| 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 | 33.6 | Very low | 43.8 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 100% | 1.158 | 86% | 0.856 | S | S | * | * | 0 | 148.6 | 0 | -76.1 | -58.6 | -78.1 | 0 | 0 | 108.8 | |||||
| 2 | P | 48.2 | Very low | 44 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 69% | 0.688 | 85% | 0.853 | S | S | * | * | trans | -105.5 | 172 | -134.7 | 38.2 | -36.2 | 0 | 0 | 0 | 115.8 | ||||
| 3 | T | 50.2 | Low | 44 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 82% | 0.816 | 85% | 0.846 | S | S | * | * | trans | -79.3 | 137.4 | 168.9 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | E | 53.2 | Low | 43.7 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | -136.2 | 154.9 | 159.8 | -70.9 | -161.3 | 142.7 | 0 | 0 | 111.6 | ||||
| 5 | T | 45.9 | Very low | 43.7 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | trans | -117.6 | 145.4 | -159.8 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | L | 45.5 | Very low | 43.9 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | 47 | 122 | 147 | -59.9 | 176.7 | 0 | 0 | 0 | 119.6 | ||||
| 7 | Q | 38.2 | Very low | 44.2 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -143.5 | 133.1 | 138.9 | -121.3 | 173.9 | 69.6 | 0 | 0 | 112.1 | ||||
| 8 | T | 42.9 | Very low | 44 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -93.3 | 116.7 | -174.1 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | G | 38.4 | Very low | 44.5 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -113.8 | 79.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M11 | G9-M11 PolarHBondContact O-N 3.32Š| ||
| 10 | S | 45.8 | Very low | 44.2 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 112.9 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 11 | M | 40 | Very low | 44.7 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -147.1 | 56.7 | 162.1 | -154 | -174.1 | 75.3 | 0 | 0 | 112.6 | G9 K13 | G9-M11 PolarHBondContact O-N 3.32Å; M11-K13 PolarHBondContact O-N 3.1Å; M11-K13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | V | 45.6 | Very low | 45.5 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -78.7 | 92.6 | 169.2 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | P14 | V12-P14 WeakPolarHBondContact O-CD 3.4Š| ||
| 13 | K | 44.1 | Very low | 46.2 | Very low | 176 Ų | 176 | 132 Ų | 132 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -71 | 117.2 | 170.8 | -174 | 173.7 | -176.6 | 174.1 | 0 | 108.8 | M11 V15 | M11-K13 PolarHBondContact O-N 3.1Å; M11-K13 VanDerWaalsContact O-N 3.1Å; K13-V15 PolarHBondContact O-N 3.02Å | ||
| 14 | P | 40.2 | Very low | 46.4 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 104.1 | -177.6 | 27.9 | -33.3 | 0 | 0 | 0 | 110.5 | V12 S16 | V12-P14 WeakPolarHBondContact O-CD 3.4Å; P14-S16 PolarHBondContact O-N 3.23Å | ||
| 15 | V | 43.6 | Very low | 46.4 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 115 | 164.1 | 167.3 | 0 | 0 | 0 | 0 | 107.8 | K13 | K13-V15 PolarHBondContact O-N 3.02Š| ||
| 16 | S | 47.8 | Very low | 47 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -62.5 | 128.8 | 174.4 | -42.4 | 0 | 0 | 0 | 0 | 109.6 | P14 A18 | P14-S16 PolarHBondContact O-N 3.23Å; S16-A18 PolarHBondContact O-N 3.07Å; S16-A18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | P | 48.3 | Very low | 47.5 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -67.5 | 112.6 | 168.6 | 27.6 | -31.3 | 0 | 0 | 0 | 107.9 | G19 | P17-G19 PolarHBondContact O-N 3.32Š| ||
| 18 | A | 41.1 | Very low | 48.7 | Very low | 82 Ų | 82 | 120 Ų | 120 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -53.7 | 138.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S16 T20 | S16-A18 PolarHBondContact O-N 3.07Å; S16-A18 VanDerWaalsContact O-N 3.07Å; A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 2.91Å | ||
| 19 | G | 52.7 | Low | 49.9 | Very low | 64 Ų | 64 | 117.4 Ų | 117.4 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -70.2 | 82.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P17 F21 | P17-G19 PolarHBondContact O-N 3.32Å; G19-F21 VanDerWaalsContact C-N 3.3Å; G19-F21 WeakPolarHBondContact O-CD2 3.38Å; G19-F21 PolarHBondContact O-N 2.99Å | ||
| 20 | T | 38.9 | Very low | 51.4 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | -67.7 | 88.3 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | A18 T22 | A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 2.91Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 HydrophobicContact CG2-CG2 3.7Å; T20-T22 PolarHBondContact O-N 3.3Å | ||
| 21 | F | 55.7 | Low | 52.7 | Low | 202 Ų | 202 | 121.6 Ų | 121.6 | 89% | 0.886 | 71% | 0.709 | S | S | * | * | trans | -72.5 | 82.9 | 166.5 | -79.8 | -87.5 | 0 | 0 | 0 | 109.1 | G19 | G19-F21 VanDerWaalsContact C-N 3.3Å; G19-F21 WeakPolarHBondContact O-CD2 3.38Å; G19-F21 PolarHBondContact O-N 2.99Å | ||
| 22 | T | 50.2 | Low | 54.4 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | trans | -125.7 | 137.3 | 169.9 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | T20 | T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 HydrophobicContact CG2-CG2 3.7Å; T20-T22 PolarHBondContact O-N 3.3Å | ||
| 23 | S | 61.4 | Low | 56.1 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -29.3 | 159.5 | 165.2 | -163.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 24 | A | 56 | Low | 57.5 | Low | 71 Ų | 71 | 109.8 Ų | 109.8 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | 77.8 | 164.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 25 | V | 52.3 | Low | 59.2 | Low | 92 Ų | 92 | 109.2 Ų | 109.2 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | trans | 74.3 | 111.9 | 178.9 | -165.7 | 0 | 0 | 0 | 0 | 116.4 | L27 | V25-L27 VanDerWaalsContact C-N 3.29Å; V25-L27 HydrophobicContact CG1-CB 4.07Å; V25-L27 HydrophobicContact CG1-CG 4.39Å; V25-L27 PolarHBondContact O-N 2.91Å | ||
| 26 | P | 57.5 | Low | 60.5 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 79% | 0.786 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -75.4 | -11.3 | 179.4 | 30.6 | -35 | 0 | 0 | 0 | 114.3 | R28 | P26-R28 VanDerWaalsContact C-N 3.33Å; P26-R28 PolarHBondContact O-N 2.85Å |
| 27 | L | 57.6 | Low | 61.7 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -83.6 | 1.7 | -172.8 | -57.9 | 176.7 | 0 | 0 | 0 | 114.9 | V25 I29 L30 | V25-L27 VanDerWaalsContact C-N 3.29Å; V25-L27 HydrophobicContact CG1-CB 4.07Å; V25-L27 HydrophobicContact CG1-CG 4.39Å; V25-L27 PolarHBondContact O-N 2.91Å; L27-I29 PolarHBondContact O-N 3.2Å; L27-L30 HydrophobicContact CD2-CD1 4.32Å; L27-L30 PolarHBondContact O-N 3.28Å; L27-L30 VanDerWaalsContact O-N 3.16Å |
| 28 | R | 62.7 | Low | 62.9 | Low | 154 Ų | 154 | 113 Ų | 113 | 58% | 0.581 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -64.2 | -10.7 | -173.1 | -66 | -171.2 | -61.6 | 133.6 | 4.9 | 114.5 | P26 K32 | P26-R28 VanDerWaalsContact C-N 3.33Å; P26-R28 PolarHBondContact O-N 2.85Å; R28-K32 WeakPolarHBondContact O-CD 3.49Å; R28-K32 WeakPolarHBondContact O-CE 3.48Å; R28-K32 PolarHBondContact O-NZ 3.46Å |
| 29 | I | 67.3 | Low | 64 | Low | 82 Ų | 82 | 117.3 Ų | 117.3 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -82 | -28.8 | 178.5 | -56.2 | 174.4 | 0 | 0 | 0 | 112.4 | L27 N31 K32 Y36 F37 | L27-I29 PolarHBondContact O-N 3.2Å; I29-N31 PolarHBondContact O-N 2.97Å; I29-K32 WeakPolarHBondContact O-CB 3.41Å; I29-K32 PolarHBondContact O-N 3.46Å; I29-K32 VanDerWaalsContact O-N 3.09Å; I29-Y36 HydrophobicContact CG1-CE1 4.26Å; I29-F37 HydrophobicContact CG2-CE1 4.27Å; I29-F37 HydrophobicContact CG2-CE2 4.17Å; I29-F37 HydrophobicContact CG2-CZ 3.49Å; I29-F37 VanDerWaalsContact CG2-CZ 3.49Å |
| 30 | L | 70.4 | Confident | 64.4 | Low | 140 Ų | 140 | 122.3 Ų | 122.3 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -41.7 | -174.7 | -97.1 | 160.8 | 0 | 0 | 0 | 113.7 | L27 K32 | L27-L30 HydrophobicContact CD2-CD1 4.32Å; L27-L30 PolarHBondContact O-N 3.28Å; L27-L30 VanDerWaalsContact O-N 3.16Å; L30-K32 PolarHBondContact O-N 2.99Å |
| 31 | N | 72.8 | Confident | 65.6 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 15.2 | -178.7 | -60.3 | -4.7 | 0 | 0 | 0 | 112.7 | I29 | I29-N31 PolarHBondContact O-N 2.97Š|
| 32 | K | 75.9 | Confident | 65.9 | Low | 82 Ų | 82 | 119.7 Ų | 119.7 | 36% | 0.357 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -117.6 | 103.3 | -173.2 | -88.7 | 50.9 | 156.9 | -155 | 0 | 106.7 | R28 I29 L30 Y36 | R28-K32 WeakPolarHBondContact O-CD 3.49Å; R28-K32 WeakPolarHBondContact O-CE 3.48Å; R28-K32 PolarHBondContact O-NZ 3.46Å; I29-K32 WeakPolarHBondContact O-CB 3.41Å; I29-K32 PolarHBondContact O-N 3.46Å; I29-K32 VanDerWaalsContact O-N 3.09Å; L30-K32 PolarHBondContact O-N 2.99Å; K32-Y36 HydrophobicContact CB-CD1 4.28Å; K32-Y36 HydrophobicContact CB-CD2 3.72Å; K32-Y36 HydrophobicContact CB-CE2 4.43Å; K32-Y36 HydrophobicContact CB-CG 3.64Å; K32-Y36 HydrophobicContact CG-CD2 3.45Å; K32-Y36 VanDerWaalsContact CG-CD2 3.45Å; K32-Y36 HydrophobicContact CG-CE2 3.91Å; K32-Y36 HydrophobicContact CG-CG 3.95Å |
| 33 | G | 81 | Confident | 66.3 | Low | 46 Ų | 46 | 120 Ų | 120 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | trans | -58.1 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D35 Y36 | G33-D35 PolarHBondContact O-N 3.46Å; G33-Y36 VanDerWaalsContact O-CB 3.3Å; G33-Y36 WeakPolarHBondContact O-CB 3.09Å; G33-Y36 PolarHBondContact O-N 3.43Å | ||
| 34 | P | 75.3 | Confident | 66.2 | Low | 105 Ų | 105 | 118 Ų | 118 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -26.5 | -171.7 | 19.8 | -32.6 | 0 | 0 | 0 | 114.5 | Y36 F37 R38 | P34-Y36 PolarHBondContact O-N 3.09Å; P34-F37 PolarHBondContact O-N 3.25Å; P34-R38 PolarHBondContact O-N 2.98Å |
| 35 | D | 74.4 | Confident | 66.6 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63 | -20.7 | 174.9 | -53.8 | -67.1 | 0 | 0 | 0 | 114.5 | G33 F37 R38 R39 | G33-D35 PolarHBondContact O-N 3.46Å; D35-F37 VanDerWaalsContact C-N 3.31Å; D35-F37 PolarHBondContact O-N 3.07Å; D35-R38 CarbonylContact O-C 3.46Å; D35-R38 PolarHBondContact O-N 3.29Å; D35-R39 PolarHBondContact O-N 3.3Å |
| 36 | Y | 71.4 | Confident | 67.2 | Low | 91 Ų | 91 | 125.6 Ų | 125.6 | 36% | 0.357 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.5 | -36.1 | 176 | -178.6 | -93.8 | 0 | 0 | 0 | 112.5 | I29 K32 G33 P34 | I29-Y36 HydrophobicContact CG1-CE1 4.26Å; K32-Y36 HydrophobicContact CB-CD1 4.28Å; K32-Y36 HydrophobicContact CB-CD2 3.72Å; K32-Y36 HydrophobicContact CB-CE2 4.43Å; K32-Y36 HydrophobicContact CB-CG 3.64Å; K32-Y36 HydrophobicContact CG-CD2 3.45Å; K32-Y36 VanDerWaalsContact CG-CD2 3.45Å; K32-Y36 HydrophobicContact CG-CE2 3.91Å; K32-Y36 HydrophobicContact CG-CG 3.95Å; G33-Y36 VanDerWaalsContact O-CB 3.3Å; G33-Y36 WeakPolarHBondContact O-CB 3.09Å; G33-Y36 PolarHBondContact O-N 3.43Å; P34-Y36 PolarHBondContact O-N 3.09Å |
| 37 | F | 73.3 | Confident | 68.1 | Low | 152 Ų | 152 | 128.4 Ų | 128.4 | 67% | 0.667 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.3 | -22.3 | 173.7 | -58.5 | -82.1 | 0 | 0 | 0 | 112.4 | I29 P34 D35 | I29-F37 HydrophobicContact CG2-CE1 4.27Å; I29-F37 HydrophobicContact CG2-CE2 4.17Å; I29-F37 HydrophobicContact CG2-CZ 3.49Å; I29-F37 VanDerWaalsContact CG2-CZ 3.49Å; P34-F37 PolarHBondContact O-N 3.25Å; D35-F37 VanDerWaalsContact C-N 3.31Å; D35-F37 PolarHBondContact O-N 3.07Å |
| 38 | R | 72.7 | Confident | 69.1 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -81.7 | -18.6 | 176.2 | -167.7 | 177.4 | -71 | -166.8 | -0.6 | 113.2 | P34 D35 Q40 | P34-R38 PolarHBondContact O-N 2.98Å; D35-R38 CarbonylContact O-C 3.46Å; D35-R38 PolarHBondContact O-N 3.29Å; R38-Q40 VanDerWaalsContact C-N 3.27Å; R38-Q40 PolarHBondContact O-N 3.45Å |
| 39 | R | 65.7 | Low | 70.1 | Confident | 172 Ų | 172 | 123.1 Ų | 123.1 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | -62.6 | 90.7 | 168.7 | -88.8 | -168.1 | -76.5 | -115.2 | -5.5 | 110.1 | D35 A41 | D35-R39 PolarHBondContact O-N 3.3Å; R39-A41 PolarHBondContact O-N 2.81Å | ||
| 40 | Q | 61.1 | Low | 71.1 | Confident | 168 Ų | 168 | 122.5 Ų | 122.5 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | -37.6 | 137.2 | 145.6 | -78.6 | -77.7 | -48.6 | 0 | 0 | 108.3 | R38 E42 | R38-Q40 VanDerWaalsContact C-N 3.27Å; R38-Q40 PolarHBondContact O-N 3.45Å; Q40-E42 VanDerWaalsContact C-N 3.28Å; Q40-E42 PolarHBondContact O-N 3.09Å | ||
| 41 | A | 62.3 | Low | 71.9 | Confident | 96 Ų | 96 | 120.2 Ų | 120.2 | 79% | 0.793 | 62% | 0.624 | S | S | * | * | trans | -66.4 | 93.7 | 178 | 0 | 0 | 0 | 0 | 0 | 108.5 | R39 P43 | R39-A41 PolarHBondContact O-N 2.81Å; A41-P43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | E | 61.9 | Low | 72.5 | Confident | 160 Ų | 160 | 117.8 Ų | 117.8 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | trans | -41.5 | 122.1 | 172.1 | -91.9 | -63.9 | 141.9 | 0 | 0 | 108.7 | Q40 N44 | Q40-E42 VanDerWaalsContact C-N 3.28Å; Q40-E42 PolarHBondContact O-N 3.09Å; E42-N44 PolarHBondContact O-N 3.3Å | ||
| 43 | P | 59.2 | Low | 73.2 | Confident | 109 Ų | 109 | 119.9 Ų | 119.9 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | trans | -55.2 | 101.6 | -176.5 | -26.2 | 34.5 | 0 | 0 | 0 | 109.4 | A41 P45 | A41-P43 VanDerWaalsContact O-N 3.17Å; P43-P45 VanDerWaalsContact O-CD 3.23Å; P43-P45 WeakPolarHBondContact O-CD 3.4Å | ||
| 44 | N | 60.5 | Low | 73.5 | Confident | 75 Ų | 75 | 123.9 Ų | 123.9 | 40% | 0.401 | 62% | 0.624 | S | S | . | * | trans | -64.4 | 116 | -172.5 | -178.8 | -40.3 | 0 | 0 | 0 | 107.1 | E42 K46 R47 | E42-N44 PolarHBondContact O-N 3.3Å; N44-K46 PolarHBondContact O-N 2.88Å; N44-K46 WeakPolarHBondContact OD1-CB 3.3Å; N44-K46 PolarHBondContact OD1-N 3.36Å; N44-K46 VanDerWaalsContact OD1-N 3.08Å; N44-R47 HydrophobicContact CB-CB 4.27Å; N44-R47 HydrophobicContact CB-CG 4.34Å; N44-R47 PolarHBondContact O-N 2.99Å | ||
| 45 | P | 62.9 | Low | 74.1 | Confident | 129 Ų | 129 | 123.1 Ų | 123.1 | 84% | 0.838 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -4 | -169.8 | 26.4 | -35.5 | 0 | 0 | 0 | 113.1 | P43 | P43-P45 VanDerWaalsContact O-CD 3.23Å; P43-P45 WeakPolarHBondContact O-CD 3.4Å |
| 46 | K | 66.2 | Low | 74.7 | Confident | 192 Ų | 192 | 121.7 Ų | 121.7 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -0.9 | 175.8 | -53.4 | 171.4 | -178.8 | 178.2 | 0 | 112.7 | N44 | N44-K46 PolarHBondContact O-N 2.88Å; N44-K46 WeakPolarHBondContact OD1-CB 3.3Å; N44-K46 PolarHBondContact OD1-N 3.36Å; N44-K46 VanDerWaalsContact OD1-N 3.08Å |
| 47 | R | 76.3 | Confident | 75.7 | Confident | 180 Ų | 180 | 120.4 Ų | 120.4 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -123.2 | 92 | 180 | -68.8 | -175.6 | 63.8 | 163.6 | 0.2 | 110.1 | N44 S49 | N44-R47 HydrophobicContact CB-CB 4.27Å; N44-R47 HydrophobicContact CB-CG 4.34Å; N44-R47 PolarHBondContact O-N 2.99Å; R47-S49 PolarHBondContact O-N 2.96Å |
| 48 | L | 78.4 | Confident | 76.7 | Confident | 102 Ų | 102 | 115.5 Ų | 115.5 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | trans | -48.9 | 137 | 168.8 | -62.3 | 176.3 | 0 | 0 | 0 | 111.1 | E52 R53 | L48-E52 VanDerWaalsContact CA-OE2 3.26Å; L48-E52 WeakPolarHBondContact CA-OE2 3.24Å; L48-E52 HydrophobicContact CB-CB 4.19Å; L48-E52 HydrophobicContact CD2-CB 4.47Å; L48-R53 HydrophobicContact CB-CG 4.04Å; L48-R53 PolarHBondContact O-NE 3.16Å; L48-R53 PolarHBondContact O-NH2 3.37Å | ||
| 49 | S | 84.3 | Confident | 77.3 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | trans | -56.6 | 157.1 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | R47 V51 E52 R53 | R47-S49 PolarHBondContact O-N 2.96Å; S49-V51 PolarHBondContact O-N 3.37Å; S49-V51 PolarHBondContact OG-N 3.21Å; S49-E52 WeakPolarHBondContact CB-OE2 3.01Å; S49-E52 PolarHBondContact N-OE2 3.02Å; S49-E52 PolarHBondContact O-N 3.31Å; S49-R53 VanDerWaalsContact O-CG 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.4Å; S49-R53 PolarHBondContact O-N 3.4Å | ||
| 50 | A | 87.3 | Confident | 78.6 | Confident | 68 Ų | 68 | 108.1 Ų | 108.1 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57 | -37.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | R53 L54 | A50-R53 PolarHBondContact O-N 2.95Å; A50-L54 WeakPolarHBondContact O-CB 3Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3.48Å |
| 51 | V | 86.3 | Confident | 79.9 | Confident | 92 Ų | 92 | 109.2 Ų | 109.2 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -47.8 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | S49 R53 L54 E55 | S49-V51 PolarHBondContact O-N 3.37Å; S49-V51 PolarHBondContact OG-N 3.21Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.08Å; V51-L54 PolarHBondContact O-N 2.97Å; V51-E55 PolarHBondContact O-N 3.06Å |
| 52 | E | 86.9 | Confident | 81.4 | Confident | 97 Ų | 97 | 106.9 Ų | 106.9 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -35.8 | 179.6 | -66.5 | 169.7 | 153.9 | 0 | 0 | 112.2 | L48 S49 A56 | L48-E52 VanDerWaalsContact CA-OE2 3.26Å; L48-E52 WeakPolarHBondContact CA-OE2 3.24Å; L48-E52 HydrophobicContact CB-CB 4.19Å; L48-E52 HydrophobicContact CD2-CB 4.47Å; S49-E52 WeakPolarHBondContact CB-OE2 3.01Å; S49-E52 PolarHBondContact N-OE2 3.02Å; S49-E52 PolarHBondContact O-N 3.31Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 2.94Å |
| 53 | R | 90.6 | Very high | 82.8 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 48% | 0.475 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -45.1 | 173.5 | -67.2 | 168.4 | -170.2 | -142.7 | -7.6 | 111.8 | L48 S49 A50 V51 E55 A56 D57 | L48-R53 HydrophobicContact CB-CG 4.04Å; L48-R53 PolarHBondContact O-NE 3.16Å; L48-R53 PolarHBondContact O-NH2 3.37Å; S49-R53 VanDerWaalsContact O-CG 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.4Å; S49-R53 PolarHBondContact O-N 3.4Å; A50-R53 PolarHBondContact O-N 2.95Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.08Å; R53-E55 VanDerWaalsContact C-N 3.3Å; R53-E55 PolarHBondContact O-N 3.48Å; R53-A56 PolarHBondContact O-N 2.85Å; R53-D57 PolarHBondContact O-N 2.98Å |
| 54 | L | 87 | Confident | 84.3 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 68% | 0.681 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -35.4 | 177.2 | -72.9 | 169.6 | 0 | 0 | 0 | 111.8 | A50 V51 K58 | A50-L54 WeakPolarHBondContact O-CB 3Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 2.97Å; L54-K58 WeakPolarHBondContact O-CB 3.49Å; L54-K58 PolarHBondContact O-N 3.02Å; L54-K58 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 87.3 | Confident | 85.4 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 172.6 | -170.8 | 175.1 | 176.8 | 0 | 0 | 111.7 | V51 R53 D57 K58 K71 | V51-E55 PolarHBondContact O-N 3.06Å; R53-E55 VanDerWaalsContact C-N 3.3Å; R53-E55 PolarHBondContact O-N 3.48Å; E55-D57 PolarHBondContact O-N 2.92Å; E55-K58 VanDerWaalsContact O-CB 3.29Å; E55-K58 WeakPolarHBondContact O-CB 3.48Å; E55-K58 PolarHBondContact O-N 3.37Å; E55-K71 WeakPolarHBondContact OE1-CE 3.44Å; E55-K71 IonicContact OE1-NZ 2.74Å; E55-K71 PolarHBondContact OE1-NZ 3.02Å; E55-K71 IonicContact OE2-NZ 2.76Å |
| 56 | A | 87.4 | Confident | 86.5 | Confident | 69 Ų | 69 | 110.2 Ų | 110.2 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.5 | -37.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E52 R53 | E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 2.94Å; R53-A56 PolarHBondContact O-N 2.85Å |
| 57 | D | 92.6 | Very high | 87.3 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 34% | 0.342 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -85.7 | -8.9 | -179.9 | -76.9 | -22.3 | 0 | 0 | 0 | 113.8 | R53 E55 A59 K60 Y61 | R53-D57 PolarHBondContact O-N 2.98Å; E55-D57 PolarHBondContact O-N 2.92Å; D57-A59 VanDerWaalsContact C-N 3.29Å; D57-A59 PolarHBondContact O-N 3.38Å; D57-K60 HydrophobicContact CB-CD 4.37Å; D57-K60 VanDerWaalsContact O-CB 3.31Å; D57-K60 WeakPolarHBondContact O-CB 3.2Å; D57-K60 PolarHBondContact O-N 3.48Å; D57-K60 VanDerWaalsContact OD1-CE 3.31Å; D57-K60 WeakPolarHBondContact OD1-CE 3.24Å; D57-K60 IonicContact OD1-NZ 3.19Å; D57-K60 PolarHBondContact OD1-NZ 2.86Å; D57-Y61 HydrophobicContact CB-CE2 4.4Å; D57-Y61 WeakPolarHBondContact O-CD2 3.37Å |
| 58 | K | 93.1 | Very high | 87.5 | Confident | 48 Ų | 48 | 98 Ų | 98 | 21% | 0.209 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -54.8 | -41.7 | -174.5 | -151.3 | 176.6 | 175.4 | -164.3 | 0 | 113.3 | L54 E55 K60 Y61 V62 V67 I68 A70 | L54-K58 WeakPolarHBondContact O-CB 3.49Å; L54-K58 PolarHBondContact O-N 3.02Å; L54-K58 VanDerWaalsContact O-N 3.16Å; E55-K58 VanDerWaalsContact O-CB 3.29Å; E55-K58 WeakPolarHBondContact O-CB 3.48Å; E55-K58 PolarHBondContact O-N 3.37Å; K58-K60 PolarHBondContact O-N 2.78Å; K58-Y61 PolarHBondContact O-N 3.23Å; K58-V62 HydrophobicContact CG-CG2 4.01Å; K58-V62 WeakPolarHBondContact O-CB 3.4Å; K58-V62 PolarHBondContact O-N 2.91Å; K58-V67 WeakPolarHBondContact CE-O 3.45Å; K58-V67 PolarHBondContact NZ-O 3.09Å; K58-I68 HydrophobicContact CD-CB 4.44Å; K58-I68 HydrophobicContact CG-CG2 4.17Å; K58-I68 PolarHBondContact NZ-O 2.98Å; K58-A70 PolarHBondContact NZ-O 3.07Å |
| 59 | A | 87.1 | Confident | 87.7 | Confident | 73 Ų | 73 | 98.2 Ų | 98.2 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -13.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D57 | D57-A59 VanDerWaalsContact C-N 3.29Å; D57-A59 PolarHBondContact O-N 3.38Å |
| 60 | K | 91.4 | Very high | 87.7 | Confident | 143 Ų | 143 | 98.3 Ų | 98.3 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -82.3 | -26.6 | 175.6 | -60.2 | 173 | 179.5 | 168.9 | 0 | 112.8 | D57 K58 | D57-K60 HydrophobicContact CB-CD 4.37Å; D57-K60 VanDerWaalsContact O-CB 3.31Å; D57-K60 WeakPolarHBondContact O-CB 3.2Å; D57-K60 PolarHBondContact O-N 3.48Å; D57-K60 VanDerWaalsContact OD1-CE 3.31Å; D57-K60 WeakPolarHBondContact OD1-CE 3.24Å; D57-K60 IonicContact OD1-NZ 3.19Å; D57-K60 PolarHBondContact OD1-NZ 2.86Å; K58-K60 PolarHBondContact O-N 2.78Å |
| 61 | Y | 89.6 | Confident | 87.2 | Confident | 192 Ų | 192 | 101.7 Ų | 101.7 | 75% | 0.753 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -121.8 | -15.6 | -168.3 | -60.3 | -71.3 | 0 | 0 | 0 | 114 | D57 K58 | D57-Y61 HydrophobicContact CB-CE2 4.4Å; D57-Y61 WeakPolarHBondContact O-CD2 3.37Å; K58-Y61 PolarHBondContact O-N 3.23Å |
| 62 | V | 92.4 | Very high | 86.6 | Confident | 46 Ų | 46 | 105.7 Ų | 105.7 | 28% | 0.279 | 53% | 0.531 | S | S | . | . | trans | -110.6 | 120.8 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 110 | K58 V67 I68 | K58-V62 HydrophobicContact CG-CG2 4.01Å; K58-V62 WeakPolarHBondContact O-CB 3.4Å; K58-V62 PolarHBondContact O-N 2.91Å; V62-V67 HydrophobicContact CG1-CB 3.61Å; V62-V67 HydrophobicContact CG1-CG1 3.55Å; V62-I68 HydrophobicContact CB-CG2 3.55Å; V62-I68 HydrophobicContact CG1-CG2 3.57Å | ||
| 63 | K | 91.8 | Very high | 85.9 | Confident | 217 Ų | 217 | 107.4 Ų | 107.4 | 94% | 0.943 | 54% | 0.539 | S | S | * | . | trans | -85.7 | -14.5 | -174.2 | -165.9 | 174.6 | 179.2 | -178.2 | 0 | 114.7 | ||||
| 64 | S | 90 | Very high | 84.9 | Confident | 48 Ų | 48 | 106.2 Ų | 106.2 | 34% | 0.336 | 55% | 0.548 | S | S | . | . | trans | -99.2 | 130 | -179.8 | 173 | 0 | 0 | 0 | 0 | 112 | E66 V67 I68 | S64-E66 VanDerWaalsContact C-N 3.32Å; S64-E66 PolarHBondContact O-N 3.42Å; S64-E66 PolarHBondContact OG-N 3.26Å; S64-V67 PolarHBondContact O-N 3.2Å; S64-I68 PolarHBondContact O-N 3.46Å; S64-I68 VanDerWaalsContact O-N 3.08Å | ||
| 65 | Q | 84.2 | Confident | 84 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -38 | 178.8 | -172.2 | 63.7 | 49.7 | 0 | 0 | 112.5 | I68 N69 | Q65-I68 WeakPolarHBondContact O-CG1 3.34Å; Q65-I68 PolarHBondContact O-N 2.93Å; Q65-N69 PolarHBondContact NE2-OD1 3.48Å; Q65-N69 WeakPolarHBondContact O-CB 3.32Å; Q65-N69 VanDerWaalsContact O-CG 3.24Å; Q65-N69 PolarHBondContact O-N 2.95Å; Q65-N69 PolarHBondContact O-OD1 3.39Å |
| 66 | E | 86.6 | Confident | 82.9 | Confident | 158 Ų | 158 | 110.5 Ų | 110.5 | 74% | 0.738 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -44.7 | 178.8 | -62.4 | 171.5 | 170.8 | 0 | 0 | 110.6 | S64 I68 N69 A70 | S64-E66 VanDerWaalsContact C-N 3.32Å; S64-E66 PolarHBondContact O-N 3.42Å; S64-E66 PolarHBondContact OG-N 3.26Å; E66-I68 PolarHBondContact O-N 3.33Å; E66-N69 PolarHBondContact O-N 3.44Å; E66-A70 PolarHBondContact O-N 3.38Å; E66-A70 VanDerWaalsContact O-N 3.13Å |
| 67 | V | 82.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 112.5 Ų | 112.5 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68 | -36.4 | -180 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | K58 V62 S64 | K58-V67 WeakPolarHBondContact CE-O 3.45Å; K58-V67 PolarHBondContact NZ-O 3.09Å; V62-V67 HydrophobicContact CG1-CB 3.61Å; V62-V67 HydrophobicContact CG1-CG1 3.55Å; S64-V67 PolarHBondContact O-N 3.2Å |
| 68 | I | 81 | Confident | 79.4 | Confident | 38 Ų | 38 | 114 Ų | 114 | 20% | 0.195 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -68.9 | -38.6 | 174.4 | 63 | 178.8 | 0 | 0 | 0 | 112.9 | K58 V62 S64 Q65 E66 A70 | K58-I68 HydrophobicContact CD-CB 4.44Å; K58-I68 HydrophobicContact CG-CG2 4.17Å; K58-I68 PolarHBondContact NZ-O 2.98Å; V62-I68 HydrophobicContact CB-CG2 3.55Å; V62-I68 HydrophobicContact CG1-CG2 3.57Å; S64-I68 PolarHBondContact O-N 3.46Å; S64-I68 VanDerWaalsContact O-N 3.08Å; Q65-I68 WeakPolarHBondContact O-CG1 3.34Å; Q65-I68 PolarHBondContact O-N 2.93Å; E66-I68 PolarHBondContact O-N 3.33Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.35Å |
| 69 | N | 82.1 | Confident | 77.5 | Confident | 107 Ų | 107 | 118.2 Ų | 118.2 | 57% | 0.572 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.4 | -25.1 | 179.5 | -70.2 | -4.8 | 0 | 0 | 0 | 113.4 | Q65 E66 K71 | Q65-N69 PolarHBondContact NE2-OD1 3.48Å; Q65-N69 WeakPolarHBondContact O-CB 3.32Å; Q65-N69 VanDerWaalsContact O-CG 3.24Å; Q65-N69 PolarHBondContact O-N 2.95Å; Q65-N69 PolarHBondContact O-OD1 3.39Å; E66-N69 PolarHBondContact O-N 3.44Å; N69-K71 PolarHBondContact O-N 2.91Å; N69-K71 VanDerWaalsContact O-N 3.07Å |
| 70 | A | 83.9 | Confident | 75.8 | Confident | 62 Ų | 62 | 122.5 Ų | 122.5 | 51% | 0.512 | 64% | 0.641 | S | S | . | * | trans | -69.1 | 99.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K58 E66 I68 | K58-A70 PolarHBondContact NZ-O 3.07Å; E66-A70 PolarHBondContact O-N 3.38Å; E66-A70 VanDerWaalsContact O-N 3.13Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.35Å | ||
| 71 | K | 78 | Confident | 73.6 | Confident | 139 Ų | 139 | 119.6 Ų | 119.6 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | trans | -74.9 | 140 | 174 | -58.4 | -160.7 | -174.7 | -146 | 0 | 111 | E55 N69 E73 | E55-K71 WeakPolarHBondContact OE1-CE 3.44Å; E55-K71 IonicContact OE1-NZ 2.74Å; E55-K71 PolarHBondContact OE1-NZ 3.02Å; E55-K71 IonicContact OE2-NZ 2.76Å; N69-K71 PolarHBondContact O-N 2.91Å; N69-K71 VanDerWaalsContact O-N 3.07Å; K71-E73 PolarHBondContact O-N 2.83Å | ||
| 72 | Q | 72.6 | Confident | 71.7 | Confident | 176 Ų | 176 | 120 Ų | 120 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | trans | -84.3 | 103.3 | 171.8 | -173.2 | 174.3 | 17.6 | 0 | 0 | 108.8 | ||||
| 73 | E | 72.8 | Confident | 69.3 | Low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 67% | 0.669 | S | S | * | * | trans | -62.2 | 132.5 | 171.7 | -73.7 | -61.8 | 130.6 | 0 | 0 | 110.1 | K71 V75 | K71-E73 PolarHBondContact O-N 2.83Å; E73-V75 PolarHBondContact O-N 3.1Å | ||
| 74 | P | 70.6 | Confident | 67.1 | Low | 101 Ų | 101 | 118.5 Ų | 118.5 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | trans | -57.2 | 127.9 | 171.1 | -23.6 | 33.8 | 0 | 0 | 0 | 110 | K76 | P74-K76 PolarHBondContact O-N 3.43Š| ||
| 75 | V | 67.4 | Low | 64.8 | Low | 137 Ų | 137 | 123.1 Ų | 123.1 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | trans | -62.8 | 99.2 | 174.1 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | E73 P77 | E73-V75 PolarHBondContact O-N 3.1Å; V75-P77 VanDerWaalsContact O-CD 3.25Å; V75-P77 WeakPolarHBondContact O-CD 3.32Å; V75-P77 VanDerWaalsContact O-N 3.15Å | ||
| 76 | K | 63.3 | Low | 62.3 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | -62.9 | 114.3 | 176.5 | -65.7 | 175.2 | -174.2 | 170.4 | 0 | 107 | P74 A78 | P74-K76 PolarHBondContact O-N 3.43Å; K76-A78 PolarHBondContact O-N 3.29Å | ||
| 77 | P | 51.3 | Low | 60.1 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | trans | -61.4 | 126.1 | 173.6 | 26.2 | -32.5 | 0 | 0 | 0 | 107.4 | V75 V79 | V75-P77 VanDerWaalsContact O-CD 3.25Å; V75-P77 WeakPolarHBondContact O-CD 3.32Å; V75-P77 VanDerWaalsContact O-N 3.15Å; P77-V79 PolarHBondContact O-N 3.05Å | ||
| 78 | A | 56.8 | Low | 57.9 | Low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -59.9 | 108.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | K76 L80 | K76-A78 PolarHBondContact O-N 3.29Å; A78-L80 VanDerWaalsContact C-N 3.29Å; A78-L80 PolarHBondContact O-N 3.44Å | ||
| 79 | V | 52.6 | Low | 55.8 | Low | 135 Ų | 135 | 125.9 Ų | 125.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -67.8 | 95.8 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | P77 A81 | P77-V79 PolarHBondContact O-N 3.05Å; V79-A81 VanDerWaalsContact C-N 3.27Å; V79-A81 PolarHBondContact O-N 3.15Å | ||
| 80 | L | 50.5 | Low | 53.9 | Low | 164 Ų | 164 | 130.3 Ų | 130.3 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -62.9 | 92.1 | 173.4 | -172.5 | 78.6 | 0 | 0 | 0 | 107.8 | A78 K82 | A78-L80 VanDerWaalsContact C-N 3.29Å; A78-L80 PolarHBondContact O-N 3.44Å; L80-K82 PolarHBondContact O-N 3.49Å | ||
| 81 | A | 46.8 | Very low | 51.7 | Low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 129.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V79 P83 | V79-A81 VanDerWaalsContact C-N 3.27Å; V79-A81 PolarHBondContact O-N 3.15Å; A81-P83 WeakPolarHBondContact O-CD 3.45Å |
| 82 | K | 47.8 | Very low | 49.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 126 | 178.9 | -65.3 | -178 | 177.7 | -177.7 | 0 | 109.5 | L80 | L80-K82 PolarHBondContact O-N 3.49Š|
| 83 | P | 43.7 | Very low | 48.2 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.1 | 164.5 | 29.2 | -32.5 | 0 | 0 | 0 | 109.4 | A81 | A81-P83 WeakPolarHBondContact O-CD 3.45Š|
| 84 | P | 45.1 | Very low | 46.5 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.3 | 178.6 | 28.1 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 85 | V | 40.8 | Very low | 45 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.2 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 86 | C | 31.7 | Very low | 44 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -135.7 | 150.3 | 162.5 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 87 | P | 40 | Very low | 42.8 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -87.4 | 170 | -160.8 | 34.7 | -37.3 | 0 | 0 | 0 | 115.6 | ||||
| 88 | A | 36.6 | Very low | 42.6 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | -70.8 | 145.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 89 | A | 38 | Very low | 41.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -146.6 | 103.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 90 | K | 41.2 | Very low | 41.3 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | 26.6 | 119.4 | 148.7 | -52.6 | -174.4 | -175.7 | -178.9 | 0 | 121.6 | ||||
| 91 | R | 39 | Very low | 40.7 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | 6.5 | 130 | 145.1 | -64.6 | -177.2 | -76.3 | 158.9 | -5.9 | 119.7 | ||||
| 92 | A | 35.5 | Very low | 40.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -149.7 | 156.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 93 | L | 40.3 | Very low | 40 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | trans | -106.6 | 138.3 | -172.3 | 170.7 | 69.8 | 0 | 0 | 0 | 110.6 | ||||
| 94 | G | 36.4 | Very low | 39.9 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 167.6 | 123.1 | 171 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 95 | S | 40.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 162 | -176.3 | -62.4 | 0 | 0 | 0 | 0 | 119.5 | ||
| 96 | P | 46.2 | Very low | 39.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 143.1 | -173 | 33.5 | -36.6 | 0 | 0 | 0 | 113.8 | ||
| 97 | T | 36.9 | Very low | 40.2 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 122 | 168.9 | 14.4 | 0 | 0 | 0 | 0 | 111 | K99 | T97-K99 PolarHBondContact O-N 3.38Š|
| 98 | L | 48.1 | Very low | 40.4 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 126.1 | 170.1 | -67.5 | 169.4 | 0 | 0 | 0 | 110.1 | ||
| 99 | K | 42.5 | Very low | 41 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | trans | -131 | 96.7 | 163.1 | -71.8 | -164.5 | 176.4 | -175.1 | 0 | 110.3 | T97 F101 | T97-K99 PolarHBondContact O-N 3.38Å; K99-F101 HydrophobicContact CB-CD2 4.47Å; K99-F101 HydrophobicContact CB-CE2 4.33Å; K99-F101 PolarHBondContact O-N 2.83Å | ||
| 100 | V | 38.3 | Very low | 41.5 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -67.4 | 121.5 | 166.5 | 173.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 101 | F | 39.3 | Very low | 42.1 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -121.9 | 98 | 160.9 | -82.7 | -76.8 | 0 | 0 | 0 | 108.4 | K99 | K99-F101 HydrophobicContact CB-CD2 4.47Å; K99-F101 HydrophobicContact CB-CE2 4.33Å; K99-F101 PolarHBondContact O-N 2.83Å | ||
| 102 | G | 39.8 | Very low | 42.8 | Very low | 53 Ų | 53 | 134.1 Ų | 134.1 | 55% | 0.546 | 78% | 0.784 | S | S | . | * | trans | -86.2 | 113.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 103 | N | 40.4 | Very low | 43.8 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -116.4 | 111 | 169.2 | -75.4 | -31.5 | 0 | 0 | 0 | 109.1 | ||||
| 104 | H | 40.8 | Very low | 45.1 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -97.5 | 97.7 | -179.1 | 29.5 | -92.1 | 0 | 0 | 0 | 109.5 | ||||
| 105 | A | 39.1 | Very low | 46.5 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -100.4 | 128.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 106 | K | 45.5 | Very low | 47.9 | Very low | 209 Ų | 209 | 135.2 Ų | 135.2 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -76.9 | 122.4 | -172.2 | -61.7 | 174.3 | 177.6 | -179.2 | 0 | 111.7 | ||||
| 107 | T | 39.3 | Very low | 49.5 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | trans | -140 | 121.9 | 150.6 | -54.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 108 | E | 45.2 | Very low | 51.8 | Low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | trans | -73 | 170.2 | 178.3 | -65.9 | 179.6 | 127.8 | 0 | 0 | 111.9 | ||||
| 109 | S | 48.7 | Very low | 53.5 | Low | 129 Ų | 129 | 132.4 Ų | 132.4 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 83.1 | 25.2 | 173.7 | 100.1 | 0 | 0 | 0 | 0 | 119.9 | ||
| 110 | G | 47.9 | Very low | 55.5 | Low | 37 Ų | 37 | 129 Ų | 129 | 38% | 0.381 | 68% | 0.681 | S | S | . | * | trans | -114.4 | -26.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q112 R113 | G110-Q112 PolarHBondContact O-N 3.41Å; G110-Q112 VanDerWaalsContact O-N 3.11Å; G110-R113 PolarHBondContact O-N 2.97Å; G110-R113 VanDerWaalsContact O-N 3.15Å | ||
| 111 | V | 53.3 | Low | 57.7 | Low | 93 Ų | 93 | 126.8 Ų | 126.8 | 56% | 0.564 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59 | -36.2 | -151.7 | -173.5 | 0 | 0 | 0 | 0 | 116 | R113 E114 N115 | V111-R113 PolarHBondContact O-N 2.94Å; V111-E114 WeakPolarHBondContact CA-OE1 3.22Å; V111-E114 WeakPolarHBondContact O-CG 3.2Å; V111-N115 WeakPolarHBondContact O-CB 3.4Å; V111-N115 PolarHBondContact O-N 3.22Å; V111-N115 VanDerWaalsContact O-N 3.13Å |
| 112 | Q | 53.9 | Low | 59.7 | Low | 156 Ų | 156 | 124.9 Ų | 124.9 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.8 | -44.3 | 180 | -76.6 | -90.6 | 5.3 | 0 | 0 | 112.5 | G110 L116 | G110-Q112 PolarHBondContact O-N 3.41Å; G110-Q112 VanDerWaalsContact O-N 3.11Å; Q112-L116 WeakPolarHBondContact O-CD1 3.37Å; Q112-L116 VanDerWaalsContact O-CG 3.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.36Å; Q112-L116 PolarHBondContact O-N 3.04Å; Q112-L116 VanDerWaalsContact O-N 3.17Å |
| 113 | R | 57.8 | Low | 61.7 | Low | 214 Ų | 214 | 126.2 Ų | 126.2 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -33.2 | -170.8 | -163.3 | 179.6 | -173 | 92.6 | -0.2 | 112.5 | G110 V111 K117 | G110-R113 PolarHBondContact O-N 2.97Å; G110-R113 VanDerWaalsContact O-N 3.15Å; V111-R113 PolarHBondContact O-N 2.94Å; R113-K117 WeakPolarHBondContact O-CB 3.29Å; R113-K117 PolarHBondContact O-N 3.4Å; R113-K117 VanDerWaalsContact O-N 3.16Å |
| 114 | E | 66.9 | Low | 63.8 | Low | 107 Ų | 107 | 124 Ų | 124 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76.8 | -36.6 | 176.1 | 59 | -167.1 | -169.7 | 0 | 0 | 112.5 | V111 K117 L118 | V111-E114 WeakPolarHBondContact CA-OE1 3.22Å; V111-E114 WeakPolarHBondContact O-CG 3.2Å; E114-K117 PolarHBondContact O-N 3.34Å; E114-L118 WeakPolarHBondContact O-CG 3.23Å; E114-L118 PolarHBondContact O-N 3.46Å |
| 115 | N | 65.6 | Low | 65.7 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.4 | -53.3 | 171 | -111.6 | -92.4 | 0 | 0 | 0 | 111.3 | V111 K117 L118 E119 | V111-N115 WeakPolarHBondContact O-CB 3.4Å; V111-N115 PolarHBondContact O-N 3.22Å; V111-N115 VanDerWaalsContact O-N 3.13Å; N115-K117 VanDerWaalsContact C-N 3.26Å; N115-K117 PolarHBondContact O-N 3.38Å; N115-L118 PolarHBondContact O-N 2.77Å; N115-L118 VanDerWaalsContact O-N 3.09Å; N115-E119 WeakPolarHBondContact O-CB 3.4Å; N115-E119 PolarHBondContact O-N 2.78Å |
| 116 | L | 70.1 | Confident | 67.4 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.7 | -40.8 | 177.9 | -70.4 | 168.3 | 0 | 0 | 0 | 111.8 | Q112 E119 I120 | Q112-L116 WeakPolarHBondContact O-CD1 3.37Å; Q112-L116 VanDerWaalsContact O-CG 3.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.36Å; Q112-L116 PolarHBondContact O-N 3.04Å; Q112-L116 VanDerWaalsContact O-N 3.17Å; L116-E119 PolarHBondContact O-N 3.26Å; L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 VanDerWaalsContact O-CD1 3.32Å; L116-I120 WeakPolarHBondContact O-CD1 3.23Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.49Å |
| 117 | K | 80.5 | Confident | 68.2 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.6 | -41.8 | 177.4 | -171.7 | -179.1 | 179.5 | -173.5 | 0 | 112.3 | R113 E114 N115 L121 | R113-K117 WeakPolarHBondContact O-CB 3.29Å; R113-K117 PolarHBondContact O-N 3.4Å; R113-K117 VanDerWaalsContact O-N 3.16Å; E114-K117 PolarHBondContact O-N 3.34Å; N115-K117 VanDerWaalsContact C-N 3.26Å; N115-K117 PolarHBondContact O-N 3.38Å; K117-L121 HydrophobicContact CG-CD1 4.46Å; K117-L121 WeakPolarHBondContact O-CD1 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.38Å; K117-L121 PolarHBondContact O-N 2.78Å |
| 118 | L | 85.2 | Confident | 69.2 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.8 | -37.1 | 178.1 | -68.7 | 170.5 | 0 | 0 | 0 | 112.1 | E114 N115 L121 K122 | E114-L118 WeakPolarHBondContact O-CG 3.23Å; E114-L118 PolarHBondContact O-N 3.46Å; N115-L118 PolarHBondContact O-N 2.77Å; N115-L118 VanDerWaalsContact O-N 3.09Å; L118-L121 PolarHBondContact O-N 3.08Å; L118-K122 WeakPolarHBondContact O-CB 3.5Å; L118-K122 PolarHBondContact O-N 3.47Å |
| 119 | E | 82.8 | Confident | 69.8 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.5 | -43.6 | 176.2 | -175.4 | 172.6 | -155.1 | 0 | 0 | 112 | N115 L116 L121 K122 N123 | N115-E119 WeakPolarHBondContact O-CB 3.4Å; N115-E119 PolarHBondContact O-N 2.78Å; L116-E119 PolarHBondContact O-N 3.26Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 3.46Å; E119-K122 PolarHBondContact O-N 3.32Å; E119-N123 WeakPolarHBondContact O-CB 3.31Å; E119-N123 VanDerWaalsContact O-CG 3.27Å; E119-N123 PolarHBondContact O-N 3.26Å; E119-N123 PolarHBondContact O-ND2 2.98Å |
| 120 | I | 84.5 | Confident | 69.9 | Low | 101 Ų | 101 | 109.5 Ų | 109.5 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.7 | -47.8 | 172.8 | -70.5 | 163 | 0 | 0 | 0 | 110.5 | L116 N123 I124 | L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 VanDerWaalsContact O-CD1 3.32Å; L116-I120 WeakPolarHBondContact O-CD1 3.23Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.49Å; I120-N123 PolarHBondContact O-N 3.32Å; I120-I124 HydrophobicContact CG2-CD1 3.73Å; I120-I124 VanDerWaalsContact O-CG1 3.25Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; I120-I124 PolarHBondContact O-N 2.91Å |
| 121 | L | 86.1 | Confident | 69.6 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 178.5 | -70.8 | 168.7 | 0 | 0 | 0 | 112.1 | K117 L118 E119 N123 I124 I125 | K117-L121 HydrophobicContact CG-CD1 4.46Å; K117-L121 WeakPolarHBondContact O-CD1 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.38Å; K117-L121 PolarHBondContact O-N 2.78Å; L118-L121 PolarHBondContact O-N 3.08Å; E119-L121 VanDerWaalsContact C-N 3.35Å; E119-L121 PolarHBondContact O-N 3.46Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 2.92Å; L121-I124 PolarHBondContact O-N 2.95Å; L121-I125 WeakPolarHBondContact O-CD1 3.43Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.41Å |
| 122 | K | 81.5 | Confident | 69 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.1 | -43.4 | 175.7 | -177.1 | -176.1 | 177.6 | -171.8 | 0 | 111.8 | L118 E119 I125 N126 | L118-K122 WeakPolarHBondContact O-CB 3.5Å; L118-K122 PolarHBondContact O-N 3.47Å; E119-K122 PolarHBondContact O-N 3.32Å; K122-I125 PolarHBondContact O-N 3.39Å; K122-N126 WeakPolarHBondContact O-CB 3.46Å; K122-N126 PolarHBondContact O-N 2.98Å; K122-N126 PolarHBondContact O-ND2 3.45Å |
| 123 | N | 80.8 | Confident | 68.1 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 44% | 0.439 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | 179.2 | -71.2 | -16.9 | 0 | 0 | 0 | 111.7 | E119 I120 L121 I125 N126 S127 | E119-N123 WeakPolarHBondContact O-CB 3.31Å; E119-N123 VanDerWaalsContact O-CG 3.27Å; E119-N123 PolarHBondContact O-N 3.26Å; E119-N123 PolarHBondContact O-ND2 2.98Å; I120-N123 PolarHBondContact O-N 3.32Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 2.92Å; N123-I125 PolarHBondContact O-N 3.1Å; N123-N126 PolarHBondContact O-N 3.1Å; N123-S127 VanDerWaalsContact O-CB 3.31Å; N123-S127 WeakPolarHBondContact O-CB 3.19Å; N123-S127 PolarHBondContact O-N 2.87Å; N123-S127 PolarHBondContact O-OG 3.12Å; N123-S127 VanDerWaalsContact O-OG 3.11Å |
| 124 | I | 85.3 | Confident | 66.9 | Low | 106 Ų | 106 | 106.8 Ų | 106.8 | 54% | 0.544 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 175.3 | -68 | 164.9 | 0 | 0 | 0 | 111.2 | I120 L121 S127 S128 | I120-I124 HydrophobicContact CG2-CD1 3.73Å; I120-I124 VanDerWaalsContact O-CG1 3.25Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; I120-I124 PolarHBondContact O-N 2.91Å; L121-I124 PolarHBondContact O-N 2.95Å; I124-S127 PolarHBondContact O-N 3.28Å; I124-S128 WeakPolarHBondContact O-CB 3.06Å; I124-S128 PolarHBondContact O-N 3.43Å |
| 125 | I | 80 | Confident | 65.4 | Low | 99 Ų | 99 | 108 Ų | 108 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.9 | -49.9 | 177.9 | -67.2 | 163.8 | 0 | 0 | 0 | 110.3 | L121 K122 N123 S127 S128 E129 | L121-I125 WeakPolarHBondContact O-CD1 3.43Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.41Å; K122-I125 PolarHBondContact O-N 3.39Å; N123-I125 PolarHBondContact O-N 3.1Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.19Å; I125-S128 WeakPolarHBondContact O-CB 3.29Å; I125-S128 PolarHBondContact O-N 3.09Å; I125-E129 PolarHBondContact O-N 3.43Å |
| 126 | N | 74.8 | Confident | 63.9 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 52% | 0.519 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.4 | -31.5 | -180 | -67.5 | -14 | 0 | 0 | 0 | 113.3 | K122 N123 S128 | K122-N126 WeakPolarHBondContact O-CB 3.46Å; K122-N126 PolarHBondContact O-N 2.98Å; K122-N126 PolarHBondContact O-ND2 3.45Å; N123-N126 PolarHBondContact O-N 3.1Å; N126-S128 VanDerWaalsContact C-N 3.31Å |
| 127 | S | 61.3 | Low | 62.1 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.2 | -15.2 | 172.8 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | N123 I124 I125 | N123-S127 VanDerWaalsContact O-CB 3.31Å; N123-S127 WeakPolarHBondContact O-CB 3.19Å; N123-S127 PolarHBondContact O-N 2.87Å; N123-S127 PolarHBondContact O-OG 3.12Å; N123-S127 VanDerWaalsContact O-OG 3.11Å; I124-S127 PolarHBondContact O-N 3.28Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.19Å |
| 128 | S | 60.8 | Low | 60.2 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -87.1 | -20.1 | 176.9 | -168.4 | 0 | 0 | 0 | 0 | 113.4 | I124 I125 N126 | I124-S128 WeakPolarHBondContact O-CB 3.06Å; I124-S128 PolarHBondContact O-N 3.43Å; I125-S128 WeakPolarHBondContact O-CB 3.29Å; I125-S128 PolarHBondContact O-N 3.09Å; N126-S128 VanDerWaalsContact C-N 3.31Å |
| 129 | E | 58 | Low | 57.9 | Low | 170 Ų | 170 | 112.1 Ų | 112.1 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -104.3 | 61.7 | -179.5 | -66.5 | -168.3 | -167.2 | 0 | 0 | 111.6 | I125 | I125-E129 PolarHBondContact O-N 3.43Š|
| 130 | G | 50.8 | Low | 55.4 | Low | 61 Ų | 61 | 113.3 Ų | 113.3 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | -164.9 | 40.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 131 | S | 42.1 | Very low | 53.3 | Low | 133 Ų | 133 | 112.3 Ų | 112.3 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | trans | -156.3 | 85.8 | 167.1 | -82 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 132 | S | 39.9 | Very low | 50.9 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -132.5 | 122.2 | 162 | 167.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 133 | S | 36.1 | Very low | 48.7 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 90% | 0.895 | 72% | 0.716 | S | S | * | * | trans | 65.7 | 130.4 | 172.9 | -160.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 134 | G | 32.9 | Very low | 46.4 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | 121.7 | 77.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 135 | S | 34.5 | Very low | 44.4 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | trans | 51.5 | 122.3 | 134.9 | -161.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 136 | G | 33.4 | Very low | 42.6 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | 130.2 | 95.6 | 127.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 137 | H | 33 | Very low | 40.6 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 61.9 | 142.8 | 143.7 | -77.4 | 35.6 | 0 | 0 | 0 | 119.6 | ||||
| 138 | K | 40.4 | Very low | 39.2 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | -161.4 | 144.8 | -2.3 | -120.5 | 179.2 | 179.2 | 168.1 | 0 | 111.4 | ||||
| 139 | H | 37.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 49.2 | 122.8 | 158.1 | -65.5 | -74.7 | 0 | 0 | 0 | 122.8 | ||||
| 140 | S | 31 | Very low | 36.6 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | -156.6 | 136.3 | 99.5 | -163 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 141 | S | 38.6 | Very low | 35.6 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 57% | 0.566 | 80% | 0.799 | S | S | * | * | trans | -84.3 | 144.4 | -159.5 | -41.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 142 | R | 37.3 | Very low | 35.7 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | -164.4 | 144.3 | 115.5 | -119.9 | 165.6 | -75.8 | -153.2 | -0.4 | 114 | |||||
| 143 | N | 34.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 148.9 | -170.8 | -60.8 | -25.3 | 0 | 0 | 0 | 113 | ||||
| 144 | W | 33.5 | Very low | 35.7 | Very low | 249 Ų | 249 | 148.2 Ų | 148.2 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -129.2 | 140.7 | 147.5 | -72.1 | 107.4 | 0 | 0 | 0 | 108.5 | ||||
| 145 | P | 43.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 153.8 | -172.4 | 31.8 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 146 | P | 41.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.1 | 178.7 | 31.7 | -35 | 0 | 0 | 0 | 112.3 | ||
| 147 | H | 32.9 | Very low | 35.8 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.1 | 174.9 | -159 | -85.6 | 0 | 0 | 0 | 110.8 | ||
| 148 | R | 31.8 | Very low | 35.7 | Very low | 234 Ų | 234 | 157.4 Ų | 157.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -117.7 | 139 | 167.7 | -161.8 | -143.1 | -70.3 | -96.3 | 5.7 | 109 | ||||
| 149 | S | 33.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 160.5 Ų | 160.5 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 158 | -173.4 | -49.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 150 | E | 31.4 | Very low | 35.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | 60.9 | 117.2 | 153.7 | -69.2 | 174.5 | 174.9 | 0 | 0 | 120.2 | ||||
| 151 | T | 29.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 159.4 Ų | 159.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | -155.2 | 158.2 | 111.5 | 44 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 152 | T | 43.8 | Very low | 35 | Very low | 121 Ų | 121 | 161.3 Ų | 161.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 149.6 | 172.7 | 47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 153 | D | 31.9 | Very low | 35.1 | Very low | 168 Ų | 168 | 156.7 Ų | 156.7 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | -166.7 | 147.7 | 128.6 | -101.3 | -34.3 | 0 | 0 | 0 | 113.8 | |||||
| 154 | L | 43.7 | Very low | 35.1 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -92.6 | 124.8 | 178.7 | -71.4 | 156.9 | 0 | 0 | 0 | 109.9 | ||||
| 155 | H | 30.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 152.8 Ų | 152.8 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -141.9 | 135.5 | 157.6 | -145 | -103 | 0 | 0 | 0 | 115.5 | H157 | H155-H157 AromaticContact CE1-CD2 3.71Å; H155-H157 AromaticContact CE1-NE2 3.38Å; H155-H157 PolarHBondContact CE1-NE2 3.16Å; H155-H157 AromaticContact ND1-CD2 3.78Å; H155-H157 AromaticContact ND1-NE2 3.94Å | ||
| 156 | R | 37.2 | Very low | 34.5 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -93.1 | 146.2 | -176.6 | -176.9 | -169.1 | -159.9 | -78.2 | 2.8 | 108.9 | ||||
| 157 | H | 36.1 | Very low | 34.6 | Very low | 158 Ų | 158 | 157 Ų | 157 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | 177.7 | 105 | 147.9 | -81.7 | -49.5 | 0 | 0 | 0 | 107.1 | H155 | H155-H157 AromaticContact CE1-CD2 3.71Å; H155-H157 AromaticContact CE1-NE2 3.38Å; H155-H157 PolarHBondContact CE1-NE2 3.16Å; H155-H157 AromaticContact ND1-CD2 3.78Å; H155-H157 AromaticContact ND1-NE2 3.94Å | ||
| 158 | S | 30.6 | Very low | 34.5 | Very low | 92 Ų | 92 | 153.9 Ų | 153.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | 73.6 | 101.3 | 66.6 | -157.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 159 | F | 34.8 | Very low | 34.5 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 133.3 | 169.4 | -81.8 | -98.9 | 0 | 0 | 0 | 111.1 | ||||
| 160 | A | 34.7 | Very low | 34.2 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -156.7 | 117.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 161 | E | 30.5 | Very low | 34.4 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 99.5 | 117.5 | 84.8 | -179.7 | 176.9 | -164 | 0 | 0 | 110.8 | |||||
| 162 | S | 31.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -177.1 | 119.6 | 133.3 | -83.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 163 | L | 38.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -77.4 | 145.2 | 163 | -70.6 | 146 | 0 | 0 | 0 | 109.5 | ||||
| 164 | K | 35.7 | Very low | 34.6 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | 158.9 | 154.6 | 105.7 | -105 | 135.3 | -177.5 | 175.1 | 0 | 115.8 | |||||
| 165 | V | 28.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 77.8 | 120.2 | 146.8 | 169.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 166 | Y | 35.7 | Very low | 34.2 | Very low | 222 Ų | 222 | 149.9 Ų | 149.9 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -91.4 | 151.7 | 154.1 | -102.1 | -89.4 | 0 | 0 | 0 | 108.8 | ||||
| 167 | P | 43 | Very low | 33.9 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | -150.4 | 151 | 106.8 | 37.3 | -19.9 | 0 | 0 | 0 | 117.7 | |||||
| 168 | T | 31.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | 51.7 | 123.2 | 141.3 | 60.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 169 | Q | 31.2 | Very low | 34 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | 70.7 | 117.8 | 126.6 | -164.4 | 173.8 | 60.6 | 0 | 0 | 120.1 | |||||
| 170 | G | 28.3 | Very low | 34.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -170.6 | 116.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 171 | R | 34.1 | Very low | 34.3 | Very low | 258 Ų | 258 | 140.3 Ų | 140.3 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | trans | -87.9 | 141.4 | 179.2 | 168.6 | -164.1 | -75 | -105.4 | 4.7 | 110.3 | ||||
| 172 | G | 29.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -171.3 | 121.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 173 | S | 32.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 154.4 | 158.6 | -55.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 174 | P | 47.6 | Very low | 34.3 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | -126.1 | 157.1 | 97.7 | 1.4 | 21.5 | 0 | 0 | 0 | 112.4 | |||||
| 175 | Q | 32.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 63 | 128.2 | 77.6 | -133.1 | 178.3 | -11.3 | 0 | 0 | 111.2 | |||||
| 176 | E | 33.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | cis | -151.8 | 174 | 47.7 | -59 | -171.1 | 118 | 0 | 0 | 115.3 | ||||
| 177 | G | 32.2 | Very low | 33.9 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 83.8 | 111.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 178 | G | 32.3 | Very low | 33.3 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | 95.4 | 123.6 | 20.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 179 | S | 37 | Very low | 33.1 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 59% | 0.594 | 81% | 0.811 | S | S | * | * | cis | -173.2 | 173.6 | -4.7 | 27.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 180 | H | 36.9 | Very low | 33.1 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | 72.2 | 140.9 | 168.9 | -24.4 | -73.8 | 0 | 0 | 0 | 115.3 | ||||
| 181 | V | 37.3 | Very low | 33.3 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | cis | -138.4 | 156.1 | 16.3 | -76 | 0 | 0 | 0 | 0 | 113 | ||||
| 182 | S | 33.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 175 | 165.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 183 | R | 34.9 | Very low | 33.4 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | cis | -177.3 | 139.7 | 41.4 | -159.8 | 177.6 | -162.3 | 176.6 | 5.2 | 111.7 | ||||
| 184 | R | 32.5 | Very low | 33.6 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 38.9 | 122.8 | 146.7 | -58.8 | 173 | -165.3 | -170.8 | -1.4 | 119.3 | ||||
| 185 | L | 31.9 | Very low | 33 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | 60.3 | 101.8 | 72.2 | -172.1 | 94.6 | 0 | 0 | 0 | 115 | |||||
| 186 | L | 30.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -165.2 | 155.1 | 132 | -169 | 55 | 0 | 0 | 0 | 110.6 | ||||
| 187 | E | 30.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 155.5 | 176 | -58.6 | 167 | 96.1 | 0 | 0 | 113.5 | ||||
| 188 | Q | 29.3 | Very low | 33.7 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | -169.9 | 152.7 | 120.2 | -104.7 | 171.1 | 12.8 | 0 | 0 | 114.3 | |||||
| 189 | S | 26.8 | Very low | 34 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 142.7 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 190 | A | 32 | Very low | 34.2 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 173.7 | 117.8 | 114.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 191 | E | 31.4 | Very low | 34.3 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 50.7 | 144.8 | 142.4 | -58.2 | -165.1 | 156.3 | 0 | 0 | 126.4 | ||||
| 192 | S | 32.5 | Very low | 34.3 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 76.7 | 136.8 | 164.8 | 84.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 193 | F | 33 | Very low | 35 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | -136.6 | 147.1 | 17.9 | -107.6 | -98.6 | 0 | 0 | 0 | 114 | ||||
| 194 | L | 37.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 11.2 | 114.8 | 156 | -53.8 | 176.9 | 0 | 0 | 0 | 120 | ||||
| 195 | H | 34.7 | Very low | 35.7 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | 97.2 | 118.3 | 72.4 | -129.1 | -81.2 | 0 | 0 | 0 | 114.6 | |||||
| 196 | V | 39.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -75.1 | 148.1 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 197 | S | 30.6 | Very low | 36.1 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -147.7 | 115.7 | 162.2 | -77 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 198 | H | 42.9 | Very low | 36.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | 72.9 | 112.7 | 82 | -62.1 | -49 | 0 | 0 | 0 | 113.7 | |||||
| 199 | S | 39.8 | Very low | 36.5 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -149.1 | 139.1 | 148.7 | -170 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 200 | S | 41.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -138.9 | 155.2 | -169.9 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 201 | S | 38.4 | Very low | 38.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -155.1 | 94.6 | 168.4 | -74.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | D | 38 | Very low | 38.3 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -129.6 | 124.4 | 173 | -165.3 | 6.2 | 0 | 0 | 0 | 106.5 | ||||
| 203 | I | 48.1 | Very low | 38.8 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | -129.1 | 118.9 | -172.4 | -46.3 | 178.1 | 0 | 0 | 0 | 110 | ||||
| 204 | R | 42.1 | Very low | 38.7 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -97.2 | 163.7 | -177.3 | -58 | -173.8 | -169.9 | -173.6 | 5.5 | 112.8 | ||||
| 205 | K | 38 | Very low | 39.1 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -81.9 | 176.4 | -178.9 | -73.3 | 173.7 | 166 | 174.6 | 0 | 114.4 | ||||
| 206 | V | 34.9 | Very low | 39.2 | Very low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 94.8 | 117.2 | 154.9 | -168.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | T | 36.3 | Very low | 38.8 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | -144.1 | -169.5 | 62.6 | 46.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 208 | S | 32.6 | Very low | 39.3 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | -174.7 | 107.7 | -56 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 209 | V | 35.9 | Very low | 38.9 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -144.7 | 150.6 | 166 | -103 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | K | 43.6 | Very low | 38.8 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -121.7 | 177.7 | -173.8 | -56.9 | 173.5 | 179.1 | 172.8 | 0 | 109.7 | ||||
| 211 | P | 51 | Low | 38.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -128.8 | 177.1 | -11.2 | 28 | -6.2 | 0 | 0 | 0 | 113.9 | ||||
| 212 | L | 33.5 | Very low | 39.4 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | 157.5 | 118.3 | 122.1 | -81.4 | 173 | 0 | 0 | 0 | 113.7 | |||||
| 213 | K | 42.1 | Very low | 40 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 14.5 | 112.2 | 149.5 | -147.3 | 164 | -173 | 173.7 | 0 | 119.1 | ||||
| 214 | A | 32.4 | Very low | 40.2 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -136.2 | 147.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 215 | I | 44.3 | Very low | 41 | Very low | 143 Ų | 143 | 135 Ų | 135 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -92.1 | 140.7 | -170.8 | -62.2 | 153.2 | 0 | 0 | 0 | 110.1 | C217 | I215-C217 PolarHBondContact O-N 3.36Š| ||
| 216 | P | 37.8 | Very low | 41.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -81 | 104.2 | 165.2 | 31.9 | -29.6 | 0 | 0 | 0 | 109.9 | ||||
| 217 | C | 32.1 | Very low | 42.1 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -103.9 | 141.7 | 168.4 | -84.8 | 0 | 0 | 0 | 0 | 111.5 | I215 | I215-C217 PolarHBondContact O-N 3.36Š| ||
| 218 | S | 40.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -76.5 | -176 | -169.9 | -46.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 219 | S | 34.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | 82.9 | 139.5 | 162.8 | -110.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 220 | S | 37.5 | Very low | 42.9 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | -156.7 | 143.3 | -7.4 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 221 | A | 43.3 | Very low | 42.6 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -136.9 | 127.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 222 | P | 48.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.3 | -174.9 | 29.8 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 223 | P | 50 | Low | 42 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 146.8 | 178.1 | 31.5 | -34.2 | 0 | 0 | 0 | 112.3 | ||
| 224 | L | 53.8 | Low | 41.7 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 149.1 | 172.3 | -67 | 166.7 | 0 | 0 | 0 | 111.1 | ||
| 225 | P | 57.3 | Low | 41.6 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.2 | -179.8 | 29.2 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 226 | P | 52.8 | Low | 41.1 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78 | 145.4 | 178.5 | 31.5 | -34.5 | 0 | 0 | 0 | 112.7 | ||
| 227 | K | 43.2 | Very low | 40.7 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.8 | 168.7 | -73.5 | 173.8 | 174.2 | 174.9 | 0 | 110.5 | K229 | K227-K229 PolarHBondContact O-N 2.82Š|
| 228 | P | 39 | Very low | 40.5 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 132.8 | 177.8 | 27.8 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 229 | K | 42.1 | Very low | 40.9 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 119.7 | 163.3 | -67.5 | 179.1 | 179.9 | 178.5 | 0 | 107.5 | K227 A231 | K227-K229 PolarHBondContact O-N 2.82Å; K229-A231 PolarHBondContact O-N 3.23Å |
| 230 | I | 41.6 | Very low | 40.5 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -78 | 114.8 | 170.8 | -60 | 175 | 0 | 0 | 0 | 107.2 | ||||
| 231 | A | 36.8 | Very low | 40.4 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 140.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K229 | K229-A231 PolarHBondContact O-N 3.23Š| ||
| 232 | A | 34.4 | Very low | 40.2 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 141.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 233 | I | 37.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -113.7 | 131.1 | 163.1 | -64 | 176.4 | 0 | 0 | 0 | 106.4 | ||||
| 234 | A | 36.2 | Very low | 39.7 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | -108.5 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 235 | T | 30.7 | Very low | 39 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 72.3 | 132.4 | -177.2 | 5.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 236 | M | 34.2 | Very low | 38.5 | Very low | 166 Ų | 166 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -144.9 | 156 | 31.2 | -46.6 | -85.7 | 170.6 | 0 | 0 | 114.2 | ||||
| 237 | K | 29 | Very low | 37.6 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 87.2 | 130.7 | 150.3 | -143.3 | 75.2 | -176.7 | -176.8 | 0 | 120.7 | ||||
| 238 | S | 27.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -110.1 | 171.3 | 179.5 | 163.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 239 | P | 50.1 | Low | 37.2 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -121.2 | -173.8 | 13.3 | 35.2 | -12.7 | 0 | 0 | 0 | 113.7 | ||||
| 240 | E | 26.8 | Very low | 36.9 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | -166.3 | 169.9 | 38.8 | -166.3 | 171 | 123.1 | 0 | 0 | 112.6 | ||||
| 241 | A | 34.6 | Very low | 37.4 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | 85.8 | 95.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 242 | D | 39.2 | Very low | 37.9 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -83.5 | 177 | 153.9 | -98.1 | -52.2 | 0 | 0 | 0 | 111.2 | ||||
| 243 | P | 51.6 | Low | 39.1 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -131.5 | 179.6 | -23.6 | 33.3 | -14.6 | 0 | 0 | 0 | 112.8 | ||||
| 244 | V | 36.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | 169.6 | 117.2 | 126.4 | 158.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 245 | E | 39.3 | Very low | 40.3 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -108.7 | 148.9 | 158.1 | -95.6 | -74.8 | 140.7 | 0 | 0 | 106.9 | A247 | E245-A247 PolarHBondContact OE2-N 3.1Š| ||
| 246 | P | 46.9 | Very low | 41.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | -147.8 | 125.3 | 96.5 | 35.2 | -16.9 | 0 | 0 | 0 | 116 | |||||
| 247 | A | 32.6 | Very low | 42.5 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | 72 | 132.9 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | E245 | E245-A247 PolarHBondContact OE2-N 3.1Š| |||
| 248 | C | 32.8 | Very low | 43.9 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 91% | 0.905 | 80% | 0.796 | S | S | * | * | trans | 80.4 | 108.2 | 142.6 | -144.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 249 | G | 41.1 | Very low | 45.5 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 87.7 | 106.7 | 134.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 250 | V | 37 | Very low | 46 | Very low | 123 Ų | 123 | 145 Ų | 145 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | 174.1 | 131 | 117.5 | 153.5 | 0 | 0 | 0 | 0 | 108.2 | R252 | V250-R252 HydrophobicContact CG1-CG 4.25Å; V250-R252 PolarHBondContact O-N 3.25Å | |||
| 251 | S | 50.8 | Low | 47.7 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -57.9 | 110.7 | 173.8 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 252 | R | 48.3 | Very low | 49.2 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | -126.9 | 130.3 | 163.6 | -72.3 | -159.6 | -102.2 | -160.6 | -3.1 | 109.5 | V250 | V250-R252 HydrophobicContact CG1-CG 4.25Å; V250-R252 PolarHBondContact O-N 3.25Å | ||
| 253 | R | 58.3 | Low | 50.5 | Low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 153.4 | -176.6 | -58.1 | -176.8 | -173.3 | 179.1 | 2.6 | 110.9 | S255 | R253-S255 PolarHBondContact O-N 3.45Š|
| 254 | P | 48.9 | Very low | 51.1 | Low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 120.2 | 163.4 | -22.1 | 32.7 | 0 | 0 | 0 | 109 | L256 | P254-L256 PolarHBondContact O-N 3.2Š|
| 255 | S | 50.4 | Low | 52.6 | Low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 128.1 | 170.8 | 44.3 | 0 | 0 | 0 | 0 | 107.6 | R253 Q257 | R253-S255 PolarHBondContact O-N 3.45Å; S255-Q257 VanDerWaalsContact C-N 3.27Å; S255-Q257 PolarHBondContact O-N 2.81Å |
| 256 | L | 57.1 | Low | 54.1 | Low | 169 Ų | 169 | 129.9 Ų | 129.9 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | trans | -66 | 89.1 | 176.9 | -86.6 | 160.1 | 0 | 0 | 0 | 109.1 | P254 R258 | P254-L256 PolarHBondContact O-N 3.2Å; L256-R258 PolarHBondContact O-N 2.78Å | ||
| 257 | Q | 54.6 | Low | 54.8 | Low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | trans | -63.3 | 92 | 154.2 | -72.5 | -149.1 | -15.7 | 0 | 0 | 107.2 | S255 S259 | S255-Q257 VanDerWaalsContact C-N 3.27Å; S255-Q257 PolarHBondContact O-N 2.81Å; Q257-S259 PolarHBondContact O-N 3.03Å | ||
| 258 | R | 58.4 | Low | 56.4 | Low | 236 Ų | 236 | 136.3 Ų | 136.3 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | trans | -55 | 110.7 | 162.8 | -91.6 | 176.8 | 114.4 | 139.2 | -1.9 | 106.5 | L256 K260 | L256-R258 PolarHBondContact O-N 2.78Å; R258-K260 PolarHBondContact O-N 3.45Å | ||
| 259 | S | 59.3 | Low | 58.2 | Low | 83 Ų | 83 | 138 Ų | 138 | 58% | 0.58 | 69% | 0.685 | S | S | * | * | trans | -50.9 | 129.6 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | Q257 S261 | Q257-S259 PolarHBondContact O-N 3.03Å; S259-S261 PolarHBondContact O-N 3.13Å; S259-S261 VanDerWaalsContact O-N 3.14Å; S259-S261 WeakPolarHBondContact OG-CB 3.24Å; S259-S261 PolarHBondContact OG-N 3.19Å; S259-S261 PolarHBondContact OG-OG 3.41Å | ||
| 260 | K | 62.1 | Low | 59.7 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 1 | 174.9 | -73.8 | -173.3 | 175 | 180 | 0 | 113.1 | R258 D262 | R258-K260 PolarHBondContact O-N 3.45Å; K260-D262 PolarHBondContact O-N 3.17Å |
| 261 | S | 61.9 | Low | 61.3 | Low | 43 Ų | 43 | 138.5 Ų | 138.5 | 30% | 0.301 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.2 | -25.4 | -178.3 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | S259 L263 S264 D265 | S259-S261 PolarHBondContact O-N 3.13Å; S259-S261 VanDerWaalsContact O-N 3.14Å; S259-S261 WeakPolarHBondContact OG-CB 3.24Å; S259-S261 PolarHBondContact OG-N 3.19Å; S259-S261 PolarHBondContact OG-OG 3.41Å; S261-L263 PolarHBondContact O-N 2.83Å; S261-L263 VanDerWaalsContact O-N 3.13Å; S261-S264 WeakPolarHBondContact CA-OG 3.42Å; S261-S264 PolarHBondContact O-N 2.85Å; S261-S264 PolarHBondContact O-OG 2.95Å; S261-D265 VanDerWaalsContact O-CB 3.24Å; S261-D265 WeakPolarHBondContact O-CB 3.35Å; S261-D265 PolarHBondContact O-N 3.5Å |
| 262 | D | 65.1 | Low | 62.5 | Low | 113 Ų | 113 | 134.8 Ų | 134.8 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.1 | -16.9 | -171.4 | -160.8 | 41.4 | 0 | 0 | 0 | 114.4 | K260 R266 | K260-D262 PolarHBondContact O-N 3.17Å; D262-R266 WeakPolarHBondContact O-CG 3.42Å; D262-R266 PolarHBondContact O-NE 3.44Å; D262-R266 VanDerWaalsContact O-NE 3.07Å |
| 263 | L | 66.9 | Low | 63.8 | Low | 107 Ų | 107 | 128.8 Ų | 128.8 | 56% | 0.56 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.6 | -49.2 | 168.1 | -87.4 | 164.9 | 0 | 0 | 0 | 111.7 | S261 D265 R266 Y267 | S261-L263 PolarHBondContact O-N 2.83Å; S261-L263 VanDerWaalsContact O-N 3.13Å; L263-D265 PolarHBondContact O-N 2.88Å; L263-R266 PolarHBondContact O-N 3.37Å; L263-Y267 WeakPolarHBondContact O-CD2 3.38Å; L263-Y267 PolarHBondContact O-N 3.32Å |
| 264 | S | 65.3 | Low | 64.9 | Low | 49 Ų | 49 | 121 Ų | 121 | 34% | 0.343 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.2 | -43.6 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 112 | S261 R266 Y267 F268 | S261-S264 WeakPolarHBondContact CA-OG 3.42Å; S261-S264 PolarHBondContact O-N 2.85Å; S261-S264 PolarHBondContact O-OG 2.95Å; S264-R266 PolarHBondContact O-N 3.28Å; S264-Y267 PolarHBondContact O-N 3Å; S264-Y267 VanDerWaalsContact O-N 3.1Å; S264-F268 WeakPolarHBondContact O-CD2 3.34Å; S264-F268 PolarHBondContact O-N 3.29Å |
| 265 | D | 68.4 | Low | 66.4 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -28 | -178.3 | -67.3 | -2.9 | 0 | 0 | 0 | 111.8 | S261 L263 R269 | S261-D265 VanDerWaalsContact O-CB 3.24Å; S261-D265 WeakPolarHBondContact O-CB 3.35Å; S261-D265 PolarHBondContact O-N 3.5Å; L263-D265 PolarHBondContact O-N 2.88Å; D265-R269 VanDerWaalsContact O-CB 3.29Å; D265-R269 WeakPolarHBondContact O-CB 3.37Å; D265-R269 WeakPolarHBondContact O-CD 3.39Å; D265-R269 WeakPolarHBondContact O-CG 3.43Å; D265-R269 PolarHBondContact O-N 2.94Å; D265-R269 VanDerWaalsContact O-N 3.16Å |
| 266 | R | 69.8 | Low | 68 | Low | 143 Ų | 143 | 124 Ų | 124 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.7 | -40.4 | 174.5 | -66.5 | -172 | -56.9 | -175.9 | 9.2 | 111.9 | D262 L263 S264 V270 | D262-R266 WeakPolarHBondContact O-CG 3.42Å; D262-R266 PolarHBondContact O-NE 3.44Å; D262-R266 VanDerWaalsContact O-NE 3.07Å; L263-R266 PolarHBondContact O-N 3.37Å; S264-R266 PolarHBondContact O-N 3.28Å; R266-V270 VanDerWaalsContact O-CG2 3.29Å; R266-V270 WeakPolarHBondContact O-CG2 3.44Å; R266-V270 PolarHBondContact O-N 2.99Å; R266-V270 VanDerWaalsContact O-N 3.09Å |
| 267 | Y | 62.2 | Low | 69.2 | Low | 180 Ų | 180 | 121.5 Ų | 121.5 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.7 | -47.9 | 173.8 | -85.2 | -83.5 | 0 | 0 | 0 | 112 | L263 S264 R269 V270 D271 | L263-Y267 WeakPolarHBondContact O-CD2 3.38Å; L263-Y267 PolarHBondContact O-N 3.32Å; S264-Y267 PolarHBondContact O-N 3Å; S264-Y267 VanDerWaalsContact O-N 3.1Å; Y267-R269 VanDerWaalsContact C-N 3.31Å; Y267-R269 PolarHBondContact O-N 3.34Å; Y267-V270 PolarHBondContact O-N 2.93Å; Y267-D271 WeakPolarHBondContact O-CB 3.35Å; Y267-D271 PolarHBondContact O-N 2.87Å |
| 268 | F | 67 | Low | 70.5 | Confident | 148 Ų | 148 | 115.8 Ų | 115.8 | 65% | 0.649 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.2 | -34.5 | 177 | -86 | -71.5 | 0 | 0 | 0 | 113.3 | S264 A272 | S264-F268 WeakPolarHBondContact O-CD2 3.34Å; S264-F268 PolarHBondContact O-N 3.29Å; F268-A272 WeakPolarHBondContact O-CB 3.37Å; F268-A272 PolarHBondContact O-N 2.87Å |
| 269 | R | 70.2 | Confident | 71.5 | Confident | 169 Ų | 169 | 110 Ų | 110 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68 | -44 | 173.2 | -77.7 | 168.4 | -170.5 | -76.3 | -3.8 | 112.2 | D265 Y267 D273 | D265-R269 VanDerWaalsContact O-CB 3.29Å; D265-R269 WeakPolarHBondContact O-CB 3.37Å; D265-R269 WeakPolarHBondContact O-CD 3.39Å; D265-R269 WeakPolarHBondContact O-CG 3.43Å; D265-R269 PolarHBondContact O-N 2.94Å; D265-R269 VanDerWaalsContact O-N 3.16Å; Y267-R269 VanDerWaalsContact C-N 3.31Å; Y267-R269 PolarHBondContact O-N 3.34Å; R269-D273 VanDerWaalsContact O-CB 3.23Å; R269-D273 WeakPolarHBondContact O-CB 3.28Å; R269-D273 PolarHBondContact O-N 3.07Å |
| 270 | V | 72.3 | Confident | 72.2 | Confident | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 178.6 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | R266 Y267 D273 V274 | R266-V270 VanDerWaalsContact O-CG2 3.29Å; R266-V270 WeakPolarHBondContact O-CG2 3.44Å; R266-V270 PolarHBondContact O-N 2.99Å; R266-V270 VanDerWaalsContact O-N 3.09Å; Y267-V270 PolarHBondContact O-N 2.93Å; V270-D273 PolarHBondContact O-N 3.01Å; V270-V274 WeakPolarHBondContact O-CB 3.45Å; V270-V274 WeakPolarHBondContact O-CG2 3.26Å; V270-V274 PolarHBondContact O-N 3.14Å |
| 271 | D | 69.8 | Low | 73 | Confident | 107 Ų | 107 | 108.9 Ų | 108.9 | 57% | 0.572 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -49.6 | 178.7 | -156 | 42.8 | 0 | 0 | 0 | 111.2 | Y267 D273 V274 E275 | Y267-D271 WeakPolarHBondContact O-CB 3.35Å; Y267-D271 PolarHBondContact O-N 2.87Å; D271-D273 PolarHBondContact O-N 3.3Å; D271-V274 PolarHBondContact O-N 3.32Å; D271-E275 WeakPolarHBondContact O-CB 3.31Å; D271-E275 PolarHBondContact O-N 3.14Å |
| 272 | A | 75.8 | Confident | 73.6 | Confident | 47 Ų | 47 | 109.7 Ų | 109.7 | 39% | 0.388 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | F268 R276 | F268-A272 WeakPolarHBondContact O-CB 3.37Å; F268-A272 PolarHBondContact O-N 2.87Å; A272-R276 WeakPolarHBondContact O-CB 3.27Å; A272-R276 PolarHBondContact O-N 3.49Å |
| 273 | D | 77.1 | Confident | 73.7 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.5 | -33.2 | 175 | -82.8 | -33.8 | 0 | 0 | 0 | 111.6 | R269 V270 D271 F277 | R269-D273 VanDerWaalsContact O-CB 3.23Å; R269-D273 WeakPolarHBondContact O-CB 3.28Å; R269-D273 PolarHBondContact O-N 3.07Å; V270-D273 PolarHBondContact O-N 3.01Å; D271-D273 PolarHBondContact O-N 3.3Å; D273-F277 WeakPolarHBondContact O-CB 3.48Å; D273-F277 PolarHBondContact O-N 2.73Å |
| 274 | V | 80.4 | Confident | 74 | Confident | 69 Ų | 69 | 107.1 Ų | 107.1 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.8 | -50 | 173.7 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | V270 D271 R276 F277 F278 | V270-V274 WeakPolarHBondContact O-CB 3.45Å; V270-V274 WeakPolarHBondContact O-CG2 3.26Å; V270-V274 PolarHBondContact O-N 3.14Å; D271-V274 PolarHBondContact O-N 3.32Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 2.9Å; V274-F277 WeakPolarHBondContact O-CB 3.48Å; V274-F277 PolarHBondContact O-N 3.41Å; V274-F277 VanDerWaalsContact O-N 3.08Å; V274-F278 HydrophobicContact CG1-CD2 3.77Å; V274-F278 HydrophobicContact CG1-CE2 3.43Å; V274-F278 VanDerWaalsContact CG1-CE2 3.43Å; V274-F278 WeakPolarHBondContact O-CD2 3.25Å; V274-F278 PolarHBondContact O-N 3.13Å |
| 275 | E | 81.2 | Confident | 73.8 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.1 | -42.5 | 175.1 | -168.5 | -169.4 | -177.6 | 0 | 0 | 111.1 | D271 F277 F278 N279 | D271-E275 WeakPolarHBondContact O-CB 3.31Å; D271-E275 PolarHBondContact O-N 3.14Å; E275-F277 PolarHBondContact O-N 2.85Å; E275-F278 PolarHBondContact O-N 3.01Å; E275-N279 WeakPolarHBondContact O-CB 3.02Å; E275-N279 PolarHBondContact O-N 2.76Å; E275-N279 PolarHBondContact O-ND2 3.24Å |
| 276 | R | 83.9 | Confident | 73.5 | Confident | 171 Ų | 171 | 112.6 Ų | 112.6 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.4 | -32 | 175.4 | -179.8 | 173.9 | 169 | -81.8 | -11.6 | 113.1 | A272 V274 Y280 | A272-R276 WeakPolarHBondContact O-CB 3.27Å; A272-R276 PolarHBondContact O-N 3.49Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 2.9Å; R276-Y280 VanDerWaalsContact O-CB 3.24Å; R276-Y280 WeakPolarHBondContact O-CB 3.29Å; R276-Y280 PolarHBondContact O-N 3.07Å |
| 277 | F | 82.1 | Confident | 73.1 | Confident | 118 Ų | 118 | 111 Ų | 111 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -47.5 | 173.5 | 169.3 | -94.9 | 0 | 0 | 0 | 111 | D273 V274 E275 Y280 C281 | D273-F277 WeakPolarHBondContact O-CB 3.48Å; D273-F277 PolarHBondContact O-N 2.73Å; V274-F277 WeakPolarHBondContact O-CB 3.48Å; V274-F277 PolarHBondContact O-N 3.41Å; V274-F277 VanDerWaalsContact O-N 3.08Å; E275-F277 PolarHBondContact O-N 2.85Å; F277-Y280 PolarHBondContact O-N 3.32Å; F277-C281 PolarHBondContact O-N 3.08Å |
| 278 | F | 81.9 | Confident | 73 | Confident | 63 Ų | 63 | 106.5 Ų | 106.5 | 28% | 0.276 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.4 | -71.4 | -58.6 | 0 | 0 | 0 | 112.1 | V274 E275 Y280 C281 G282 L283 | V274-F278 HydrophobicContact CG1-CD2 3.77Å; V274-F278 HydrophobicContact CG1-CE2 3.43Å; V274-F278 VanDerWaalsContact CG1-CE2 3.43Å; V274-F278 WeakPolarHBondContact O-CD2 3.25Å; V274-F278 PolarHBondContact O-N 3.13Å; E275-F278 PolarHBondContact O-N 3.01Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.78Å; F278-C281 CarbonylContact O-C 3.53Å; F278-C281 WeakPolarHBondContact O-CA 3.46Å; F278-C281 PolarHBondContact O-N 2.87Å; F278-G282 PolarHBondContact O-N 2.97Å; F278-L283 CarbonylContact C-O 3.59Å; F278-L283 WeakPolarHBondContact CB-O 3.31Å; F278-L283 HydrophobicContact CD1-CB 4.17Å; F278-L283 HydrophobicContact CD1-CD1 4.22Å; F278-L283 PolarHBondContact O-N 2.99Å |
| 279 | N | 80.1 | Confident | 72.9 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | 172.1 | -83.2 | -72.4 | 0 | 0 | 0 | 113.3 | E275 G282 | E275-N279 WeakPolarHBondContact O-CB 3.02Å; E275-N279 PolarHBondContact O-N 2.76Å; E275-N279 PolarHBondContact O-ND2 3.24Å; N279-G282 PolarHBondContact O-N 2.74Å |
| 280 | Y | 73.4 | Confident | 72.2 | Confident | 197 Ų | 197 | 105.8 Ų | 105.8 | 77% | 0.773 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70 | -33.4 | 175.5 | 175 | -94.6 | 0 | 0 | 0 | 112.7 | R276 F277 F278 G282 | R276-Y280 VanDerWaalsContact O-CB 3.24Å; R276-Y280 WeakPolarHBondContact O-CB 3.29Å; R276-Y280 PolarHBondContact O-N 3.07Å; F277-Y280 PolarHBondContact O-N 3.32Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.78Å; Y280-G282 VanDerWaalsContact C-N 3.29Å |
| 281 | C | 78.6 | Confident | 71.5 | Confident | 63 Ų | 63 | 106 Ų | 106 | 43% | 0.426 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.6 | -11.3 | 173.1 | -72.5 | 0 | 0 | 0 | 0 | 113.5 | F277 F278 L283 | F277-C281 PolarHBondContact O-N 3.08Å; F278-C281 CarbonylContact O-C 3.53Å; F278-C281 WeakPolarHBondContact O-CA 3.46Å; F278-C281 PolarHBondContact O-N 2.87Å; C281-L283 VanDerWaalsContact C-N 3.33Å; C281-L283 HydrophobicContact CB-CD1 3.92Å; C281-L283 HydrophobicContact CB-CG 3.98Å |
| 282 | G | 73.8 | Confident | 70.4 | Confident | 59 Ų | 59 | 101.1 Ų | 101.1 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 30.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F278 N279 Y280 | F278-G282 PolarHBondContact O-N 2.97Å; N279-G282 PolarHBondContact O-N 2.74Å; Y280-G282 VanDerWaalsContact C-N 3.29Å |
| 283 | L | 68 | Low | 69.3 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | trans | -105.3 | 124.2 | 178 | -62 | 172.6 | 0 | 0 | 0 | 108.6 | F278 C281 | F278-L283 CarbonylContact C-O 3.59Å; F278-L283 WeakPolarHBondContact CB-O 3.31Å; F278-L283 HydrophobicContact CD1-CB 4.17Å; F278-L283 HydrophobicContact CD1-CD1 4.22Å; F278-L283 PolarHBondContact O-N 2.99Å; C281-L283 VanDerWaalsContact C-N 3.33Å; C281-L283 HydrophobicContact CB-CD1 3.92Å; C281-L283 HydrophobicContact CB-CG 3.98Å | ||
| 284 | D | 71.9 | Confident | 68.2 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | trans | -82.6 | 138 | 172.4 | -159.6 | -44.3 | 0 | 0 | 0 | 109.6 | E286 E287 L288 | D284-E286 PolarHBondContact O-N 3.49Å; D284-E286 PolarHBondContact OD1-N 2.65Å; D284-E287 HydrophobicContact CB-CB 4.26Å; D284-E287 HydrophobicContact CB-CG 3.95Å; D284-E287 PolarHBondContact N-OE2 3.38Å; D284-E287 WeakPolarHBondContact O-CB 3.5Å; D284-E287 PolarHBondContact O-N 3.25Å; D284-L288 PolarHBondContact O-N 3.31Å | ||
| 285 | P | 62.4 | Low | 66.9 | Low | 94 Ų | 94 | 109 Ų | 109 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -49.6 | -32.9 | 165.3 | 18.4 | -32.2 | 0 | 0 | 0 | 113.8 | L288 E289 | P285-L288 PolarHBondContact O-N 2.79Å; P285-E289 PolarHBondContact O-N 3.4Å |
| 286 | E | 62.1 | Low | 65.4 | Low | 139 Ų | 139 | 109.4 Ų | 109.4 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.6 | -32.4 | 174.6 | -65 | -171 | 178.6 | 0 | 0 | 112.7 | D284 L288 E289 N290 | D284-E286 PolarHBondContact O-N 3.49Å; D284-E286 PolarHBondContact OD1-N 2.65Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 2.96Å; E286-E289 PolarHBondContact O-N 2.95Å; E286-N290 WeakPolarHBondContact O-CB 3.05Å; E286-N290 VanDerWaalsContact O-CG 3.31Å; E286-N290 PolarHBondContact O-N 3.03Å; E286-N290 VanDerWaalsContact O-N 3.07Å |
| 287 | E | 61 | Low | 63.7 | Low | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.6 | -29.5 | 173.8 | -72.1 | -179.7 | 160.8 | 0 | 0 | 112.1 | D284 L291 | D284-E287 HydrophobicContact CB-CB 4.26Å; D284-E287 HydrophobicContact CB-CG 3.95Å; D284-E287 PolarHBondContact N-OE2 3.38Å; D284-E287 WeakPolarHBondContact O-CB 3.5Å; D284-E287 PolarHBondContact O-N 3.25Å; E287-L291 WeakPolarHBondContact O-CB 3.41Å; E287-L291 PolarHBondContact O-N 2.76Å |
| 288 | L | 60.4 | Low | 62 | Low | 85 Ų | 85 | 108.8 Ų | 108.8 | 45% | 0.445 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.8 | -36.5 | 177.1 | -174.9 | 63.5 | 0 | 0 | 0 | 112.2 | D284 P285 E286 L291 G292 F296 | D284-L288 PolarHBondContact O-N 3.31Å; P285-L288 PolarHBondContact O-N 2.79Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 2.96Å; L288-L291 PolarHBondContact O-N 2.83Å; L288-G292 PolarHBondContact O-N 3.07Å; L288-F296 HydrophobicContact CD1-CE2 4.11Å; L288-F296 HydrophobicContact CD1-CZ 4.44Å |
| 289 | E | 63.5 | Low | 60.3 | Low | 156 Ų | 156 | 109.8 Ų | 109.8 | 73% | 0.729 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.7 | -43.2 | 172.8 | -170.4 | 164.6 | -168 | 0 | 0 | 110.7 | P285 E286 L291 G292 | P285-E289 PolarHBondContact O-N 3.4Å; E286-E289 PolarHBondContact O-N 2.95Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 2.93Å; E289-G292 PolarHBondContact O-N 2.85Å; E289-G292 VanDerWaalsContact O-N 3.09Å |
| 290 | N | 55.9 | Low | 59 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.9 | -23.4 | 175 | -71.7 | -2.2 | 0 | 0 | 0 | 114 | E286 G292 | E286-N290 WeakPolarHBondContact O-CB 3.05Å; E286-N290 VanDerWaalsContact O-CG 3.31Å; E286-N290 PolarHBondContact O-N 3.03Å; E286-N290 VanDerWaalsContact O-N 3.07Å; N290-G292 VanDerWaalsContact C-N 3.31Å |
| 291 | L | 57.4 | Low | 57.9 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -9.5 | 175.2 | -153.4 | 69.8 | 0 | 0 | 0 | 113.1 | E287 L288 E289 N295 F296 | E287-L291 WeakPolarHBondContact O-CB 3.41Å; E287-L291 PolarHBondContact O-N 2.76Å; L288-L291 PolarHBondContact O-N 2.83Å; E289-L291 VanDerWaalsContact C-N 3.26Å; E289-L291 PolarHBondContact O-N 2.93Å; L291-N295 PolarHBondContact O-ND2 3.33Å; L291-F296 HydrophobicContact CD2-CE2 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.46Å |
| 292 | G | 48.2 | Very low | 56.5 | Low | 3 Ų | 3 | 109.7 Ų | 109.7 | 3% | 0.031 | 59% | 0.591 | C | S | . | * | trans | 72.2 | 122.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L288 E289 N290 E294 N295 | L288-G292 PolarHBondContact O-N 3.07Å; E289-G292 PolarHBondContact O-N 2.85Å; E289-G292 VanDerWaalsContact O-N 3.09Å; N290-G292 VanDerWaalsContact C-N 3.31Å; G292-E294 VanDerWaalsContact C-OE2 3.29Å; G292-E294 WeakPolarHBondContact CA-OE1 3.34Å; G292-E294 VanDerWaalsContact CA-OE2 3.24Å; G292-E294 WeakPolarHBondContact CA-OE2 3.18Å; G292-E294 PolarHBondContact O-N 2.83Å; G292-E294 VanDerWaalsContact O-N 3.09Å; G292-N295 PolarHBondContact O-N 3.18Å | ||
| 293 | M | 51.4 | Low | 55.6 | Low | 161 Ų | 161 | 114.5 Ų | 114.5 | 79% | 0.793 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.8 | -22.8 | 171.5 | -72.1 | -179.4 | -99.8 | 0 | 0 | 112.2 | N295 F296 A297 | M293-N295 VanDerWaalsContact C-N 3.3Å; M293-N295 PolarHBondContact O-N 2.62Å; M293-F296 PolarHBondContact O-N 3.27Å; M293-A297 PolarHBondContact O-N 3.29Å |
| 294 | E | 54.7 | Low | 55.1 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.9 | -27.2 | 172.3 | 59.2 | -89.1 | -157 | 0 | 0 | 114.9 | G292 R298 | G292-E294 VanDerWaalsContact C-OE2 3.29Å; G292-E294 WeakPolarHBondContact CA-OE1 3.34Å; G292-E294 VanDerWaalsContact CA-OE2 3.24Å; G292-E294 WeakPolarHBondContact CA-OE2 3.18Å; G292-E294 PolarHBondContact O-N 2.83Å; G292-E294 VanDerWaalsContact O-N 3.09Å; E294-R298 PolarHBondContact O-N 3.37Å |
| 295 | N | 53.3 | Low | 53.9 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -81.2 | -30 | -179.1 | -74.2 | -46.1 | 0 | 0 | 0 | 112.6 | L291 G292 M293 | L291-N295 PolarHBondContact O-ND2 3.33Å; G292-N295 PolarHBondContact O-N 3.18Å; M293-N295 VanDerWaalsContact C-N 3.3Å; M293-N295 PolarHBondContact O-N 2.62Å |
| 296 | F | 49.4 | Very low | 53.2 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 58% | 0.575 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.4 | -28.9 | 172 | -67.7 | -82.4 | 0 | 0 | 0 | 112.5 | L288 L291 M293 N300 | L288-F296 HydrophobicContact CD1-CE2 4.11Å; L288-F296 HydrophobicContact CD1-CZ 4.44Å; L291-F296 HydrophobicContact CD2-CE2 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.46Å; M293-F296 PolarHBondContact O-N 3.27Å; F296-N300 PolarHBondContact O-ND2 2.87Å |
| 297 | A | 48.1 | Very low | 52.6 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -73.6 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M293 A299 N300 | M293-A297 PolarHBondContact O-N 3.29Å; A297-A299 PolarHBondContact O-N 3.48Å; A297-N300 PolarHBondContact O-ND2 3.47Å; A297-N300 VanDerWaalsContact O-ND2 3.1Å |
| 298 | R | 47.1 | Very low | 51.4 | Low | 213 Ų | 213 | 127.3 Ų | 127.3 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -12.5 | -172 | -177.5 | 162.4 | -86 | 136.4 | -4.7 | 115.1 | E294 | E294-R298 PolarHBondContact O-N 3.37Š|
| 299 | A | 44.7 | Very low | 50.7 | Low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A297 | A297-A299 PolarHBondContact O-N 3.48Š|
| 300 | N | 53.3 | Low | 49.5 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -101.5 | 77 | 176 | -79.9 | -72.4 | 0 | 0 | 0 | 113.3 | F296 A297 | F296-N300 PolarHBondContact O-ND2 2.87Å; A297-N300 PolarHBondContact O-ND2 3.47Å; A297-N300 VanDerWaalsContact O-ND2 3.1Å | ||
| 301 | S | 51.1 | Low | 49 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | -151.6 | 134.3 | 139.4 | 79.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 302 | D | 49.2 | Very low | 47.9 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -147.2 | 13.4 | 43.9 | -50.7 | -47.8 | 0 | 0 | 0 | 114.1 | ||
| 303 | I | 55.1 | Low | 47.4 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 82% | 0.821 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -105.8 | -17 | -152.1 | -61 | -176.8 | 0 | 0 | 0 | 116.9 | ||
| 304 | I | 56.1 | Low | 46.7 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -128.8 | 71.6 | -173 | -43.8 | -178.3 | 0 | 0 | 0 | 113.7 | ||
| 305 | S | 48.6 | Very low | 46 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -158.3 | 46.6 | 162.3 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | N307 | S305-N307 PolarHBondContact O-N 3.21Š| ||
| 306 | L | 45.8 | Very low | 45.6 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | trans | -80.1 | 65.9 | 165.4 | -166.8 | 64.8 | 0 | 0 | 0 | 111.4 | ||||
| 307 | N | 50.1 | Low | 45.3 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -119.7 | 68.8 | 162.2 | -179.3 | 46.7 | 0 | 0 | 0 | 109.5 | S305 | S305-N307 PolarHBondContact O-N 3.21Š| ||
| 308 | F | 36.7 | Very low | 45.1 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -134.6 | 112.8 | 163.8 | -94.2 | -79.7 | 0 | 0 | 0 | 111.7 | S310 | F308-S310 PolarHBondContact O-N 3.16Š| ||
| 309 | R | 44.5 | Very low | 45 | Very low | 234 Ų | 234 | 139.6 Ų | 139.6 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -59.5 | 114.9 | 142.1 | -68.5 | -101.4 | -175 | -106.7 | -0.5 | 106.9 | ||||
| 310 | S | 38.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -176 | 130.7 | 141 | -98.4 | 0 | 0 | 0 | 0 | 110.6 | F308 | F308-S310 PolarHBondContact O-N 3.16Š| ||
| 311 | A | 45 | Very low | 44.3 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 135 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | S | 34.9 | Very low | 43.8 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -162.5 | 90.9 | 149.2 | -81 | 0 | 0 | 0 | 0 | 106.8 | I314 | S312-I314 PolarHBondContact O-N 2.93Š| ||
| 313 | M | 37.6 | Very low | 43.2 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -64.1 | 117.6 | 154.7 | -61.1 | -165 | -52.6 | 0 | 0 | 105.4 | S315 | M313-S315 VanDerWaalsContact C-N 3.34Å; M313-S315 PolarHBondContact O-N 3.2Å | ||
| 314 | I | 37.4 | Very low | 42.6 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | trans | -67.6 | 104.9 | 162.3 | -109 | 165.5 | 0 | 0 | 0 | 105.4 | S312 S316 | S312-I314 PolarHBondContact O-N 2.93Å; I314-S316 PolarHBondContact O-N 2.85Å | ||
| 315 | S | 40.4 | Very low | 41.9 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 119.7 | 167.1 | -161.4 | 0 | 0 | 0 | 0 | 106.7 | M313 | M313-S315 VanDerWaalsContact C-N 3.34Å; M313-S315 PolarHBondContact O-N 3.2Å | ||
| 316 | S | 44.7 | Very low | 41.5 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | -120.4 | 105.8 | 159.4 | 64.6 | 0 | 0 | 0 | 0 | 106.6 | I314 C318 | I314-S316 PolarHBondContact O-N 2.85Å; S316-C318 PolarHBondContact O-N 3.34Å | ||
| 317 | D | 41.8 | Very low | 41.1 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 130.1 | -175.4 | -55.6 | -73.9 | 0 | 0 | 0 | 110.7 | ||||
| 318 | C | 45.4 | Very low | 41 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -133.1 | 90.8 | 172.7 | -71 | 0 | 0 | 0 | 0 | 106.9 | S316 Q320 | S316-C318 PolarHBondContact O-N 3.34Å; C318-Q320 PolarHBondContact O-N 2.93Å | ||
| 319 | E | 44.3 | Very low | 41.2 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -65.8 | 101.5 | 176.4 | -64.1 | -176.4 | 106.7 | 0 | 0 | 110.2 | ||||
| 320 | Q | 38.3 | Very low | 41 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -140.6 | 95.5 | 165.7 | -145.2 | 79.5 | 80.7 | 0 | 0 | 110.3 | C318 | C318-Q320 PolarHBondContact O-N 2.93Š| ||
| 321 | S | 44.8 | Very low | 41.6 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -80.3 | 129 | 172.8 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 322 | Q | 40.4 | Very low | 41.8 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -174.7 | 141.9 | 130.6 | -102.9 | 169.7 | 9.3 | 0 | 0 | 113.3 | ||||
| 323 | D | 37.8 | Very low | 42.2 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 68.5 | 82.6 | 151.4 | -57.9 | -5.3 | 0 | 0 | 0 | 122 | ||||
| 324 | S | 41.9 | Very low | 42.9 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 14.7 | 117.3 | 130.7 | 58.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 325 | N | 42.1 | Very low | 43.2 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 59.6 | 112.2 | 117.4 | -165.7 | 7.6 | 0 | 0 | 0 | 120.8 | |||||
| 326 | S | 40.3 | Very low | 43.4 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -152.5 | 128.4 | 130.2 | 43.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 327 | D | 37.3 | Very low | 43.5 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 61.2 | 111.4 | 159.2 | -98.5 | -30.6 | 0 | 0 | 0 | 123 | ||||
| 328 | L | 47 | Very low | 43.9 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -90.3 | 128.6 | 158.7 | -65.7 | 164.2 | 0 | 0 | 0 | 109 | ||||
| 329 | R | 42.1 | Very low | 44.6 | Very low | 254 Ų | 254 | 146.8 Ų | 146.8 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | trans | -172.5 | 89.2 | 138.2 | -80.9 | -131.4 | 175.8 | -110.2 | -11.7 | 112 | ||||
| 330 | N | 39.5 | Very low | 45.2 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -154.8 | 79.8 | 142.7 | -170.2 | 22.6 | 0 | 0 | 0 | 109.7 | ||||
| 331 | D | 49.8 | Very low | 46.9 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -109.9 | 67.5 | 177.9 | -154.3 | -8.2 | 0 | 0 | 0 | 109.5 | ||||
| 332 | D | 51.1 | Low | 48.7 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -157.3 | 49.2 | 164.9 | -144.1 | -11 | 0 | 0 | 0 | 113 | ||
| 333 | S | 43.1 | Very low | 51.1 | Low | 80 Ų | 80 | 134.9 Ų | 134.9 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | trans | -164.6 | 30.9 | 164.6 | -84 | 0 | 0 | 0 | 0 | 113.3 | N335 D336 | S333-N335 PolarHBondContact O-N 3.49Å; S333-N335 VanDerWaalsContact O-N 3.07Å; S333-D336 PolarHBondContact O-N 3.07Å | ||
| 334 | A | 51.5 | Low | 53.7 | Low | 72 Ų | 72 | 131.2 Ų | 131.2 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -11.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 335 | N | 43 | Very low | 56.2 | Low | 168 Ų | 168 | 132.7 Ų | 132.7 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 2.6 | -179.8 | -75.8 | -62.2 | 0 | 0 | 0 | 115.2 | S333 | S333-N335 PolarHBondContact O-N 3.49Å; S333-N335 VanDerWaalsContact O-N 3.07Å |
| 336 | D | 44.9 | Very low | 58.8 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -116.3 | 28.2 | 174.6 | -144.4 | 8.6 | 0 | 0 | 0 | 112.3 | S333 V338 | S333-D336 PolarHBondContact O-N 3.07Å; D336-V338 PolarHBondContact O-N 3.34Å | ||
| 337 | R | 46.9 | Very low | 61.4 | Low | 219 Ų | 219 | 129.9 Ų | 129.9 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | -68.2 | 79.7 | 158.1 | -88.7 | -177.4 | 164.7 | 138.4 | -4.3 | 108.7 | P339 | R337-P339 WeakPolarHBondContact O-CD 3.47Å; R337-P339 VanDerWaalsContact O-N 3.08Å | ||
| 338 | V | 50 | Low | 64.3 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.655 | 67% | 0.665 | S | S | * | * | trans | -39.3 | 119 | 150.9 | 177 | 0 | 0 | 0 | 0 | 106.4 | D336 Y340 | D336-V338 PolarHBondContact O-N 3.34Å; V338-Y340 PolarHBondContact O-N 3.07Å | ||
| 339 | P | 61.4 | Low | 66.7 | Low | 118 Ų | 118 | 121.4 Ų | 121.4 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | trans | -62.5 | 104.1 | -178.3 | 23.4 | -32 | 0 | 0 | 0 | 107 | R337 G341 | R337-P339 WeakPolarHBondContact O-CD 3.47Å; R337-P339 VanDerWaalsContact O-N 3.08Å; P339-G341 VanDerWaalsContact C-N 3.31Å; P339-G341 PolarHBondContact O-N 3.39Å | ||
| 340 | Y | 56 | Low | 69.3 | Low | 215 Ų | 215 | 115.8 Ų | 115.8 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | trans | -65.8 | 96.9 | -172.3 | -162.9 | -86.5 | 0 | 0 | 0 | 107.3 | V338 I342 | V338-Y340 PolarHBondContact O-N 3.07Å; Y340-I342 PolarHBondContact O-N 2.81Å | ||
| 341 | G | 73.6 | Confident | 72.1 | Confident | 58 Ų | 58 | 112.7 Ų | 112.7 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | trans | -53.2 | 129.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P339 S343 | P339-G341 VanDerWaalsContact C-N 3.31Å; P339-G341 PolarHBondContact O-N 3.39Å; G341-S343 PolarHBondContact O-N 3.35Å | ||
| 342 | I | 83.9 | Confident | 74.3 | Confident | 85 Ų | 85 | 110 Ų | 110 | 44% | 0.436 | 59% | 0.589 | S | S | . | * | trans | -41 | 115.8 | -177.8 | -62.8 | 167.8 | 0 | 0 | 0 | 108.9 | Y340 E346 R347 | Y340-I342 PolarHBondContact O-N 2.81Å; I342-E346 HydrophobicContact CG2-CB 3.9Å; I342-E346 HydrophobicContact CG2-CG 3.52Å; I342-R347 HydrophobicContact CG2-CB 4.45Å; I342-R347 PolarHBondContact O-NH2 3.43Å; I342-R347 VanDerWaalsContact O-NH2 3.14Å | ||
| 343 | S | 89.9 | Confident | 76.5 | Confident | 50 Ų | 50 | 110.9 Ų | 110.9 | 35% | 0.35 | 59% | 0.586 | S | S | . | * | trans | -60.3 | 154.9 | -170.5 | 84.7 | 0 | 0 | 0 | 0 | 110.5 | G341 I345 E346 R347 | G341-S343 PolarHBondContact O-N 3.35Å; S343-I345 PolarHBondContact O-N 3.22Å; S343-I345 VanDerWaalsContact O-N 3.17Å; S343-I345 PolarHBondContact OG-N 2.96Å; S343-E346 PolarHBondContact O-N 2.66Å; S343-E346 VanDerWaalsContact O-N 3.13Å; S343-E346 PolarHBondContact OG-N 2.68Å; S343-E346 VanDerWaalsContact OG-N 3.08Å; S343-R347 PolarHBondContact O-N 3.03Å | ||
| 344 | A | 91.8 | Very high | 79.1 | Confident | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57 | -32.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N348 | A344-N348 WeakPolarHBondContact O-CB 3.42Å; A344-N348 PolarHBondContact O-N 3.24Å; A344-N348 PolarHBondContact O-ND2 3.08Å; A344-N348 PolarHBondContact O-OD1 3.31Å |
| 345 | I | 94.5 | Very high | 81.3 | Confident | 138 Ų | 138 | 116.1 Ų | 116.1 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.3 | -46.6 | 177.5 | -59.4 | 161 | 0 | 0 | 0 | 110.5 | S343 N348 A349 | S343-I345 PolarHBondContact O-N 3.22Å; S343-I345 VanDerWaalsContact O-N 3.17Å; S343-I345 PolarHBondContact OG-N 2.96Å; I345-N348 PolarHBondContact O-N 3.44Å; I345-A349 WeakPolarHBondContact O-CB 3.39Å; I345-A349 PolarHBondContact O-N 3.03Å |
| 346 | E | 96.7 | Very high | 83.9 | Confident | 79 Ų | 79 | 115.2 Ų | 115.2 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 176.7 | 175.4 | 62.3 | -168.2 | 0 | 0 | 111.5 | I342 S343 A349 R350 | I342-E346 HydrophobicContact CG2-CB 3.9Å; I342-E346 HydrophobicContact CG2-CG 3.52Å; S343-E346 PolarHBondContact O-N 2.66Å; S343-E346 VanDerWaalsContact O-N 3.13Å; S343-E346 PolarHBondContact OG-N 2.68Å; S343-E346 VanDerWaalsContact OG-N 3.08Å; E346-A349 PolarHBondContact O-N 3.07Å; E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 3.38Å; E346-R350 IonicContact OE1-CZ 2.65Å; E346-R350 IonicContact OE1-NE 2.62Å; E346-R350 PolarHBondContact OE1-NE 3.33Å; E346-R350 IonicContact OE1-NH2 3.7Å; E346-R350 PolarHBondContact OE1-NH2 3.38Å |
| 347 | R | 96.1 | Very high | 86.2 | Confident | 131 Ų | 131 | 112.3 Ų | 112.3 | 49% | 0.494 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -46.6 | 173.9 | -169.5 | -176.2 | -60.7 | 106.6 | 9.4 | 111.2 | I342 S343 A349 R350 I351 | I342-R347 HydrophobicContact CG2-CB 4.45Å; I342-R347 PolarHBondContact O-NH2 3.43Å; I342-R347 VanDerWaalsContact O-NH2 3.14Å; S343-R347 PolarHBondContact O-N 3.03Å; R347-A349 PolarHBondContact O-N 3.39Å; R347-R350 PolarHBondContact O-N 3.26Å; R347-I351 HydrophobicContact CG-CD1 4.13Å; R347-I351 WeakPolarHBondContact O-CG1 3.33Å; R347-I351 PolarHBondContact O-N 3.47Å |
| 348 | N | 96.6 | Very high | 88.4 | Confident | 93 Ų | 93 | 104.8 Ų | 104.8 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.7 | -70.4 | -3.7 | 0 | 0 | 0 | 111.6 | A344 I345 R350 I351 I352 | A344-N348 WeakPolarHBondContact O-CB 3.42Å; A344-N348 PolarHBondContact O-N 3.24Å; A344-N348 PolarHBondContact O-ND2 3.08Å; A344-N348 PolarHBondContact O-OD1 3.31Å; I345-N348 PolarHBondContact O-N 3.44Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.13Å; N348-I351 PolarHBondContact O-N 3.49Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.46Å; N348-I352 PolarHBondContact O-N 3.15Å |
| 349 | A | 98 | Very high | 90.4 | Very high | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I345 E346 R347 K353 | I345-A349 WeakPolarHBondContact O-CB 3.39Å; I345-A349 PolarHBondContact O-N 3.03Å; E346-A349 PolarHBondContact O-N 3.07Å; R347-A349 PolarHBondContact O-N 3.39Å; A349-K353 WeakPolarHBondContact O-CB 3.48Å; A349-K353 PolarHBondContact O-N 3.21Å |
| 350 | R | 97.4 | Very high | 91.6 | Very high | 136 Ų | 136 | 105.8 Ų | 105.8 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.3 | -71.1 | 177.1 | -170.4 | -155.6 | 1.4 | 112.4 | E346 R347 N348 I352 K353 W354 | E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 3.38Å; E346-R350 IonicContact OE1-CZ 2.65Å; E346-R350 IonicContact OE1-NE 2.62Å; E346-R350 PolarHBondContact OE1-NE 3.33Å; E346-R350 IonicContact OE1-NH2 3.7Å; E346-R350 PolarHBondContact OE1-NH2 3.38Å; R347-R350 PolarHBondContact O-N 3.26Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.13Å; R350-I352 PolarHBondContact O-N 3.11Å; R350-K353 PolarHBondContact O-N 3.47Å; R350-W354 VanDerWaalsContact O-CB 3.31Å; R350-W354 WeakPolarHBondContact O-CB 3.49Å; R350-W354 PolarHBondContact O-N 3.27Å |
| 351 | I | 97.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 98.1 Ų | 98.1 | 41% | 0.41 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.7 | -67.2 | 164 | 0 | 0 | 0 | 110.4 | R347 N348 W354 L355 | R347-I351 HydrophobicContact CG-CD1 4.13Å; R347-I351 WeakPolarHBondContact O-CG1 3.33Å; R347-I351 PolarHBondContact O-N 3.47Å; N348-I351 PolarHBondContact O-N 3.49Å; I351-W354 PolarHBondContact O-N 3.45Å; I351-L355 HydrophobicContact CG2-CD1 3.96Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 VanDerWaalsContact O-CG 3.32Å; I351-L355 WeakPolarHBondContact O-CG 3.4Å; I351-L355 PolarHBondContact O-N 3.42Å |
| 352 | I | 97.2 | Very high | 93 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 176.9 | -66.8 | 163.9 | 0 | 0 | 0 | 110.3 | N348 R350 W354 L355 Y356 | N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.46Å; N348-I352 PolarHBondContact O-N 3.15Å; R350-I352 PolarHBondContact O-N 3.11Å; I352-W354 VanDerWaalsContact C-N 3.29Å; I352-W354 PolarHBondContact O-N 3.35Å; I352-L355 PolarHBondContact O-N 3.01Å; I352-Y356 HydrophobicContact CG2-CD2 3.84Å; I352-Y356 HydrophobicContact CG2-CE2 3.97Å; I352-Y356 WeakPolarHBondContact O-CD2 3.26Å; I352-Y356 PolarHBondContact O-N 3.16Å |
| 353 | K | 97.4 | Very high | 92.9 | Very high | 163 Ų | 163 | 104.4 Ų | 104.4 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -40.5 | 178.6 | -174.8 | 178.2 | -68.8 | -174.7 | 0 | 112.1 | A349 R350 S357 | A349-K353 WeakPolarHBondContact O-CB 3.48Å; A349-K353 PolarHBondContact O-N 3.21Å; R350-K353 PolarHBondContact O-N 3.47Å; K353-S357 WeakPolarHBondContact O-CB 3.4Å; K353-S357 PolarHBondContact O-N 3.13Å |
| 354 | W | 97.8 | Very high | 92 | Very high | 167 Ų | 167 | 105.8 Ų | 105.8 | 63% | 0.633 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -45.8 | 177.4 | 179.9 | 66.7 | 0 | 0 | 0 | 112.4 | R350 I351 I352 Y356 S357 I358 | R350-W354 VanDerWaalsContact O-CB 3.31Å; R350-W354 WeakPolarHBondContact O-CB 3.49Å; R350-W354 PolarHBondContact O-N 3.27Å; I351-W354 PolarHBondContact O-N 3.45Å; I352-W354 VanDerWaalsContact C-N 3.29Å; I352-W354 PolarHBondContact O-N 3.35Å; W354-Y356 VanDerWaalsContact C-N 3.33Å; W354-Y356 PolarHBondContact O-N 2.85Å; W354-S357 WeakPolarHBondContact O-CB 3.32Å; W354-S357 PolarHBondContact O-N 2.92Å; W354-S357 VanDerWaalsContact O-N 3.12Å; W354-I358 HydrophobicContact CD2-CD1 3.55Å; W354-I358 HydrophobicContact CE3-CD1 3.86Å; W354-I358 HydrophobicContact CG-CD1 4.17Å; W354-I358 HydrophobicContact CH2-CD1 3.82Å; W354-I358 HydrophobicContact CZ2-CD1 3.5Å; W354-I358 VanDerWaalsContact CZ2-CD1 3.5Å; W354-I358 HydrophobicContact CZ3-CD1 3.98Å; W354-I358 WeakPolarHBondContact O-CG1 3.29Å; W354-I358 PolarHBondContact O-N 3.44Å |
| 355 | L | 97.3 | Very high | 90.6 | Very high | 96 Ų | 96 | 109.5 Ų | 109.5 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.4 | -70.8 | 172.3 | 0 | 0 | 0 | 112.2 | I351 I352 K359 | I351-L355 HydrophobicContact CG2-CD1 3.96Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 VanDerWaalsContact O-CG 3.32Å; I351-L355 WeakPolarHBondContact O-CG 3.4Å; I351-L355 PolarHBondContact O-N 3.42Å; I352-L355 PolarHBondContact O-N 3.01Å; L355-K359 WeakPolarHBondContact O-CB 3.37Å; L355-K359 PolarHBondContact O-N 3.46Å |
| 356 | Y | 96.6 | Very high | 88.9 | Confident | 148 Ų | 148 | 110.7 Ų | 110.7 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -35 | 173.7 | -89.3 | -87.4 | 0 | 0 | 0 | 112.9 | I352 W354 K359 Q360 | I352-Y356 HydrophobicContact CG2-CD2 3.84Å; I352-Y356 HydrophobicContact CG2-CE2 3.97Å; I352-Y356 WeakPolarHBondContact O-CD2 3.26Å; I352-Y356 PolarHBondContact O-N 3.16Å; W354-Y356 VanDerWaalsContact C-N 3.33Å; W354-Y356 PolarHBondContact O-N 2.85Å; Y356-K359 PolarHBondContact O-N 3.09Å; Y356-Q360 WeakPolarHBondContact O-CB 3.35Å; Y356-Q360 WeakPolarHBondContact O-CG 3.47Å; Y356-Q360 PolarHBondContact O-N 3.17Å; Y356-Q360 PolarHBondContact O-NE2 3.47Å |
| 357 | S | 94.8 | Very high | 87.1 | Confident | 70 Ų | 70 | 112.6 Ų | 112.6 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | K353 W354 K359 Q360 A361 | K353-S357 WeakPolarHBondContact O-CB 3.4Å; K353-S357 PolarHBondContact O-N 3.13Å; W354-S357 WeakPolarHBondContact O-CB 3.32Å; W354-S357 PolarHBondContact O-N 2.92Å; W354-S357 VanDerWaalsContact O-N 3.12Å; S357-K359 VanDerWaalsContact C-N 3.35Å; S357-K359 PolarHBondContact O-N 3.44Å; S357-Q360 PolarHBondContact O-N 3.41Å; S357-A361 PolarHBondContact O-N 3.33Å |
| 358 | I | 92.5 | Very high | 85.3 | Confident | 61 Ų | 61 | 110.8 Ų | 110.8 | 31% | 0.313 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.1 | -66.8 | 160.5 | 0 | 0 | 0 | 111 | W354 Q360 A361 R362 | W354-I358 HydrophobicContact CD2-CD1 3.55Å; W354-I358 HydrophobicContact CE3-CD1 3.86Å; W354-I358 HydrophobicContact CG-CD1 4.17Å; W354-I358 HydrophobicContact CH2-CD1 3.82Å; W354-I358 HydrophobicContact CZ2-CD1 3.5Å; W354-I358 VanDerWaalsContact CZ2-CD1 3.5Å; W354-I358 HydrophobicContact CZ3-CD1 3.98Å; W354-I358 WeakPolarHBondContact O-CG1 3.29Å; W354-I358 PolarHBondContact O-N 3.44Å; I358-Q360 PolarHBondContact O-N 2.88Å; I358-A361 PolarHBondContact O-N 3.31Å; I358-R362 HydrophobicContact CG2-CG 4.28Å; I358-R362 WeakPolarHBondContact O-CB 3.29Å; I358-R362 WeakPolarHBondContact O-CG 3.13Å; I358-R362 PolarHBondContact O-N 3.36Å |
| 359 | K | 90.8 | Very high | 83.2 | Confident | 122 Ų | 122 | 114.6 Ų | 114.6 | 53% | 0.53 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.9 | -48.7 | 177.8 | -172.5 | -170.7 | 169.8 | -166 | 0 | 110.6 | L355 Y356 S357 R362 E363 | L355-K359 WeakPolarHBondContact O-CB 3.37Å; L355-K359 PolarHBondContact O-N 3.46Å; Y356-K359 PolarHBondContact O-N 3.09Å; S357-K359 VanDerWaalsContact C-N 3.35Å; S357-K359 PolarHBondContact O-N 3.44Å; K359-R362 PolarHBondContact O-N 2.99Å; K359-E363 WeakPolarHBondContact CE-OE2 3.39Å; K359-E363 IonicContact NZ-OE2 3.97Å; K359-E363 WeakPolarHBondContact O-CB 3.44Å; K359-E363 PolarHBondContact O-N 2.9Å |
| 360 | Q | 87.6 | Confident | 80.7 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.8 | -46.9 | 178.2 | -75.2 | 178 | 106.5 | 0 | 0 | 111.8 | Y356 S357 I358 R362 E363 S364 | Y356-Q360 WeakPolarHBondContact O-CB 3.35Å; Y356-Q360 WeakPolarHBondContact O-CG 3.47Å; Y356-Q360 PolarHBondContact O-N 3.17Å; Y356-Q360 PolarHBondContact O-NE2 3.47Å; S357-Q360 PolarHBondContact O-N 3.41Å; I358-Q360 PolarHBondContact O-N 2.88Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.47Å; Q360-E363 PolarHBondContact O-N 3.37Å; Q360-E363 VanDerWaalsContact O-N 3.1Å; Q360-S364 WeakPolarHBondContact O-CB 3.25Å; Q360-S364 PolarHBondContact O-N 3.01Å; Q360-S364 PolarHBondContact O-OG 3.34Å; Q360-S364 VanDerWaalsContact O-OG 3.1Å |
| 361 | A | 77.6 | Confident | 79.9 | Confident | 53 Ų | 53 | 121.2 Ų | 121.2 | 44% | 0.438 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.5 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S357 I358 E363 Q365 | S357-A361 PolarHBondContact O-N 3.33Å; I358-A361 PolarHBondContact O-N 3.31Å; A361-E363 VanDerWaalsContact C-N 3.31Å; A361-E363 PolarHBondContact O-N 3.05Å; A361-Q365 WeakPolarHBondContact O-CG 3.42Å; A361-Q365 PolarHBondContact O-N 3.48Å; A361-Q365 VanDerWaalsContact O-N 3.07Å |
| 362 | R | 81.9 | Confident | 79 | Confident | 166 Ų | 166 | 123.4 Ų | 123.4 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.4 | -24.2 | 177.2 | -70.5 | -179.7 | 70.3 | -144.3 | 2.8 | 114 | I358 K359 Q360 | I358-R362 HydrophobicContact CG2-CG 4.28Å; I358-R362 WeakPolarHBondContact O-CB 3.29Å; I358-R362 WeakPolarHBondContact O-CG 3.13Å; I358-R362 PolarHBondContact O-N 3.36Å; K359-R362 PolarHBondContact O-N 2.99Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.47Å |
| 363 | E | 81 | Confident | 78 | Confident | 110 Ų | 110 | 124.9 Ų | 124.9 | 51% | 0.514 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -83.1 | -45.1 | 176.7 | -166.5 | 161.6 | 174.6 | 0 | 0 | 110.1 | K359 Q360 A361 Q365 K366 | K359-E363 WeakPolarHBondContact CE-OE2 3.39Å; K359-E363 IonicContact NZ-OE2 3.97Å; K359-E363 WeakPolarHBondContact O-CB 3.44Å; K359-E363 PolarHBondContact O-N 2.9Å; Q360-E363 PolarHBondContact O-N 3.37Å; Q360-E363 VanDerWaalsContact O-N 3.1Å; A361-E363 VanDerWaalsContact C-N 3.31Å; A361-E363 PolarHBondContact O-N 3.05Å; E363-Q365 VanDerWaalsContact C-N 3.35Å; E363-Q365 PolarHBondContact O-N 2.97Å; E363-K366 WeakPolarHBondContact O-CB 3.31Å; E363-K366 PolarHBondContact O-N 3.36Å |
| 364 | S | 71.4 | Confident | 76.8 | Confident | 78 Ų | 78 | 122.6 Ų | 122.6 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.3 | -40.3 | 173.8 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | Q360 K366 V367 S368 | Q360-S364 WeakPolarHBondContact O-CB 3.25Å; Q360-S364 PolarHBondContact O-N 3.01Å; Q360-S364 PolarHBondContact O-OG 3.34Å; Q360-S364 VanDerWaalsContact O-OG 3.1Å; S364-K366 PolarHBondContact O-N 3.06Å; S364-K366 VanDerWaalsContact O-N 3.15Å; S364-V367 PolarHBondContact O-N 3.45Å; S364-S368 PolarHBondContact O-N 3.11Å |
| 365 | Q | 62.6 | Low | 75.5 | Confident | 139 Ų | 139 | 119.9 Ų | 119.9 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.4 | -19.6 | 175.1 | -79.6 | -173.7 | -67.2 | 0 | 0 | 114.3 | A361 E363 S368 | A361-Q365 WeakPolarHBondContact O-CG 3.42Å; A361-Q365 PolarHBondContact O-N 3.48Å; A361-Q365 VanDerWaalsContact O-N 3.07Å; E363-Q365 VanDerWaalsContact C-N 3.35Å; E363-Q365 PolarHBondContact O-N 2.97Å; Q365-S368 PolarHBondContact O-OG 2.86Å |
| 366 | K | 59.4 | Low | 74.1 | Confident | 163 Ų | 163 | 121.5 Ų | 121.5 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.5 | -18.8 | 175.9 | -63.4 | -178 | 177.7 | -158.3 | 0 | 113.2 | E363 S364 | E363-K366 WeakPolarHBondContact O-CB 3.31Å; E363-K366 PolarHBondContact O-N 3.36Å; S364-K366 PolarHBondContact O-N 3.06Å; S364-K366 VanDerWaalsContact O-N 3.15Å |
| 367 | V | 58 | Low | 72.5 | Confident | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -91.5 | -24.1 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 111 | S364 H369 | S364-V367 PolarHBondContact O-N 3.45Å; V367-H369 VanDerWaalsContact C-N 3.32Å; V367-H369 PolarHBondContact O-N 3.41Å |
| 368 | S | 58.3 | Low | 70.8 | Confident | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -87.7 | 13.9 | 178.8 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | S364 Q365 | S364-S368 PolarHBondContact O-N 3.11Å; Q365-S368 PolarHBondContact O-OG 2.86Å |
| 369 | H | 52.6 | Low | 69 | Low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | trans | -130.1 | 60 | 179.3 | -147.8 | 34.9 | 0 | 0 | 0 | 111.1 | V367 | V367-H369 VanDerWaalsContact C-N 3.32Å; V367-H369 PolarHBondContact O-N 3.41Å | ||
| 370 | V | 46.3 | Very low | 67 | Low | 202 Ų | 202 | 129.2 Ų | 129.2 | 100% | 1.224 | 68% | 0.678 | S | S | * | * | trans | -136.6 | 0 | 167.8 | 176.5 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 370 of 370 residues in 121.1 ms
(Link to these results)