBondContact O-CG 3.35Å; E205-M209 PolarHBondContact O-N 2.64Å; H206-M209 WeakPolarHBondContact CD2-CE 3.37Å; M209-E212 PolarHBondContact O-N 3.24Å; M209-Q213 WeakPolarHBondContact O-CG 3.24Å; M209-Q213 PolarHBondContact O-N 3.43Å; M209-Q213 VanDerWaalsContact O-N 3.09Å |
| 210 | A | 90.1 | Very high | 79 | Confident | 44 Ų | 44 | 103.5 Ų | 103.5 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H206 L207 V208 Q213 I214 | H206-A210 WeakPolarHBondContact O-CB 3.49Å; H206-A210 PolarHBondContact O-N 3.34Å; L207-A210 PolarHBondContact O-N 2.89Å; V208-A210 VanDerWaalsContact C-N 3.31Å; V208-A210 PolarHBondContact O-N 3.28Å; A210-Q213 PolarHBondContact O-N 3.31Å; A210-I214 WeakPolarHBondContact O-CD1 3.35Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.39Å; A210-I214 PolarHBondContact O-N 3.14Å |
| 211 | I | 87.3 | Confident | 77 | Confident | 84 Ų | 84 | 107.4 Ų | 107.4 | 43% | 0.431 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -41.5 | 176.4 | -66.8 | 163.1 | 0 | 0 | 0 | 110.4 | L207 V208 Q213 I214 E215 | L207-I211 WeakPolarHBondContact O-CD1 3.39Å; L207-I211 VanDerWaalsContact O-CG1 3.24Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 2.99Å; V208-I211 PolarHBondContact O-N 3.43Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 3.43Å; I211-E215 HydrophobicContact CG2-CG 4.14Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 PolarHBondContact O-N 3.42Å |
| 212 | E | 87.2 | Confident | 74.8 | Confident | 134 Ų | 134 | 110.7 Ų | 110.7 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.9 | -35.1 | 177.2 | -172.2 | 170.6 | -163.2 | 0 | 0 | 112.3 | V208 M209 I214 G216 | V208-E212 PolarHBondContact O-N 2.88Å; M209-E212 PolarHBondContact O-N 3.24Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-G216 WeakPolarHBondContact O-CA 3.35Å; E212-G216 PolarHBondContact O-N 3.38Å |
| 213 | Q | 82.3 | Confident | 72.4 | Confident | 154 Ų | 154 | 113.1 Ų | 113.1 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68 | -31.8 | 172.5 | -71.8 | 176.6 | 6.3 | 0 | 0 | 113.1 | M209 A210 I211 | M209-Q213 WeakPolarHBondContact O-CG 3.24Å; M209-Q213 PolarHBondContact O-N 3.43Å; M209-Q213 VanDerWaalsContact O-N 3.09Å; A210-Q213 PolarHBondContact O-N 3.31Å; I211-Q213 VanDerWaalsContact C-N 3.3Å; I211-Q213 PolarHBondContact O-N 3.1Å |
| 214 | I | 79.9 | Confident | 70.2 | Confident | 141 Ų | 141 | 110.9 Ų | 110.9 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.1 | -39.2 | 177 | -64.7 | 164.2 | 0 | 0 | 0 | 110.8 | A210 I211 E212 | A210-I214 WeakPolarHBondContact O-CD1 3.35Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.39Å; A210-I214 PolarHBondContact O-N 3.14Å; I211-I214 PolarHBondContact O-N 3.43Å; E212-I214 VanDerWaalsContact C-N 3.34Å |
| 215 | E | 70.6 | Confident | 67.6 | Low | 163 Ų | 163 | 113.9 Ų | 113.9 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.8 | -28.3 | -178.3 | -68 | -177.3 | 164.9 | 0 | 0 | 112.9 | I211 | I211-E215 HydrophobicContact CG2-CG 4.14Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 PolarHBondContact O-N 3.42Å |
| 216 | G | 61 | Low | 65.4 | Low | 66 Ų | 66 | 113.5 Ų | 113.5 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -89.4 | -1.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E212 G218 | E212-G216 WeakPolarHBondContact O-CA 3.35Å; E212-G216 PolarHBondContact O-N 3.38Å; G216-G218 PolarHBondContact O-N 3.26Å |
| 217 | G | 52.6 | Low | 63 | Low | 59 Ų | 59 | 109.9 Ų | 109.9 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | -89.1 | 17.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A219 | G217-A219 PolarHBondContact O-N 3.48Š| ||
| 218 | G | 45.7 | Very low | 60.5 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | trans | -80.7 | 46 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G216 L220 | G216-G218 PolarHBondContact O-N 3.26Å; G218-L220 PolarHBondContact O-N 3.45Å | ||
| 219 | A | 46.8 | Very low | 58.2 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -90.4 | 90.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | G217 | G217-A219 PolarHBondContact O-N 3.48Š| ||
| 220 | L | 48.8 | Very low | 55.9 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | trans | 34.2 | 90.9 | 138.9 | -55.3 | 175.6 | 0 | 0 | 0 | 116.8 | G218 V222 | G218-L220 PolarHBondContact O-N 3.45Å; L220-V222 HydrophobicContact CD2-CG2 4.48Å | ||
| 221 | N | 42.7 | Very low | 54 | Low | 162 Ų | 162 | 122.7 Ų | 122.7 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | trans | -110.1 | 71.4 | 149.9 | -152.9 | 10.6 | 0 | 0 | 0 | 108.6 | ||||
| 222 | V | 40.2 | Very low | 52.2 | Low | 119 Ų | 119 | 123.9 Ų | 123.9 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -93.5 | 95.2 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | L220 | L220-V222 HydrophobicContact CD2-CG2 4.48Š| ||
| 223 | S | 39.1 | Very low | 50.2 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -93 | 123.5 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 224 | P | 43.3 | Very low | 48.5 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126.6 | 176.7 | -5.7 | 23.3 | 0 | 0 | 0 | 111.7 | ||
| 225 | Q | 41.7 | Very low | 46.9 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 168.9 | 155.2 | -87.4 | -98.6 | -2.8 | 0 | 0 | 110.9 | ||
| 226 | P | 44 | Very low | 45.6 | Very low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | cis | -139 | 157 | 17.4 | 34 | -12 | 0 | 0 | 0 | 117.1 | ||||
| 227 | G | 39.5 | Very low | 44.8 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -155.9 | 107.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | S | 43.2 | Very low | 44.7 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -28.8 | 129.6 | 170.3 | 52.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 229 | H | 44.6 | Very low | 44.9 | Very low | 182 Ų | 182 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -161.4 | 119.1 | 132 | -125.7 | -85.6 | 0 | 0 | 0 | 110.6 | ||||
| 230 | D | 42.4 | Very low | 45.5 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 133.6 | 166.7 | -59.8 | -67.2 | 0 | 0 | 0 | 110.1 | ||||
| 231 | E | 50.3 | Low | 45.7 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -148.8 | 110 | 154.5 | -83.8 | -70.7 | 92 | 0 | 0 | 107.2 | ||||
| 232 | S | 49.5 | Very low | 45.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 130 | 173.3 | -71.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 233 | F | 46.4 | Very low | 46.1 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -145.5 | 100.6 | 150.9 | -88.9 | -74.6 | 0 | 0 | 0 | 112.3 | ||||
| 234 | S | 45.6 | Very low | 45.9 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 36.5 | 118.3 | 132.7 | -155.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 235 | T | 46.2 | Very low | 45.8 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 133.9 | 161.6 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 236 | G | 43.5 | Very low | 46 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 93.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 237 | D | 45.3 | Very low | 45.6 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -82 | 121.3 | 171.2 | -173 | 9.5 | 0 | 0 | 0 | 108.4 | ||||
| 238 | H | 49.5 | Very low | 46.3 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -141.3 | 100.9 | 170 | -89.7 | -57.4 | 0 | 0 | 0 | 109.8 | ||||
| 239 | S | 49.3 | Very low | 46.2 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140 | 159.7 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 240 | P | 61 | Low | 46.2 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 150.6 | 164.1 | 9.7 | 8.1 | 0 | 0 | 0 | 111.4 | ||
| 241 | P | 51.4 | Low | 46.1 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 154.4 | -164.5 | 33.2 | -35.2 | 0 | 0 | 0 | 114 | T243 | P241-T243 PolarHBondContact O-N 3.14Š|
| 242 | E | 41.3 | Very low | 45.4 | Very low | 195 Ų | 195 | 148 Ų | 148 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.5 | 164.6 | -71 | -166.7 | 138.5 | 0 | 0 | 111 | ||
| 243 | T | 51.3 | Low | 45.1 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -101.8 | 103.7 | 160.4 | 29.9 | 0 | 0 | 0 | 0 | 110 | P241 | P241-T243 PolarHBondContact O-N 3.14Š| ||
| 244 | Y | 34.6 | Very low | 44.6 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 121 | 166.6 | -166.6 | -70.9 | 0 | 0 | 0 | 110.7 | H246 | Y244-H246 AromaticContact CD1-CD2 3.59Å; Y244-H246 AromaticContact CD1-NE2 3.76Å; Y244-H246 HydrophobicContact CE1-CB 4.32Å; Y244-H246 AromaticContact CE1-CD2 3.16Å; Y244-H246 WeakPolarHBondContact CE1-CD2 3.46Å; Y244-H246 AromaticContact CE1-CE1 3.2Å; Y244-H246 WeakPolarHBondContact CE1-CE1 3.24Å; Y244-H246 AromaticContact CE1-CG 3.39Å; Y244-H246 AromaticContact CE1-ND1 3.43Å; Y244-H246 WeakPolarHBondContact CE1-ND1 3.36Å; Y244-H246 AromaticContact CE1-NE2 3.04Å; Y244-H246 WeakPolarHBondContact CE1-NE2 3.35Å; Y244-H246 AromaticContact CZ-CE1 3.52Å; Y244-H246 AromaticContact CZ-ND1 3.99Å; Y244-H246 AromaticContact CZ-NE2 3.65Å; Y244-H246 PolarHBondContact OH-CE1 3.36Å | ||
| 245 | W | 42.2 | Very low | 44.2 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -116.7 | 107.8 | 165.2 | -80.6 | 103.5 | 0 | 0 | 0 | 109.6 | ||||
| 246 | H | 44.6 | Very low | 43.9 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.4 | 169.3 | -82 | -77.1 | 0 | 0 | 0 | 110.6 | Y244 | Y244-H246 AromaticContact CD1-CD2 3.59Å; Y244-H246 AromaticContact CD1-NE2 3.76Å; Y244-H246 HydrophobicContact CE1-CB 4.32Å; Y244-H246 AromaticContact CE1-CD2 3.16Å; Y244-H246 WeakPolarHBondContact CE1-CD2 3.46Å; Y244-H246 AromaticContact CE1-CE1 3.2Å; Y244-H246 WeakPolarHBondContact CE1-CE1 3.24Å; Y244-H246 AromaticContact CE1-CG 3.39Å; Y244-H246 AromaticContact CE1-ND1 3.43Å; Y244-H246 WeakPolarHBondContact CE1-ND1 3.36Å; Y244-H246 AromaticContact CE1-NE2 3.04Å; Y244-H246 WeakPolarHBondContact CE1-NE2 3.35Å; Y244-H246 AromaticContact CZ-CE1 3.52Å; Y244-H246 AromaticContact CZ-ND1 3.99Å; Y244-H246 AromaticContact CZ-NE2 3.65Å; Y244-H246 PolarHBondContact OH-CE1 3.36Å |
| 247 | S | 37 | Very low | 43.7 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 135.2 | 163.8 | -72.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 248 | P | 52.2 | Low | 43.8 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 130.9 | 161.4 | -10.6 | 28.1 | 0 | 0 | 0 | 111.5 | ||
| 249 | Q | 41.5 | Very low | 43.1 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 123.8 | 166.2 | -70.8 | 176.8 | -45.3 | 0 | 0 | 110.2 | ||
| 250 | E | 44.5 | Very low | 42.8 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -151.6 | 102.5 | 150.7 | -67 | -163.1 | 164.5 | 0 | 0 | 107.8 | ||||
| 251 | N | 40.8 | Very low | 41.7 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 69.8 | 106.3 | 92.8 | -106.3 | 10.6 | 0 | 0 | 0 | 117.2 | |||||
| 252 | Y | 35.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 157.9 Ų | 157.9 | 74% | 0.737 | 81% | 0.807 | S | S | * | * | trans | 75.3 | 141.2 | 136.4 | -88.7 | -82.7 | 0 | 0 | 0 | 125 | ||||
| 253 | H | 43.6 | Very low | 41 | Very low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 82 | 112.4 | 160.2 | -55.7 | -35.2 | 0 | 0 | 0 | 116.2 | ||||
| 254 | G | 36.7 | Very low | 40.4 | Very low | 67 Ų | 67 | 155.9 Ų | 155.9 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 96.3 | 83.1 | 22.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 255 | Y | 37 | Very low | 40.6 | Very low | 228 Ų | 228 | 156.4 Ų | 156.4 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -143.8 | 119.3 | 161.4 | -74.4 | -75.8 | 0 | 0 | 0 | 109.9 | ||||
| 256 | A | 40.2 | Very low | 40.5 | Very low | 97 Ų | 97 | 154.4 Ų | 154.4 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -86.4 | 148.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 257 | Y | 39.2 | Very low | 40.4 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -127.6 | 142.1 | 164.2 | -144.7 | -91 | 0 | 0 | 0 | 109.9 | ||||
| 258 | V | 46 | Very low | 40.4 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -100.5 | 146.5 | -160.9 | -145.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 259 | D | 35.6 | Very low | 40 | Very low | 168 Ų | 168 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -65.1 | 142.3 | 171.4 | -111.4 | -30.4 | 0 | 0 | 0 | 111.9 | ||||
| 260 | A | 42.2 | Very low | 40 | Very low | 86 Ų | 86 | 152 Ų | 152 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -129 | 110.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 261 | Q | 38.2 | Very low | 39.7 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -75.7 | 129.5 | 161.7 | -68 | -178.9 | 9.3 | 0 | 0 | 109.2 | ||||
| 262 | T | 42 | Very low | 39.7 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -136.8 | 118.1 | 160.7 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 263 | S | 36.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -56.5 | 140.2 | 163.6 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 264 | N | 37.7 | Very low | 40.1 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -152 | 112.7 | 150.3 | -129.8 | -45.4 | 0 | 0 | 0 | 111.1 | ||||
| 265 | Q | 37.9 | Very low | 40.7 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -79 | 135.8 | 165 | -71.8 | -174.3 | 9.3 | 0 | 0 | 109.2 | ||||
| 266 | K | 41.1 | Very low | 41 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -154.4 | 100.1 | 156.5 | -151.7 | 141.1 | -177.1 | 177.6 | 0 | 113 | ||||
| 267 | S | 41.5 | Very low | 41.2 | Very low | 82 Ų | 82 | 150.4 Ų | 150.4 | 57% | 0.573 | 81% | 0.81 | S | S | * | * | 51.4 | 124.6 | 129.7 | 73.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 268 | N | 38.3 | Very low | 41.5 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | trans | 78.4 | 115.5 | 132.3 | -54.9 | -11.4 | 0 | 0 | 0 | 119 | ||||
| 269 | N | 44.5 | Very low | 41.3 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | -162.9 | 121.8 | 101.9 | -84.4 | -34.9 | 0 | 0 | 0 | 110.9 | |||||
| 270 | L | 40.6 | Very low | 42 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -73.5 | 137.9 | 167.6 | -80.7 | 83.8 | 0 | 0 | 0 | 109.5 | ||||
| 271 | F | 38.1 | Very low | 42.3 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -134.4 | 115.5 | 144.6 | -124.4 | -90.1 | 0 | 0 | 0 | 107.6 | ||||
| 272 | A | 41.2 | Very low | 42.3 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 133.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 273 | D | 45.9 | Very low | 42.6 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -144.8 | 91.1 | 150.4 | -93.2 | -32.4 | 0 | 0 | 0 | 108.7 | ||||
| 274 | S | 41.5 | Very low | 42.7 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 30 | 95 | 131.4 | -158.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 275 | L | 49.3 | Very low | 42.9 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -149.5 | 118.2 | 131.5 | -75.7 | -171.8 | 0 | 0 | 0 | 108.9 | L277 | L275-L277 PolarHBondContact O-N 3.07Š| ||
| 276 | L | 43.4 | Very low | 42.8 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -56.1 | 125.1 | 175.6 | -73.9 | 155.4 | 0 | 0 | 0 | 111.2 | ||||
| 277 | L | 44.2 | Very low | 42.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -175.6 | 116.8 | 131.3 | -112.1 | 98.4 | 0 | 0 | 0 | 109.2 | L275 | L275-L277 PolarHBondContact O-N 3.07Š| ||
| 278 | T | 45.4 | Very low | 42.2 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | 43.4 | 119.7 | 156.4 | 54.5 | 0 | 0 | 0 | 0 | 120.3 | V280 | T278-V280 PolarHBondContact O-N 3.41Š| ||
| 279 | P | 42.2 | Very low | 42 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 120.3 | 173.3 | 32.6 | -29.4 | 0 | 0 | 0 | 110.2 | ||
| 280 | V | 49.9 | Very low | 41.6 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 127.6 | 162.6 | 171 | 0 | 0 | 0 | 0 | 107.6 | T278 | T278-V280 PolarHBondContact O-N 3.41Š|
| 281 | S | 49.2 | Very low | 41.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 136.3 | -176 | -49.3 | 0 | 0 | 0 | 0 | 114 | I283 | S281-I283 PolarHBondContact O-N 3.09Š|
| 282 | E | 37.5 | Very low | 41.6 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 117.3 | 168.1 | -66.8 | 172.6 | 152.6 | 0 | 0 | 110.8 | ||
| 283 | I | 47.2 | Very low | 41.9 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | -112.5 | 99.9 | 157.3 | -60.2 | 175.1 | 0 | 0 | 0 | 105.6 | S281 P285 | S281-I283 PolarHBondContact O-N 3.09Å; I283-P285 VanDerWaalsContact O-CD 3.31Å; I283-P285 WeakPolarHBondContact O-CD 3.48Å | ||
| 284 | N | 40.1 | Very low | 41.7 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 118.7 | 164.6 | -85.4 | -55.4 | 0 | 0 | 0 | 108.7 | S286 | N284-S286 VanDerWaalsContact C-N 3.34Å; N284-S286 PolarHBondContact O-N 3.32Å | ||
| 285 | P | 41.9 | Very low | 42 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -86.9 | 86.1 | 157.8 | 25.6 | -9.8 | 0 | 0 | 0 | 107 | I283 L287 | I283-P285 VanDerWaalsContact O-CD 3.31Å; I283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-L287 HydrophobicContact CB-CD1 4.31Å; P285-L287 PolarHBondContact O-N 2.95Å | ||
| 286 | S | 35.6 | Very low | 42.1 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -67.5 | 83.6 | 155 | 52 | 0 | 0 | 0 | 0 | 107.3 | N284 N288 | N284-S286 VanDerWaalsContact C-N 3.34Å; N284-S286 PolarHBondContact O-N 3.32Å; S286-N288 PolarHBondContact O-N 3.25Å | ||
| 287 | L | 35.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | trans | -83.8 | 106.2 | 165.1 | -107.7 | 117.1 | 0 | 0 | 0 | 107.8 | P285 T289 | P285-L287 HydrophobicContact CB-CD1 4.31Å; P285-L287 PolarHBondContact O-N 2.95Å; L287-T289 PolarHBondContact O-N 3.34Å | ||
| 288 | N | 33.6 | Very low | 43.1 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -45.9 | 119.2 | 169.8 | -71.7 | -24.1 | 0 | 0 | 0 | 110.7 | S286 S290 | S286-N288 PolarHBondContact O-N 3.25Å; N288-S290 PolarHBondContact O-N 3.32Å | ||
| 289 | T | 35.4 | Very low | 43.9 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -62.5 | 92 | 155.5 | -36.7 | 0 | 0 | 0 | 0 | 106.5 | L287 D291 | L287-T289 PolarHBondContact O-N 3.34Å; T289-D291 PolarHBondContact O-N 3.21Å | ||
| 290 | S | 36 | Very low | 45.3 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -82.1 | 105.9 | 160.7 | -55.9 | 0 | 0 | 0 | 0 | 105.2 | N288 N292 | N288-S290 PolarHBondContact O-N 3.32Å; S290-N292 PolarHBondContact O-N 3.35Å | ||
| 291 | D | 42.9 | Very low | 46.1 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -59.7 | 78.3 | 160.4 | -71.5 | -44 | 0 | 0 | 0 | 108 | T289 V293 | T289-D291 PolarHBondContact O-N 3.21Å; D291-V293 PolarHBondContact O-N 3.16Å | ||
| 292 | N | 36.5 | Very low | 47.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 79.7 | 159.8 | -163.6 | -11.5 | 0 | 0 | 0 | 105.8 | S290 Q294 | S290-N292 PolarHBondContact O-N 3.35Å; N292-Q294 PolarHBondContact O-N 3.06Å | ||
| 293 | V | 45.7 | Very low | 49 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | -57.7 | 97.8 | 154.1 | 176.4 | 0 | 0 | 0 | 0 | 104.4 | D291 T295 | D291-V293 PolarHBondContact O-N 3.16Å; V293-T295 HydrophobicContact CG1-CG2 4.11Å; V293-T295 PolarHBondContact O-N 2.93Å | ||
| 294 | Q | 42 | Very low | 50.2 | Low | 153 Ų | 153 | 122.3 Ų | 122.3 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | trans | -65.8 | 89.1 | 167.6 | -170.3 | 139.5 | 15.7 | 0 | 0 | 106.3 | N292 H296 | N292-Q294 PolarHBondContact O-N 3.06Å; Q294-H296 PolarHBondContact O-N 3.36Å; Q294-H296 PolarHBondContact O-ND1 3.02Å; Q294-H296 VanDerWaalsContact O-ND1 3.08Å | ||
| 295 | T | 47.5 | Very low | 51.6 | Low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -61 | 86.3 | 159.6 | 53.4 | 0 | 0 | 0 | 0 | 105.1 | V293 N297 | V293-T295 HydrophobicContact CG1-CG2 4.11Å; V293-T295 PolarHBondContact O-N 2.93Å; T295-N297 PolarHBondContact O-N 3.43Å | ||
| 296 | H | 52 | Low | 53 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 68% | 0.681 | 65% | 0.645 | S | S | * | * | trans | -61.1 | 107.7 | 165.9 | 41.8 | -78.2 | 0 | 0 | 0 | 104.9 | Q294 T298 | Q294-H296 PolarHBondContact O-N 3.36Å; Q294-H296 PolarHBondContact O-ND1 3.02Å; Q294-H296 VanDerWaalsContact O-ND1 3.08Å; H296-T298 PolarHBondContact O-N 3.24Å | ||
| 297 | N | 50 | Low | 54.8 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | trans | -50 | 118.6 | 172.4 | -102.8 | -13.3 | 0 | 0 | 0 | 106.9 | T295 E299 D300 | T295-N297 PolarHBondContact O-N 3.43Å; N297-E299 PolarHBondContact O-N 3.06Å; N297-D300 PolarHBondContact O-N 2.89Å | ||
| 298 | T | 58.2 | Low | 56.5 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 39% | 0.393 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -64 | -7.5 | -177 | -40.5 | 0 | 0 | 0 | 0 | 111.8 | H296 D300 Y301 A305 | H296-T298 PolarHBondContact O-N 3.24Å; T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 3.43Å; T298-Y301 CarbonylContact O-C 3.56Å; T298-Y301 PolarHBondContact O-N 3.05Å; T298-A305 HydrophobicContact CG2-CB 3.64Å |
| 299 | E | 63.9 | Low | 58.4 | Low | 169 Ų | 169 | 117.8 Ų | 117.8 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -63.6 | -28 | 175.9 | -61.1 | -160.7 | 155.7 | 0 | 0 | 113.8 | N297 Y301 | N297-E299 PolarHBondContact O-N 3.06Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.24Å |
| 300 | D | 70.5 | Confident | 60.2 | Low | 131 Ų | 131 | 119.6 Ų | 119.6 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -76.1 | -14.5 | 179.2 | -71.9 | -32.4 | 0 | 0 | 0 | 113.6 | N297 T298 | N297-D300 PolarHBondContact O-N 2.89Å; T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 3.43Å |
| 301 | Y | 66.9 | Low | 62.2 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | trans | -133.9 | 77.4 | -179 | -74.5 | -87.2 | 0 | 0 | 0 | 111.2 | T298 E299 I303 V304 A305 | T298-Y301 CarbonylContact O-C 3.56Å; T298-Y301 PolarHBondContact O-N 3.05Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.24Å; Y301-I303 PolarHBondContact O-N 3.38Å; Y301-V304 HydrophobicContact CD1-CG2 4.44Å; Y301-V304 HydrophobicContact CG-CG2 4.3Å; Y301-V304 PolarHBondContact O-N 3.45Å; Y301-A305 PolarHBondContact O-N 3.44Å; Y301-A305 VanDerWaalsContact O-N 3.09Å | ||
| 302 | P | 72.8 | Confident | 63.6 | Low | 81 Ų | 81 | 119.1 Ų | 119.1 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60 | -24.3 | -177.9 | 23.2 | -34.2 | 0 | 0 | 0 | 113.1 | K306 | P302-K306 WeakPolarHBondContact O-CB 3.5Å; P302-K306 VanDerWaalsContact O-CG 3.26Å; P302-K306 WeakPolarHBondContact O-CG 3.3Å; P302-K306 PolarHBondContact O-N 2.85Å; P302-K306 VanDerWaalsContact O-N 3.11Å |
| 303 | I | 75.8 | Confident | 65.5 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 64% | 0.641 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.7 | -39.7 | 174.5 | -62.3 | 171.4 | 0 | 0 | 0 | 111 | Y301 K306 L307 | Y301-I303 PolarHBondContact O-N 3.38Å; I303-K306 PolarHBondContact O-N 3.22Å; I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 WeakPolarHBondContact O-CD1 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.15Å; I303-L307 PolarHBondContact O-N 3.43Å; I303-L307 VanDerWaalsContact O-N 3.12Å |
| 304 | V | 70.9 | Confident | 66.8 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 38% | 0.376 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.1 | -40.4 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110 | Y301 K306 L307 L308 | Y301-V304 HydrophobicContact CD1-CG2 4.44Å; Y301-V304 HydrophobicContact CG-CG2 4.3Å; Y301-V304 PolarHBondContact O-N 3.45Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.39Å; V304-L307 PolarHBondContact O-N 3.09Å; V304-L308 HydrophobicContact CG1-CD1 3.83Å; V304-L308 HydrophobicContact CG1-CG 4.26Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.07Å |
| 305 | A | 70.8 | Confident | 68.5 | Low | 31 Ų | 31 | 118.6 Ų | 118.6 | 26% | 0.256 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -55.5 | -45.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T298 Y301 L307 L308 N309 | T298-A305 HydrophobicContact CG2-CB 3.64Å; Y301-A305 PolarHBondContact O-N 3.44Å; Y301-A305 VanDerWaalsContact O-N 3.09Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.97Å; A305-L308 PolarHBondContact O-N 2.77Å; A305-N309 PolarHBondContact O-N 3.35Å; A305-N309 PolarHBondContact O-OD1 2.87Å |
| 306 | K | 71.2 | Confident | 69.7 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -22.9 | 177.2 | -74.4 | 176.2 | -178.5 | -176.9 | 0 | 113.6 | P302 I303 V304 R310 | P302-K306 WeakPolarHBondContact O-CB 3.5Å; P302-K306 VanDerWaalsContact O-CG 3.26Å; P302-K306 WeakPolarHBondContact O-CG 3.3Å; P302-K306 PolarHBondContact O-N 2.85Å; P302-K306 VanDerWaalsContact O-N 3.11Å; I303-K306 PolarHBondContact O-N 3.22Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.39Å; K306-R310 WeakPolarHBondContact O-CD 3.35Å; K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.38Å |
| 307 | L | 72.7 | Confident | 70.7 | Confident | 101 Ų | 101 | 119 Ų | 119 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -86.9 | -38.4 | 178.1 | -79.2 | 158.7 | 0 | 0 | 0 | 112.1 | I303 V304 A305 | I303-L307 HydrophobicContact CG2-CD1 4Å; I303-L307 WeakPolarHBondContact O-CD1 3.45Å; I303-L307 WeakPolarHBondContact O-CG 3.15Å; I303-L307 PolarHBondContact O-N 3.43Å; I303-L307 VanDerWaalsContact O-N 3.12Å; V304-L307 PolarHBondContact O-N 3.09Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.97Å |
| 308 | L | 70.7 | Confident | 71.6 | Confident | 121 Ų | 121 | 121.3 Ų | 121.3 | 63% | 0.634 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.5 | -32.5 | 178.8 | -72.3 | 169.6 | 0 | 0 | 0 | 112.7 | V304 A305 | V304-L308 HydrophobicContact CG1-CD1 3.83Å; V304-L308 HydrophobicContact CG1-CG 4.26Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.07Å; A305-L308 PolarHBondContact O-N 2.77Å |
| 309 | N | 73.6 | Confident | 72 | Confident | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 5.9 | -177.6 | -69.3 | 32.5 | 0 | 0 | 0 | 114 | A305 | A305-N309 PolarHBondContact O-N 3.35Å; A305-N309 PolarHBondContact O-OD1 2.87Å |
| 310 | R | 73.2 | Confident | 72.3 | Confident | 166 Ų | 166 | 126.5 Ų | 126.5 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -75.9 | 126.8 | 174.6 | -87.2 | 166.9 | 171.3 | 175 | -3 | 109.6 | K306 I312 | K306-R310 WeakPolarHBondContact O-CD 3.35Å; K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.38Å; R310-I312 PolarHBondContact O-N 3.34Å |
| 311 | P | 78.4 | Confident | 72.1 | Confident | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.5 | 173.8 | -23.1 | 31.6 | 0 | 0 | 0 | 110.1 | P313 | P311-P313 VanDerWaalsContact O-CD 3.27Å; P311-P313 WeakPolarHBondContact O-CD 3.44Å |
| 312 | I | 73.4 | Confident | 72 | Confident | 117 Ų | 117 | 126.8 Ų | 126.8 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120.2 | 173.5 | -59.3 | 173.6 | 0 | 0 | 0 | 106.8 | R310 H314 L317 | R310-I312 PolarHBondContact O-N 3.34Å; I312-H314 PolarHBondContact O-N 2.77Å; I312-L317 HydrophobicContact CB-CD1 4.01Å; I312-L317 HydrophobicContact CG2-CD1 3.62Å |
| 313 | P | 75.7 | Confident | 72 | Confident | 70 Ų | 70 | 128 Ų | 128 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 128.9 | -178.3 | -24.1 | 32.6 | 0 | 0 | 0 | 110.8 | P311 K315 Y316 | P311-P313 VanDerWaalsContact O-CD 3.27Å; P311-P313 WeakPolarHBondContact O-CD 3.44Å; P313-K315 HydrophobicContact CB-CG 4.17Å; P313-K315 PolarHBondContact O-N 2.88Å; P313-Y316 HydrophobicContact CB-CD2 3.8Å; P313-Y316 HydrophobicContact CB-CE2 3.97Å; P313-Y316 HydrophobicContact CG-CD2 3.98Å; P313-Y316 HydrophobicContact CG-CE2 3.92Å; P313-Y316 PolarHBondContact O-N 3.05Å |
| 314 | H | 72.5 | Confident | 71.8 | Confident | 156 Ų | 156 | 127.5 Ų | 127.5 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -51.8 | -25.1 | -176.2 | -78.3 | -82.3 | 0 | 0 | 0 | 114.6 | I312 Y316 L317 | I312-H314 PolarHBondContact O-N 2.77Å; H314-Y316 PolarHBondContact O-N 3.02Å; H314-L317 PolarHBondContact O-N 3.29Å |
| 315 | K | 78 | Confident | 71.4 | Confident | 153 Ų | 153 | 131.3 Ų | 131.3 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -59.7 | -22.7 | 174.1 | 73.1 | -174.8 | -175.5 | -173.4 | 0 | 114 | P313 | P313-K315 HydrophobicContact CB-CG 4.17Å; P313-K315 PolarHBondContact O-N 2.88Å |
| 316 | Y | 73.5 | Confident | 71.3 | Confident | 160 Ų | 160 | 135.2 Ų | 135.2 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -96 | -9.6 | 176.5 | -57.2 | -68.9 | 0 | 0 | 0 | 113.4 | P313 H314 H318 | P313-Y316 HydrophobicContact CB-CD2 3.8Å; P313-Y316 HydrophobicContact CB-CE2 3.97Å; P313-Y316 HydrophobicContact CG-CD2 3.98Å; P313-Y316 HydrophobicContact CG-CE2 3.92Å; P313-Y316 PolarHBondContact O-N 3.05Å; H314-Y316 PolarHBondContact O-N 3.02Å; Y316-H318 VanDerWaalsContact C-N 3.32Å |
| 317 | L | 71.7 | Confident | 71.1 | Confident | 107 Ų | 107 | 133.7 Ų | 133.7 | 56% | 0.56 | 69% | 0.694 | S | S | * | * | trans | -83.7 | -6.2 | 176.8 | -108.1 | 76.5 | 0 | 0 | 0 | 113.3 | I312 H314 R319 | I312-L317 HydrophobicContact CB-CD1 4.01Å; I312-L317 HydrophobicContact CG2-CD1 3.62Å; H314-L317 PolarHBondContact O-N 3.29Å; L317-R319 VanDerWaalsContact C-N 3.27Å; L317-R319 PolarHBondContact O-N 3.32Å | ||
| 318 | H | 70.3 | Confident | 70.6 | Confident | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 88.7 | 171.4 | -85.5 | 51 | 0 | 0 | 0 | 109.5 | Y316 P320 | Y316-H318 VanDerWaalsContact C-N 3.32Å; H318-P320 WeakPolarHBondContact O-CD 3.38Å | ||
| 319 | R | 66.5 | Low | 70.6 | Confident | 228 Ų | 228 | 142.1 Ų | 142.1 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -58.7 | 124.5 | 159.6 | -111.3 | -179.6 | -177.7 | -170 | 0.8 | 107 | L317 Q321 | L317-R319 VanDerWaalsContact C-N 3.27Å; L317-R319 PolarHBondContact O-N 3.32Å; R319-Q321 PolarHBondContact O-N 3.32Å; R319-Q321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | P | 68.5 | Low | 70.4 | Confident | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -54 | 121.5 | 165 | -19.1 | 30.2 | 0 | 0 | 0 | 107.5 | H318 V322 | H318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-V322 PolarHBondContact O-N 2.93Å; P320-V322 VanDerWaalsContact O-N 3.07Å | ||
| 321 | Q | 66.6 | Low | 70.3 | Confident | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -65.1 | 112.7 | 166.7 | -71.8 | -153.4 | -8.3 | 0 | 0 | 106.8 | R319 V323 | R319-Q321 PolarHBondContact O-N 3.32Å; R319-Q321 VanDerWaalsContact O-N 3.1Å; Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.01Å | ||
| 322 | V | 64.3 | Low | 69.8 | Low | 123 Ų | 123 | 142.4 Ų | 142.4 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -71.3 | 97.7 | 165.8 | 177.6 | 0 | 0 | 0 | 0 | 105.4 | P320 V324 | P320-V322 PolarHBondContact O-N 2.93Å; P320-V322 VanDerWaalsContact O-N 3.07Å; V322-V324 HydrophobicContact CG1-CG1 4.29Å; V322-V324 PolarHBondContact O-N 2.92Å; V322-V324 VanDerWaalsContact O-N 3.1Å | ||
| 323 | V | 72.9 | Confident | 69.6 | Low | 107 Ų | 107 | 143.9 Ų | 143.9 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | -70.9 | 102.8 | 169.8 | -173 | 0 | 0 | 0 | 0 | 106.4 | Q321 N325 | Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.01Å; V323-N325 WeakPolarHBondContact CG1-OD1 3.29Å; V323-N325 PolarHBondContact O-N 3.16Å | ||
| 324 | V | 72.9 | Confident | 69.2 | Low | 115 Ų | 115 | 148.9 Ų | 148.9 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -78.7 | 99.7 | 167.1 | -81.7 | 0 | 0 | 0 | 0 | 107.7 | V322 S326 | V322-V324 HydrophobicContact CG1-CG1 4.29Å; V322-V324 PolarHBondContact O-N 2.92Å; V322-V324 VanDerWaalsContact O-N 3.1Å; V324-S326 PolarHBondContact O-N 3.47Å | ||
| 325 | N | 60.9 | Low | 68.9 | Low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 100.4 | 170.1 | -71.5 | 0.4 | 0 | 0 | 0 | 108.1 | V323 S327 | V323-N325 WeakPolarHBondContact CG1-OD1 3.29Å; V323-N325 PolarHBondContact O-N 3.16Å; N325-S327 PolarHBondContact O-N 3.29Å | ||
| 326 | S | 70 | Confident | 68.2 | Low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -83.2 | 91.6 | 167.1 | -57.6 | 0 | 0 | 0 | 0 | 107.2 | V324 H328 | V324-S326 PolarHBondContact O-N 3.47Å; S326-H328 PolarHBondContact O-N 3.3Å | ||
| 327 | S | 66.8 | Low | 67.8 | Low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -74 | 114.7 | 166.9 | 47 | 0 | 0 | 0 | 0 | 108.2 | N325 | N325-S327 PolarHBondContact O-N 3.29Š| ||
| 328 | H | 62.1 | Low | 67.5 | Low | 256 Ų | 256 | 150.6 Ų | 150.6 | 100% | 1.185 | 80% | 0.803 | S | S | * | * | trans | -103.8 | 0 | 170.9 | -140.8 | -48.6 | 0 | 0 | 0 | 110.1 | S326 | S326-H328 PolarHBondContact O-N 3.3Š|
Retrieved 328 of 328 residues in 178.3 ms
(Link to these results)