| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 41.6 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | 0 | 95.8 | 0 | -63.8 | 176 | -177.4 | 0 | 0 | 106.9 | |||||
| 2 | S | 40.4 | Very low | 41.7 | Very low | 98 Ų | 98 | 149 Ų | 149 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | 61.2 | 118.9 | 107.6 | -142 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | K | 44.2 | Very low | 41.2 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | -164.4 | 130.4 | 58.7 | -74.2 | 165 | -177.5 | 173.2 | 0 | 109.1 | |||||
| 4 | I | 49.1 | Very low | 41.4 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | 63 | 117.9 | 93.7 | -55.7 | 160.7 | 0 | 0 | 0 | 111.5 | |||||
| 5 | S | 39.2 | Very low | 41 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | -166.7 | 139.7 | 76.8 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 6 | K | 48.2 | Very low | 40.7 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -67 | 142.1 | 166.8 | -68.9 | 160 | 173.9 | 159.9 | 0 | 112.7 | ||||
| 7 | L | 41.2 | Very low | 41 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -171.9 | 130.9 | 147 | -88.5 | 126 | 0 | 0 | 0 | 103.7 | ||||
| 8 | F | 41.9 | Very low | 40.8 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | cis | -164.1 | 154.5 | 45.9 | -164 | -99.6 | 0 | 0 | 0 | 109.4 | ||||
| 9 | K | 43.8 | Very low | 41.2 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -104.7 | 129.6 | -170.8 | 167.1 | 176.2 | 175.9 | 176.1 | 0 | 109.5 | ||||
| 10 | G | 37.4 | Very low | 41 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 67.1 | 157.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 11 | G | 34.2 | Very low | 41.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 118 | 96.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 12 | S | 42.9 | Very low | 41.2 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -27.3 | 137.4 | 151.9 | 51.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 13 | S | 35.2 | Very low | 41.4 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | -179.3 | 134.9 | 127 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 14 | S | 43.8 | Very low | 41.5 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | 41 | 110.3 | 142.5 | 61 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 15 | G | 35.6 | Very low | 41.2 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -143.8 | 97.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 16 | S | 36.4 | Very low | 41.2 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 138.7 | 176.9 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 17 | S | 45.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 19 | 111.8 | 141.1 | 60.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 18 | S | 37.1 | Very low | 41.5 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -140.9 | 106.5 | 138 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S20 | S18-S20 PolarHBondContact O-N 3.47Š| ||
| 19 | S | 47.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 97.2 | 169.9 | 50 | 0 | 0 | 0 | 0 | 110.1 | S21 | S19-S21 PolarHBondContact O-N 3.01Š| ||
| 20 | S | 37.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -86.6 | 90.8 | 158.5 | 60 | 0 | 0 | 0 | 0 | 107.6 | S18 S22 | S18-S20 PolarHBondContact O-N 3.47Å; S20-S22 PolarHBondContact O-N 3.48Å | ||
| 21 | S | 43 | Very low | 43.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 94.6 | 165.2 | 70.8 | 0 | 0 | 0 | 0 | 107.6 | S19 K23 | S19-S21 PolarHBondContact O-N 3.01Å; S21-K23 PolarHBondContact O-N 3.33Å | ||
| 22 | S | 42.2 | Very low | 45.5 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -65.2 | 88.5 | 166 | -63.3 | 0 | 0 | 0 | 0 | 106.5 | S20 S24 | S20-S22 PolarHBondContact O-N 3.48Å; S22-S24 PolarHBondContact O-N 3.08Å | ||
| 23 | K | 44.6 | Very low | 47.2 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -59.6 | 93.9 | 173.9 | -142.9 | 168.4 | -170.2 | 171 | 0 | 105.4 | S21 K25 | S21-K23 PolarHBondContact O-N 3.33Å; K23-K25 VanDerWaalsContact C-N 3.27Å; K23-K25 PolarHBondContact O-N 3.23Å | ||
| 24 | S | 44.9 | Very low | 49.7 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -57.5 | 98.9 | 169.4 | 53.7 | 0 | 0 | 0 | 0 | 105.8 | S22 H26 | S22-S24 PolarHBondContact O-N 3.08Å; S24-H26 PolarHBondContact O-N 3.31Å | ||
| 25 | K | 42.9 | Very low | 51.7 | Low | 187 Ų | 187 | 121.1 Ų | 121.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -58.2 | 98.2 | 163.4 | -78.8 | -179.7 | 177.4 | 174.1 | 0 | 104.9 | K23 H27 | K23-K25 VanDerWaalsContact C-N 3.27Å; K23-K25 PolarHBondContact O-N 3.23Å; K25-H27 PolarHBondContact O-N 2.71Å | ||
| 26 | H | 40.4 | Very low | 54.2 | Low | 168 Ų | 168 | 123 Ų | 123 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | trans | -55.3 | 92.2 | 156.6 | -80.3 | -54.7 | 0 | 0 | 0 | 105.7 | S24 R28 | S24-H26 PolarHBondContact O-N 3.31Å; H26-R28 PolarHBondContact O-N 3.43Å | ||
| 27 | H | 46.6 | Very low | 56.8 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | trans | -55.9 | 97.6 | 147.4 | -86.9 | -83.1 | 0 | 0 | 0 | 104 | K25 S29 | K25-H27 PolarHBondContact O-N 2.71Å; H27-S29 VanDerWaalsContact C-N 3.29Å; H27-S29 PolarHBondContact O-N 2.94Å | ||
| 28 | R | 48.9 | Very low | 59 | Low | 230 Ų | 230 | 117.6 Ų | 117.6 | 87% | 0.868 | 67% | 0.67 | S | S | * | * | trans | -49.1 | 109.2 | 158.1 | -71.1 | 175.7 | 76.9 | -164.4 | 5 | 103.4 | H26 K30 | H26-R28 PolarHBondContact O-N 3.43Å; R28-K30 VanDerWaalsContact C-N 3.26Å; R28-K30 PolarHBondContact O-N 3.01Å | ||
| 29 | S | 50.2 | Low | 61.6 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 76% | 0.755 | 64% | 0.636 | S | S | * | * | trans | -52.5 | 105.2 | 163.8 | 50.9 | 0 | 0 | 0 | 0 | 104.4 | H27 G31 | H27-S29 VanDerWaalsContact C-N 3.29Å; H27-S29 PolarHBondContact O-N 2.94Å; S29-G31 PolarHBondContact O-N 2.54Å | ||
| 30 | K | 57.8 | Low | 63.9 | Low | 207 Ų | 207 | 112.3 Ų | 112.3 | 90% | 0.9 | 62% | 0.619 | S | S | * | * | trans | -57.1 | 104.4 | 154.3 | -78.4 | -172.1 | 174.3 | -176 | 0 | 102.2 | R28 | R28-K30 VanDerWaalsContact C-N 3.26Å; R28-K30 PolarHBondContact O-N 3.01Å | ||
| 31 | G | 60.7 | Low | 66.6 | Low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -49 | 148 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | S29 | S29-G31 PolarHBondContact O-N 2.54Š|
| 32 | G | 71.5 | Confident | 69.1 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -49 | 164 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S34 | G32-S34 PolarHBondContact O-N 2.87Š|
| 33 | P | 79 | Confident | 71.7 | Confident | 94 Ų | 94 | 111.3 Ų | 111.3 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -48 | 134.3 | 179.8 | 21.8 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 34 | S | 87.1 | Confident | 74.2 | Confident | 49 Ų | 49 | 107 Ų | 107 | 34% | 0.343 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 152.9 | 179.5 | 71 | 0 | 0 | 0 | 0 | 109.3 | G32 Q36 E37 A38 | G32-S34 PolarHBondContact O-N 2.87Å; S34-Q36 PolarHBondContact O-N 3.41Å; S34-E37 PolarHBondContact O-N 3.38Å; S34-E37 WeakPolarHBondContact OG-CB 3.28Å; S34-E37 PolarHBondContact OG-N 2.99Å; S34-A38 PolarHBondContact O-N 2.85Å |
| 35 | P | 86.1 | Confident | 76.6 | Confident | 66 Ų | 66 | 105.1 Ų | 105.1 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -52.1 | -39.4 | 173.7 | -28.3 | 35.6 | 0 | 0 | 0 | 112.1 | A38 I39 | P35-A38 PolarHBondContact O-N 3.46Å; P35-I39 WeakPolarHBondContact O-CB 3.32Å; P35-I39 WeakPolarHBondContact O-CD1 3.49Å; P35-I39 WeakPolarHBondContact O-CG1 3.47Å; P35-I39 PolarHBondContact O-N 3.49Å |
| 36 | Q | 87.7 | Confident | 79.1 | Confident | 120 Ų | 120 | 97.7 Ų | 97.7 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 176.7 | -66.2 | 168.4 | -15.8 | 0 | 0 | 112.8 | S34 H40 H115 | S34-Q36 PolarHBondContact O-N 3.41Å; Q36-H40 WeakPolarHBondContact O-CB 3.06Å; Q36-H40 PolarHBondContact O-N 3.39Å; Q36-H115 PolarHBondContact NE2-NE2 3.28Å |
| 37 | E | 90.8 | Very high | 81.8 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 175.6 | -171.3 | -177 | 171.1 | 0 | 0 | 111.3 | S34 H40 R41 | S34-E37 PolarHBondContact O-N 3.38Å; S34-E37 WeakPolarHBondContact OG-CB 3.28Å; S34-E37 PolarHBondContact OG-N 2.99Å; E37-H40 PolarHBondContact O-N 3.28Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.02Å; E37-R41 VanDerWaalsContact O-N 3.1Å; E37-R41 IonicContact OE1-CZ 3.87Å; E37-R41 IonicContact OE1-NE 3.57Å; E37-R41 PolarHBondContact OE1-NE 3Å; E37-R41 IonicContact OE1-NH2 3.37Å; E37-R41 PolarHBondContact OE1-NH2 3.41Å |
| 38 | A | 91.8 | Very high | 84.2 | Confident | 25 Ų | 25 | 91.8 Ų | 91.8 | 21% | 0.207 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S34 P35 H40 R41 L42 L111 | S34-A38 PolarHBondContact O-N 2.85Å; P35-A38 PolarHBondContact O-N 3.46Å; A38-H40 VanDerWaalsContact C-N 3.33Å; A38-H40 PolarHBondContact O-N 3.47Å; A38-R41 PolarHBondContact O-N 2.98Å; A38-L42 WeakPolarHBondContact O-CG 3.34Å; A38-L42 PolarHBondContact O-N 3.16Å; A38-L111 HydrophobicContact CB-CD1 3.94Å |
| 39 | I | 92.8 | Very high | 86.4 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 8% | 0.077 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 176 | -69.6 | 160.4 | 0 | 0 | 0 | 110.6 | P35 R41 L42 R43 R108 L111 E112 | P35-I39 WeakPolarHBondContact O-CB 3.32Å; P35-I39 WeakPolarHBondContact O-CD1 3.49Å; P35-I39 WeakPolarHBondContact O-CG1 3.47Å; P35-I39 PolarHBondContact O-N 3.49Å; I39-R41 PolarHBondContact O-N 3.18Å; I39-L42 PolarHBondContact O-N 3.04Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.44Å; I39-R108 HydrophobicContact CG2-CG 4.33Å; I39-L111 HydrophobicContact CD1-CB 4.31Å; I39-L111 HydrophobicContact CG1-CB 3.9Å; I39-E112 HydrophobicContact CD1-CG 3.71Å; I39-E112 HydrophobicContact CG1-CG 4.01Å; I39-E112 HydrophobicContact CG2-CG 4.09Å; I39-E112 WeakPolarHBondContact CG2-OE1 3.27Å |
| 40 | H | 94.7 | Very high | 88.6 | Confident | 109 Ų | 109 | 78.9 Ų | 78.9 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 177.8 | -174.9 | -85.1 | 0 | 0 | 0 | 112.1 | Q36 E37 A38 L42 R43 E44 | Q36-H40 WeakPolarHBondContact O-CB 3.06Å; Q36-H40 PolarHBondContact O-N 3.39Å; E37-H40 PolarHBondContact O-N 3.28Å; A38-H40 VanDerWaalsContact C-N 3.33Å; A38-H40 PolarHBondContact O-N 3.47Å; H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 3.41Å; H40-R43 PolarHBondContact O-N 3.39Å; H40-E44 IonicContact CE1-OE1 2.74Å; H40-E44 PolarHBondContact CE1-OE1 3.42Å; H40-E44 IonicContact CE1-OE2 3.49Å; H40-E44 IonicContact ND1-OE1 3.53Å; H40-E44 IonicContact ND1-OE2 2.98Å; H40-E44 PolarHBondContact ND1-OE2 3.17Å; H40-E44 WeakPolarHBondContact O-CG 3.38Å; H40-E44 PolarHBondContact O-N 3.47Å |
| 41 | R | 94.7 | Very high | 90.5 | Very high | 140 Ų | 140 | 74.7 Ų | 74.7 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 179.1 | -70.8 | 179.5 | -175.2 | -147.4 | 6.3 | 112.9 | E37 A38 I39 E44 T45 | E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.02Å; E37-R41 VanDerWaalsContact O-N 3.1Å; E37-R41 IonicContact OE1-CZ 3.87Å; E37-R41 IonicContact OE1-NE 3.57Å; E37-R41 PolarHBondContact OE1-NE 3Å; E37-R41 IonicContact OE1-NH2 3.37Å; E37-R41 PolarHBondContact OE1-NH2 3.41Å; A38-R41 PolarHBondContact O-N 2.98Å; I39-R41 PolarHBondContact O-N 3.18Å; R41-E44 PolarHBondContact O-N 3.23Å; R41-T45 WeakPolarHBondContact O-CB 3.37Å; R41-T45 PolarHBondContact O-N 3.15Å; R41-T45 PolarHBondContact O-OG1 2.86Å |
| 42 | L | 95.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 76.9 Ų | 76.9 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 175 | -71.7 | 168.9 | 0 | 0 | 0 | 110.6 | A38 I39 H40 E44 T45 E46 I104 Q107 R108 L111 | A38-L42 WeakPolarHBondContact O-CG 3.34Å; A38-L42 PolarHBondContact O-N 3.16Å; I39-L42 PolarHBondContact O-N 3.04Å; H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 3.41Å; L42-E44 PolarHBondContact O-N 3.29Å; L42-T45 WeakPolarHBondContact O-CB 3.5Å; L42-T45 PolarHBondContact O-N 3.07Å; L42-T45 VanDerWaalsContact O-N 3.12Å; L42-E46 WeakPolarHBondContact O-CB 3.45Å; L42-E46 PolarHBondContact O-N 2.92Å; L42-I104 HydrophobicContact CB-CG2 4.28Å; L42-I104 HydrophobicContact CD2-CG2 3.99Å; L42-Q107 HydrophobicContact CD1-CB 4.41Å; L42-R108 HydrophobicContact CB-CB 4.19Å; L42-R108 HydrophobicContact CB-CG 4.43Å; L42-R108 HydrophobicContact CD1-CB 4.09Å; L42-L111 HydrophobicContact CD1-CD1 3.67Å |
| 43 | R | 96.1 | Very high | 93.3 | Very high | 132 Ų | 132 | 75.9 Ų | 75.9 | 50% | 0.498 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.2 | -69 | 177.2 | -178.7 | -162.7 | -1.4 | 113 | I39 H40 T45 E46 E47 R108 E112 | I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.44Å; H40-R43 PolarHBondContact O-N 3.39Å; R43-T45 VanDerWaalsContact C-N 3.28Å; R43-T45 PolarHBondContact O-N 3.31Å; R43-E46 PolarHBondContact O-N 3.12Å; R43-E47 PolarHBondContact O-N 2.99Å; R43-R108 HydrophobicContact CG-CG 4.49Å; R43-E112 IonicContact CZ-OE1 3.44Å; R43-E112 IonicContact NE-OE1 3.79Å; R43-E112 PolarHBondContact NE-OE1 3.23Å; R43-E112 IonicContact NH2-OE1 3.61Å; R43-E112 PolarHBondContact NH2-OE1 3.34Å |
| 44 | E | 97.1 | Very high | 94.2 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 174.4 | -71.8 | 178.2 | 138.2 | 0 | 0 | 112 | H40 R41 L42 M48 | H40-E44 IonicContact CE1-OE1 2.74Å; H40-E44 PolarHBondContact CE1-OE1 3.42Å; H40-E44 IonicContact CE1-OE2 3.49Å; H40-E44 IonicContact ND1-OE1 3.53Å; H40-E44 IonicContact ND1-OE2 2.98Å; H40-E44 PolarHBondContact ND1-OE2 3.17Å; H40-E44 WeakPolarHBondContact O-CG 3.38Å; H40-E44 PolarHBondContact O-N 3.47Å; R41-E44 PolarHBondContact O-N 3.23Å; L42-E44 PolarHBondContact O-N 3.29Å; E44-M48 WeakPolarHBondContact O-CB 3.4Å; E44-M48 PolarHBondContact O-N 3.25Å; E44-M48 VanDerWaalsContact O-N 3.14Å |
| 45 | T | 95 | Very high | 94.7 | Very high | 50 Ų | 50 | 79.4 Ų | 79.4 | 31% | 0.307 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.1 | -41.9 | 179.4 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | R41 L42 R43 M48 L49 I104 | R41-T45 WeakPolarHBondContact O-CB 3.37Å; R41-T45 PolarHBondContact O-N 3.15Å; R41-T45 PolarHBondContact O-OG1 2.86Å; L42-T45 WeakPolarHBondContact O-CB 3.5Å; L42-T45 PolarHBondContact O-N 3.07Å; L42-T45 VanDerWaalsContact O-N 3.12Å; R43-T45 VanDerWaalsContact C-N 3.28Å; R43-T45 PolarHBondContact O-N 3.31Å; T45-M48 HydrophobicContact CG2-CE 4.13Å; T45-M48 PolarHBondContact O-N 2.91Å; T45-L49 HydrophobicContact CG2-CD1 4.24Å; T45-L49 HydrophobicContact CG2-CG 4.5Å; T45-L49 WeakPolarHBondContact O-CG 3.38Å; T45-L49 PolarHBondContact O-N 2.89Å; T45-I104 HydrophobicContact CG2-CD1 3.68Å |
| 46 | E | 96.2 | Very high | 95.1 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.2 | -52.5 | 173.2 | -175.7 | -174.5 | 167.5 | 0 | 0 | 110.9 | L42 R43 M48 L49 T50 L101 I104 E105 R108 | L42-E46 WeakPolarHBondContact O-CB 3.45Å; L42-E46 PolarHBondContact O-N 2.92Å; R43-E46 PolarHBondContact O-N 3.12Å; E46-M48 VanDerWaalsContact C-N 3.25Å; E46-M48 PolarHBondContact O-N 3.16Å; E46-L49 CarbonylContact O-C 3.55Å; E46-L49 PolarHBondContact O-N 3.01Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 3.37Å; E46-L101 HydrophobicContact CB-CD1 4.42Å; E46-L101 HydrophobicContact CG-CD1 3.91Å; E46-I104 HydrophobicContact CB-CG2 4.33Å; E46-E105 HydrophobicContact CG-CG 4.46Å; E46-R108 IonicContact OE1-CZ 3.37Å; E46-R108 IonicContact OE1-NH1 2.63Å; E46-R108 PolarHBondContact OE1-NH1 2.89Å; E46-R108 IonicContact OE2-CZ 3.75Å; E46-R108 IonicContact OE2-NH1 2.77Å; E46-R108 PolarHBondContact OE2-NH1 2.77Å |
| 47 | E | 97.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 74.4 Ų | 74.4 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -39.4 | 178.1 | -168.2 | -169.9 | 165.3 | 0 | 0 | 112.1 | R43 K51 | R43-E47 PolarHBondContact O-N 2.99Å; E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 3.19Å; E47-K51 VanDerWaalsContact OE1-CE 3.29Å; E47-K51 WeakPolarHBondContact OE1-CE 3.28Å; E47-K51 IonicContact OE1-NZ 3.11Å; E47-K51 PolarHBondContact OE1-NZ 3.22Å |
| 48 | M | 96.4 | Very high | 95.9 | Very high | 106 Ų | 106 | 76 Ų | 76 | 52% | 0.522 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176 | 178.8 | -107.4 | -62.8 | 0 | 0 | 112.4 | E44 T45 E46 K52 | E44-M48 WeakPolarHBondContact O-CB 3.4Å; E44-M48 PolarHBondContact O-N 3.25Å; E44-M48 VanDerWaalsContact O-N 3.14Å; T45-M48 HydrophobicContact CG2-CE 4.13Å; T45-M48 PolarHBondContact O-N 2.91Å; E46-M48 VanDerWaalsContact C-N 3.25Å; E46-M48 PolarHBondContact O-N 3.16Å; M48-K52 WeakPolarHBondContact O-CB 3.38Å; M48-K52 PolarHBondContact O-N 3.03Å; M48-K52 VanDerWaalsContact O-N 3.12Å |
| 49 | L | 95.7 | Very high | 96.1 | Very high | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 177.1 | -72.1 | 175.8 | 0 | 0 | 0 | 111.8 | T45 E46 K51 K52 Q53 I97 T100 L101 I104 | T45-L49 HydrophobicContact CG2-CD1 4.24Å; T45-L49 HydrophobicContact CG2-CG 4.5Å; T45-L49 WeakPolarHBondContact O-CG 3.38Å; T45-L49 PolarHBondContact O-N 2.89Å; E46-L49 CarbonylContact O-C 3.55Å; E46-L49 PolarHBondContact O-N 3.01Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-K52 CarbonylContact O-C 3.55Å; L49-K52 WeakPolarHBondContact O-CA 3.32Å; L49-K52 WeakPolarHBondContact O-CB 3.48Å; L49-K52 PolarHBondContact O-N 2.84Å; L49-K52 VanDerWaalsContact O-N 3.08Å; L49-Q53 PolarHBondContact O-N 3.4Å; L49-I97 HydrophobicContact CB-CG2 4.32Å; L49-I97 HydrophobicContact CD2-CG2 4.38Å; L49-T100 HydrophobicContact CD1-CG2 3.99Å; L49-L101 HydrophobicContact CB-CD1 3.64Å; L49-L101 HydrophobicContact CD1-CD1 4.31Å; L49-I104 HydrophobicContact CD1-CD1 3.44Å; L49-I104 VanDerWaalsContact CD1-CD1 3.44Å |
| 50 | T | 96.7 | Very high | 96.3 | Very high | 51 Ų | 51 | 79.2 Ų | 79.2 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.3 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | E46 K52 Q53 E54 | E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 3.37Å; T50-K52 PolarHBondContact O-N 3.38Å; T50-Q53 WeakPolarHBondContact O-CB 3.47Å; T50-Q53 PolarHBondContact O-N 2.91Å; T50-Q53 VanDerWaalsContact O-N 3.12Å; T50-E54 PolarHBondContact O-N 2.86Å |
| 51 | K | 97.7 | Very high | 96.4 | Very high | 118 Ų | 118 | 80.4 Ų | 80.4 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -35.9 | 174.7 | -74 | 172.8 | -174.4 | 166 | 0 | 112.4 | E47 L49 Y55 | E47-K51 WeakPolarHBondContact O-CG 3.48Å; E47-K51 PolarHBondContact O-N 3.19Å; E47-K51 VanDerWaalsContact OE1-CE 3.29Å; E47-K51 WeakPolarHBondContact OE1-CE 3.28Å; E47-K51 IonicContact OE1-NZ 3.11Å; E47-K51 PolarHBondContact OE1-NZ 3.22Å; L49-K51 PolarHBondContact O-N 3.28Å; K51-Y55 WeakPolarHBondContact O-CB 3.47Å; K51-Y55 PolarHBondContact O-N 2.82Å; K51-Y55 VanDerWaalsContact O-N 3.17Å |
| 52 | K | 94.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 79.6 Ų | 79.6 | 47% | 0.47 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -38.1 | 177.4 | -169 | -179.7 | 173.2 | -168.7 | 0 | 111.6 | M48 L49 T50 Y55 L56 I97 | M48-K52 WeakPolarHBondContact O-CB 3.38Å; M48-K52 PolarHBondContact O-N 3.03Å; M48-K52 VanDerWaalsContact O-N 3.12Å; L49-K52 CarbonylContact O-C 3.55Å; L49-K52 WeakPolarHBondContact O-CA 3.32Å; L49-K52 WeakPolarHBondContact O-CB 3.48Å; L49-K52 PolarHBondContact O-N 2.84Å; L49-K52 VanDerWaalsContact O-N 3.08Å; T50-K52 PolarHBondContact O-N 3.38Å; K52-Y55 PolarHBondContact O-N 3.43Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 2.88Å; K52-I97 HydrophobicContact CB-CD1 4.24Å; K52-I97 HydrophobicContact CD-CD1 3.55Å; K52-I97 HydrophobicContact CD-CG1 4.49Å; K52-I97 HydrophobicContact CG-CD1 3.66Å |
| 53 | Q | 96.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 79.1 Ų | 79.1 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -55 | 173.3 | -170.9 | -171.1 | -27.8 | 0 | 0 | 110.3 | L49 T50 Y55 L56 E57 L94 I97 | L49-Q53 PolarHBondContact O-N 3.4Å; T50-Q53 WeakPolarHBondContact O-CB 3.47Å; T50-Q53 PolarHBondContact O-N 2.91Å; T50-Q53 VanDerWaalsContact O-N 3.12Å; Q53-Y55 PolarHBondContact O-N 3.28Å; Q53-L56 WeakPolarHBondContact O-CB 3.31Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-E57 PolarHBondContact NE2-OE1 3.39Å; Q53-E57 WeakPolarHBondContact O-CG 3.37Å; Q53-E57 PolarHBondContact O-N 3.1Å; Q53-L94 HydrophobicContact CB-CD1 4.27Å; Q53-L94 HydrophobicContact CG-CD1 3.44Å; Q53-L94 VanDerWaalsContact CG-CD1 3.44Å; Q53-L94 HydrophobicContact CG-CG 4.5Å; Q53-I97 HydrophobicContact CB-CG2 4.21Å |
| 54 | E | 97.2 | Very high | 96 | Very high | 88 Ų | 88 | 74.8 Ų | 74.8 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.8 | -39.2 | 177.6 | -70.5 | -177.9 | -157.3 | 0 | 0 | 112.7 | T50 K58 | T50-E54 PolarHBondContact O-N 2.86Å; E54-K58 WeakPolarHBondContact O-CB 3.31Å; E54-K58 WeakPolarHBondContact O-CG 3.42Å; E54-K58 PolarHBondContact O-N 3.46Å; E54-K58 IonicContact OE2-NZ 2.69Å |
| 55 | Y | 97.1 | Very high | 95.8 | Very high | 129 Ų | 129 | 72.5 Ų | 72.5 | 51% | 0.506 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.6 | 171.3 | -97.3 | 0 | 0 | 0 | 111.9 | K51 K52 Q53 R59 | K51-Y55 WeakPolarHBondContact O-CB 3.47Å; K51-Y55 PolarHBondContact O-N 2.82Å; K51-Y55 VanDerWaalsContact O-N 3.17Å; K52-Y55 PolarHBondContact O-N 3.43Å; Q53-Y55 PolarHBondContact O-N 3.28Å; Y55-R59 HydrophobicContact CE1-CG 4.22Å; Y55-R59 HydrophobicContact CE2-CG 4.34Å; Y55-R59 VanDerWaalsContact CZ-CD 3.43Å; Y55-R59 WeakPolarHBondContact O-CG 3.42Å; Y55-R59 PolarHBondContact O-N 3.31Å; Y55-R59 WeakPolarHBondContact OH-CD 3.18Å; Y55-R59 PolarHBondContact OH-NH1 3.13Å |
| 56 | L | 96 | Very high | 95.4 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 177.6 | -72.3 | -177.7 | 0 | 0 | 0 | 111.6 | K52 Q53 R59 I60 L90 Q93 L94 I97 | K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 2.88Å; Q53-L56 WeakPolarHBondContact O-CB 3.31Å; Q53-L56 PolarHBondContact O-N 3.08Å; L56-R59 WeakPolarHBondContact O-CB 3.43Å; L56-R59 PolarHBondContact O-N 3.01Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.21Å; L56-L90 HydrophobicContact CD2-CD2 3.72Å; L56-Q93 HydrophobicContact CD1-CB 3.87Å; L56-L94 HydrophobicContact CB-CD1 3.95Å; L56-L94 HydrophobicContact CD1-CD1 4.38Å; L56-I97 HydrophobicContact CD1-CD1 3.49Å; L56-I97 VanDerWaalsContact CD1-CD1 3.49Å |
| 57 | E | 96.9 | Very high | 95 | Very high | 73 Ų | 73 | 71.9 Ų | 71.9 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.1 | -51.6 | 175.4 | -71.1 | 169.7 | 177.1 | 0 | 0 | 111.2 | Q53 R59 I60 E61 L94 | Q53-E57 PolarHBondContact NE2-OE1 3.39Å; Q53-E57 WeakPolarHBondContact O-CG 3.37Å; Q53-E57 PolarHBondContact O-N 3.1Å; E57-R59 PolarHBondContact O-N 3.17Å; E57-I60 WeakPolarHBondContact O-CB 3.36Å; E57-I60 PolarHBondContact O-N 2.98Å; E57-E61 PolarHBondContact O-N 3.46Å; E57-L94 HydrophobicContact CG-CD1 3.9Å; E57-L94 HydrophobicContact CG-CD2 3.97Å |
| 58 | K | 97.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 74 Ų | 74 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.7 | -38 | 175 | -74.6 | 167.5 | -177.6 | 153.5 | 0 | 112.2 | E54 Q62 | E54-K58 WeakPolarHBondContact O-CB 3.31Å; E54-K58 WeakPolarHBondContact O-CG 3.42Å; E54-K58 PolarHBondContact O-N 3.46Å; E54-K58 IonicContact OE2-NZ 2.69Å; K58-Q62 WeakPolarHBondContact O-CG 3.41Å; K58-Q62 PolarHBondContact O-N 3.23Å |
| 59 | R | 96.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 75.8 Ų | 75.8 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | 175.6 | -77.4 | -162.5 | 70.7 | 166.2 | 4.6 | 113.1 | Y55 L56 E57 E61 Q62 E63 L90 | Y55-R59 HydrophobicContact CE1-CG 4.22Å; Y55-R59 HydrophobicContact CE2-CG 4.34Å; Y55-R59 VanDerWaalsContact CZ-CD 3.43Å; Y55-R59 WeakPolarHBondContact O-CG 3.42Å; Y55-R59 PolarHBondContact O-N 3.31Å; Y55-R59 WeakPolarHBondContact OH-CD 3.18Å; Y55-R59 PolarHBondContact OH-NH1 3.13Å; L56-R59 WeakPolarHBondContact O-CB 3.43Å; L56-R59 PolarHBondContact O-N 3.01Å; E57-R59 PolarHBondContact O-N 3.17Å; R59-E61 VanDerWaalsContact C-N 3.32Å; R59-Q62 PolarHBondContact O-N 3.09Å; R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 3.16Å; R59-L90 HydrophobicContact CB-CD1 3.92Å |
| 60 | I | 95.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 77 Ų | 77 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.9 | -74.2 | 161.3 | 0 | 0 | 0 | 109.4 | L56 E57 Q62 E63 V64 K87 L90 E91 L94 | L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.21Å; E57-I60 WeakPolarHBondContact O-CB 3.36Å; E57-I60 PolarHBondContact O-N 2.98Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.46Å; I60-E63 PolarHBondContact O-N 3.17Å; I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.39Å; I60-V64 PolarHBondContact O-N 3.08Å; I60-K87 HydrophobicContact CG2-CG 4.22Å; I60-L90 HydrophobicContact CD1-CB 4.06Å; I60-L90 HydrophobicContact CG1-CB 3.57Å; I60-L90 HydrophobicContact CG1-CD1 4.24Å; I60-E91 HydrophobicContact CD1-CG 3.82Å; I60-E91 HydrophobicContact CG1-CG 4.28Å; I60-L94 HydrophobicContact CD1-CD2 4.09Å |
| 61 | E | 96.4 | Very high | 92.1 | Very high | 134 Ų | 134 | 77.3 Ų | 77.3 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.6 | -43.4 | 176 | -69.7 | -179.6 | 171 | 0 | 0 | 112.6 | E57 R59 V64 A65 | E57-E61 PolarHBondContact O-N 3.46Å; R59-E61 VanDerWaalsContact C-N 3.32Å; E61-V64 WeakPolarHBondContact O-CB 3.46Å; E61-V64 PolarHBondContact O-N 3.4Å; E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 94.9 | Very high | 90.7 | Very high | 122 Ų | 122 | 77.1 Ų | 77.1 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 176.3 | -71.1 | 172.3 | 6.1 | 0 | 0 | 112.6 | K58 R59 I60 V64 A65 T66 | K58-Q62 WeakPolarHBondContact O-CG 3.41Å; K58-Q62 PolarHBondContact O-N 3.23Å; R59-Q62 PolarHBondContact O-N 3.09Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.46Å; Q62-V64 VanDerWaalsContact C-N 3.34Å; Q62-A65 PolarHBondContact O-N 2.99Å; Q62-T66 WeakPolarHBondContact O-CB 3.33Å; Q62-T66 PolarHBondContact O-N 2.88Å; Q62-T66 PolarHBondContact O-OG1 3.06Å |
| 63 | E | 90.9 | Very high | 89.2 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 176.7 | -66.5 | -69 | 174.2 | 0 | 0 | 111.1 | R59 I60 T66 A67 A83 R86 K87 L90 | R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 3.16Å; I60-E63 PolarHBondContact O-N 3.17Å; E63-T66 PolarHBondContact O-N 3Å; E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 2.81Å; E63-A83 WeakPolarHBondContact OE2-CA 3.49Å; E63-R86 HydrophobicContact CG-CB 4.27Å; E63-R86 WeakPolarHBondContact OE1-CD 3.42Å; E63-K87 HydrophobicContact CB-CB 4.19Å; E63-L90 HydrophobicContact CG-CD1 4.09Å |
| 64 | V | 93.4 | Very high | 87.2 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 24% | 0.242 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 172 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I60 E61 Q62 T66 A67 K68 K87 | I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 VanDerWaalsContact O-CG2 3.32Å; I60-V64 WeakPolarHBondContact O-CG2 3.39Å; I60-V64 PolarHBondContact O-N 3.08Å; E61-V64 WeakPolarHBondContact O-CB 3.46Å; E61-V64 PolarHBondContact O-N 3.4Å; Q62-V64 VanDerWaalsContact C-N 3.34Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.16Å; V64-A67 PolarHBondContact O-N 3.33Å; V64-K68 HydrophobicContact CG1-CD 4.16Å; V64-K68 WeakPolarHBondContact O-CG 3.47Å; V64-K68 PolarHBondContact O-N 3.02Å; V64-K87 HydrophobicContact CG2-CD 3.61Å |
| 65 | A | 92.1 | Very high | 85.2 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E61 Q62 K68 K69 | E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.47Å; Q62-A65 PolarHBondContact O-N 2.99Å; A65-K68 PolarHBondContact O-N 2.85Å; A65-K69 WeakPolarHBondContact O-CB 3.47Å; A65-K69 PolarHBondContact O-N 2.93Å |
| 66 | T | 87.9 | Confident | 83.2 | Confident | 56 Ų | 56 | 88.5 Ų | 88.5 | 34% | 0.344 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 175.3 | -58 | 0 | 0 | 0 | 0 | 111.3 | Q62 E63 V64 K68 K69 H70 A83 | Q62-T66 WeakPolarHBondContact O-CB 3.33Å; Q62-T66 PolarHBondContact O-N 2.88Å; Q62-T66 PolarHBondContact O-OG1 3.06Å; E63-T66 PolarHBondContact O-N 3Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.16Å; T66-K68 PolarHBondContact O-N 3.23Å; T66-K69 PolarHBondContact O-N 3.18Å; T66-H70 WeakPolarHBondContact O-CB 3.47Å; T66-H70 PolarHBondContact O-CD2 2.85Å; T66-H70 PolarHBondContact O-N 3.32Å; T66-A83 HydrophobicContact CG2-CB 4.25Å |
| 67 | A | 87.9 | Confident | 81.6 | Confident | 13 Ų | 13 | 90.9 Ų | 90.9 | 11% | 0.107 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E63 V64 H70 G71 A83 L84 | E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 2.81Å; V64-A67 PolarHBondContact O-N 3.33Å; A67-H70 PolarHBondContact O-N 3.13Å; A67-G71 PolarHBondContact O-N 2.89Å; A67-A83 HydrophobicContact CB-CB 4.09Å; A67-L84 HydrophobicContact CB-CD2 4Å; A67-L84 HydrophobicContact CB-CG 4.13Å |
| 68 | K | 87.3 | Confident | 80.7 | Confident | 152 Ų | 152 | 92.5 Ų | 92.5 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | 176.2 | -72.6 | 176.4 | 179 | 178.5 | 0 | 112 | V64 A65 T66 H70 G71 | V64-K68 HydrophobicContact CG1-CD 4.16Å; V64-K68 WeakPolarHBondContact O-CG 3.47Å; V64-K68 PolarHBondContact O-N 3.02Å; A65-K68 PolarHBondContact O-N 2.85Å; T66-K68 PolarHBondContact O-N 3.23Å; K68-H70 VanDerWaalsContact C-N 3.32Å; K68-H70 PolarHBondContact O-N 2.97Å; K68-G71 PolarHBondContact O-N 3.23Å |
| 69 | K | 86.1 | Confident | 79.8 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 180 | -175.5 | 176.5 | -177.6 | 175.1 | 0 | 113.2 | A65 T66 T72 | A65-K69 WeakPolarHBondContact O-CB 3.47Å; A65-K69 PolarHBondContact O-N 2.93Å; T66-K69 PolarHBondContact O-N 3.18Å; K69-T72 PolarHBondContact O-OG1 3.03Å |
| 70 | H | 79.9 | Confident | 79.1 | Confident | 43 Ų | 43 | 85 Ų | 85 | 20% | 0.199 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -90.7 | -21.8 | -179.1 | -73.8 | -98.8 | 0 | 0 | 0 | 113.2 | T66 A67 K68 R76 A79 A80 | T66-H70 WeakPolarHBondContact O-CB 3.47Å; T66-H70 PolarHBondContact O-CD2 2.85Å; T66-H70 PolarHBondContact O-N 3.32Å; A67-H70 PolarHBondContact O-N 3.13Å; K68-H70 VanDerWaalsContact C-N 3.32Å; K68-H70 PolarHBondContact O-N 2.97Å; H70-R76 VanDerWaalsContact O-CB 3.28Å; H70-R76 WeakPolarHBondContact O-CB 3.44Å; H70-A79 HydrophobicContact CB-CB 4.38Å; H70-A80 HydrophobicContact CB-CB 4.24Å |
| 71 | G | 70.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 88.3 Ų | 88.3 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.2 | -28 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A67 K68 K73 | A67-G71 PolarHBondContact O-N 2.89Å; K68-G71 PolarHBondContact O-N 3.23Å; G71-K73 VanDerWaalsContact C-N 3.35Å; G71-K73 PolarHBondContact O-N 2.74Å |
| 72 | T | 69.1 | Low | 78.2 | Confident | 115 Ų | 115 | 87.2 Ų | 87.2 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.8 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | K69 | K69-T72 PolarHBondContact O-OG1 3.03Š|
| 73 | K | 63.2 | Low | 77.9 | Confident | 124 Ų | 124 | 81.5 Ų | 81.5 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -108.9 | 114.2 | 179.6 | -68.4 | -174.8 | -179.6 | -174.7 | 0 | 110.3 | G71 K75 R76 | G71-K73 VanDerWaalsContact C-N 3.35Å; G71-K73 PolarHBondContact O-N 2.74Å; K73-K75 PolarHBondContact O-N 3.12Å; K73-R76 PolarHBondContact O-N 2.78Å |
| 74 | N | 53.9 | Low | 77.9 | Confident | 174 Ų | 174 | 85.2 Ų | 85.2 | 93% | 0.93 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 3.6 | -172 | -102.9 | 5.4 | 0 | 0 | 0 | 119.9 | ||
| 75 | K | 55.8 | Low | 77.8 | Confident | 206 Ų | 206 | 90.2 Ų | 90.2 | 90% | 0.896 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 20.9 | -179.2 | -69.6 | -173.3 | 176.3 | -177.1 | 0 | 114.5 | K73 | K73-K75 PolarHBondContact O-N 3.12Š|
| 76 | R | 55.2 | Low | 77.8 | Confident | 101 Ų | 101 | 93 Ų | 93 | 38% | 0.381 | 49% | 0.485 | S | S | . | . | trans | -129.6 | 24.3 | -162.7 | -82 | 178.8 | 167 | 173.6 | 1.5 | 117.4 | H70 K73 T78 A79 A80 | H70-R76 VanDerWaalsContact O-CB 3.28Å; H70-R76 WeakPolarHBondContact O-CB 3.44Å; K73-R76 PolarHBondContact O-N 2.78Å; R76-T78 PolarHBondContact O-N 3.03Å; R76-T78 VanDerWaalsContact O-N 3.08Å; R76-A79 PolarHBondContact O-N 2.97Å; R76-A80 PolarHBondContact O-N 3.17Å | ||
| 77 | G | 62.8 | Low | 78.1 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -52.5 | -33.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L81 | G77-L81 WeakPolarHBondContact O-CB 3.41Å; G77-L81 PolarHBondContact O-N 3.22Å |
| 78 | T | 76.7 | Confident | 78.4 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 66% | 0.656 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.6 | -41.9 | -179 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | R76 L81 Q82 | R76-T78 PolarHBondContact O-N 3.03Å; R76-T78 VanDerWaalsContact O-N 3.08Å; T78-L81 PolarHBondContact O-N 2.98Å; T78-Q82 WeakPolarHBondContact O-CB 3.49Å; T78-Q82 VanDerWaalsContact O-CG 3.32Å; T78-Q82 WeakPolarHBondContact O-CG 3.43Å; T78-Q82 PolarHBondContact O-N 3.48Å |
| 79 | A | 79.4 | Confident | 78.7 | Confident | 33 Ų | 33 | 98.2 Ų | 98.2 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H70 R76 Q82 A83 | H70-A79 HydrophobicContact CB-CB 4.38Å; R76-A79 PolarHBondContact O-N 2.97Å; A79-Q82 PolarHBondContact O-N 3.43Å; A79-A83 PolarHBondContact O-N 3.43Å |
| 80 | A | 82.7 | Confident | 79 | Confident | 13 Ų | 13 | 91.7 Ų | 91.7 | 11% | 0.107 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H70 R76 Q82 A83 L84 | H70-A80 HydrophobicContact CB-CB 4.24Å; R76-A80 PolarHBondContact O-N 3.17Å; A80-Q82 PolarHBondContact O-N 3.07Å; A80-A83 PolarHBondContact O-N 3.43Å; A80-L84 WeakPolarHBondContact O-CG 3.1Å; A80-L84 PolarHBondContact O-N 3.04Å |
| 81 | L | 85.8 | Confident | 79.6 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 177.6 | -170.3 | 153 | 0 | 0 | 0 | 112.3 | G77 T78 L84 K85 | G77-L81 WeakPolarHBondContact O-CB 3.41Å; G77-L81 PolarHBondContact O-N 3.22Å; T78-L81 PolarHBondContact O-N 2.98Å; L81-L84 PolarHBondContact O-N 3.23Å; L81-K85 HydrophobicContact CD2-CD 3.9Å; L81-K85 VanDerWaalsContact CD2-CE 3.48Å; L81-K85 HydrophobicContact CD2-CG 4.35Å; L81-K85 WeakPolarHBondContact O-CG 3.39Å; L81-K85 PolarHBondContact O-N 2.99Å |
| 82 | Q | 87.3 | Confident | 80.7 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 172.8 | -77.5 | -179 | 0.3 | 0 | 0 | 112.5 | T78 A79 A80 K85 R86 | T78-Q82 WeakPolarHBondContact O-CB 3.49Å; T78-Q82 VanDerWaalsContact O-CG 3.32Å; T78-Q82 WeakPolarHBondContact O-CG 3.43Å; T78-Q82 PolarHBondContact O-N 3.48Å; A79-Q82 PolarHBondContact O-N 3.43Å; A80-Q82 PolarHBondContact O-N 3.07Å; Q82-K85 PolarHBondContact O-N 3.49Å; Q82-R86 WeakPolarHBondContact O-CG 3.48Å; Q82-R86 PolarHBondContact O-N 2.92Å |
| 83 | A | 88.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 94 Ų | 94 | 2% | 0.017 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E63 T66 A67 A79 A80 K85 R86 K87 | E63-A83 WeakPolarHBondContact OE2-CA 3.49Å; T66-A83 HydrophobicContact CG2-CB 4.25Å; A67-A83 HydrophobicContact CB-CB 4.09Å; A79-A83 PolarHBondContact O-N 3.43Å; A80-A83 PolarHBondContact O-N 3.43Å; A83-K85 PolarHBondContact O-N 3.32Å; A83-R86 PolarHBondContact O-N 3.03Å; A83-R86 VanDerWaalsContact O-N 3.16Å; A83-K87 PolarHBondContact O-N 2.74Å |
| 84 | L | 90.4 | Very high | 83.2 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 175.5 | -69.5 | 174.7 | 0 | 0 | 0 | 113.1 | A67 A80 L81 K87 K88 | A67-L84 HydrophobicContact CB-CD2 4Å; A67-L84 HydrophobicContact CB-CG 4.13Å; A80-L84 WeakPolarHBondContact O-CG 3.1Å; A80-L84 PolarHBondContact O-N 3.04Å; L81-L84 PolarHBondContact O-N 3.23Å; L84-K87 HydrophobicContact CD2-CD 4.43Å; L84-K87 WeakPolarHBondContact O-CB 3.35Å; L84-K87 PolarHBondContact O-N 3.36Å; L84-K88 PolarHBondContact O-N 3.49Å |
| 85 | K | 91.1 | Very high | 85.2 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 173.3 | -78.2 | 179.6 | 174.1 | 177.3 | 0 | 112 | L81 Q82 A83 R89 | L81-K85 HydrophobicContact CD2-CD 3.9Å; L81-K85 VanDerWaalsContact CD2-CE 3.48Å; L81-K85 HydrophobicContact CD2-CG 4.35Å; L81-K85 WeakPolarHBondContact O-CG 3.39Å; L81-K85 PolarHBondContact O-N 2.99Å; Q82-K85 PolarHBondContact O-N 3.49Å; A83-K85 PolarHBondContact O-N 3.32Å; K85-R89 PolarHBondContact O-N 3.39Å |
| 86 | R | 91.9 | Very high | 86.8 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.1 | -69.5 | 175.6 | -168.5 | 159.7 | 3.1 | 111.3 | E63 Q82 A83 K88 R89 L90 | E63-R86 HydrophobicContact CG-CB 4.27Å; E63-R86 WeakPolarHBondContact OE1-CD 3.42Å; Q82-R86 WeakPolarHBondContact O-CG 3.48Å; Q82-R86 PolarHBondContact O-N 2.92Å; A83-R86 PolarHBondContact O-N 3.03Å; A83-R86 VanDerWaalsContact O-N 3.16Å; R86-K88 VanDerWaalsContact C-N 3.34Å; R86-K88 PolarHBondContact O-N 3.07Å; R86-R89 PolarHBondContact O-N 3.1Å; R86-L90 WeakPolarHBondContact O-CG 3.31Å; R86-L90 PolarHBondContact O-N 2.92Å |
| 87 | K | 94.4 | Very high | 88.7 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -49.1 | -55.2 | 172.3 | 172.4 | -176.9 | -178.4 | -78.9 | 0 | 110.8 | I60 E63 V64 A83 L84 R89 L90 E91 | I60-K87 HydrophobicContact CG2-CG 4.22Å; E63-K87 HydrophobicContact CB-CB 4.19Å; V64-K87 HydrophobicContact CG2-CD 3.61Å; A83-K87 PolarHBondContact O-N 2.74Å; L84-K87 HydrophobicContact CD2-CD 4.43Å; L84-K87 WeakPolarHBondContact O-CB 3.35Å; L84-K87 PolarHBondContact O-N 3.36Å; K87-R89 VanDerWaalsContact C-N 3.26Å; K87-R89 PolarHBondContact O-N 2.69Å; K87-L90 WeakPolarHBondContact O-CB 3.44Å; K87-L90 PolarHBondContact O-N 3.49Å; K87-E91 VanDerWaalsContact CE-OE1 3.28Å; K87-E91 WeakPolarHBondContact CE-OE1 3.25Å; K87-E91 HydrophobicContact CG-CG 4.35Å; K87-E91 IonicContact NZ-OE1 2.54Å; K87-E91 PolarHBondContact NZ-OE1 2.96Å; K87-E91 IonicContact NZ-OE2 2.87Å; K87-E91 PolarHBondContact NZ-OE2 3Å; K87-E91 WeakPolarHBondContact O-CG 3.33Å; K87-E91 PolarHBondContact O-N 3.27Å |
| 88 | K | 94.1 | Very high | 90.1 | Very high | 137 Ų | 137 | 77.6 Ų | 77.6 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.4 | -34.5 | -176.8 | -169.9 | 160.7 | -175.1 | 164.6 | 0 | 113.2 | L84 R86 Q92 | L84-K88 PolarHBondContact O-N 3.49Å; R86-K88 VanDerWaalsContact C-N 3.34Å; R86-K88 PolarHBondContact O-N 3.07Å; K88-Q92 WeakPolarHBondContact O-CG 3.46Å; K88-Q92 PolarHBondContact O-N 3.03Å; K88-Q92 VanDerWaalsContact O-N 3.15Å |
| 89 | R | 93.3 | Very high | 90.7 | Very high | 144 Ų | 144 | 74.5 Ų | 74.5 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.5 | -39.4 | 173.9 | -174.9 | 179.8 | 65.2 | -173.2 | 1.1 | 112.4 | K85 R86 K87 Q92 Q93 | K85-R89 PolarHBondContact O-N 3.39Å; R86-R89 PolarHBondContact O-N 3.1Å; K87-R89 VanDerWaalsContact C-N 3.26Å; K87-R89 PolarHBondContact O-N 2.69Å; R89-Q92 PolarHBondContact O-N 3.07Å; R89-Q93 WeakPolarHBondContact O-CG 3.34Å; R89-Q93 PolarHBondContact O-N 3.34Å; R89-Q93 VanDerWaalsContact O-N 3.17Å |
| 90 | L | 92.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.3 | -66.6 | 167.7 | 0 | 0 | 0 | 111 | L56 R59 I60 E63 R86 K87 Q92 Q93 L94 | L56-L90 HydrophobicContact CD2-CD2 3.72Å; R59-L90 HydrophobicContact CB-CD1 3.92Å; I60-L90 HydrophobicContact CD1-CB 4.06Å; I60-L90 HydrophobicContact CG1-CB 3.57Å; I60-L90 HydrophobicContact CG1-CD1 4.24Å; E63-L90 HydrophobicContact CG-CD1 4.09Å; R86-L90 WeakPolarHBondContact O-CG 3.31Å; R86-L90 PolarHBondContact O-N 2.92Å; K87-L90 WeakPolarHBondContact O-CB 3.44Å; K87-L90 PolarHBondContact O-N 3.49Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.22Å; L90-Q93 WeakPolarHBondContact O-CB 3.49Å; L90-Q93 PolarHBondContact O-N 3.49Å; L90-Q93 VanDerWaalsContact O-N 3.1Å; L90-L94 PolarHBondContact O-N 3.08Å |
| 91 | E | 92.5 | Very high | 91.9 | Very high | 67 Ų | 67 | 76.3 Ų | 76.3 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 174.5 | -70.8 | 176.6 | 138.8 | 0 | 0 | 111.9 | I60 K87 Q93 L94 T95 | I60-E91 HydrophobicContact CD1-CG 3.82Å; I60-E91 HydrophobicContact CG1-CG 4.28Å; K87-E91 VanDerWaalsContact CE-OE1 3.28Å; K87-E91 WeakPolarHBondContact CE-OE1 3.25Å; K87-E91 HydrophobicContact CG-CG 4.35Å; K87-E91 IonicContact NZ-OE1 2.54Å; K87-E91 PolarHBondContact NZ-OE1 2.96Å; K87-E91 IonicContact NZ-OE2 2.87Å; K87-E91 PolarHBondContact NZ-OE2 3Å; K87-E91 WeakPolarHBondContact O-CG 3.33Å; K87-E91 PolarHBondContact O-N 3.27Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.88Å; E91-L94 WeakPolarHBondContact O-CB 3.36Å; E91-L94 PolarHBondContact O-N 2.97Å; E91-L94 VanDerWaalsContact O-N 3.16Å; E91-T95 PolarHBondContact O-N 2.98Å; E91-T95 PolarHBondContact O-OG1 3.25Å |
| 92 | Q | 93.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 75.3 Ų | 75.3 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 173.8 | -74.3 | 173.4 | -15.1 | 0 | 0 | 112.7 | K88 R89 L90 Q96 | K88-Q92 WeakPolarHBondContact O-CG 3.46Å; K88-Q92 PolarHBondContact O-N 3.03Å; K88-Q92 VanDerWaalsContact O-N 3.15Å; R89-Q92 PolarHBondContact O-N 3.07Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.22Å; Q92-Q96 VanDerWaalsContact O-CG 3.31Å; Q92-Q96 WeakPolarHBondContact O-CG 3.47Å; Q92-Q96 PolarHBondContact O-N 3.12Å |
| 93 | Q | 90.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 73.6 Ų | 73.6 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.4 | -35.5 | 175.3 | -70.8 | 179.5 | -26.1 | 0 | 0 | 111.8 | L56 R89 L90 E91 Q96 I97 | L56-Q93 HydrophobicContact CD1-CB 3.87Å; R89-Q93 WeakPolarHBondContact O-CG 3.34Å; R89-Q93 PolarHBondContact O-N 3.34Å; R89-Q93 VanDerWaalsContact O-N 3.17Å; L90-Q93 WeakPolarHBondContact O-CB 3.49Å; L90-Q93 PolarHBondContact O-N 3.49Å; L90-Q93 VanDerWaalsContact O-N 3.1Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.88Å; Q93-Q96 PolarHBondContact O-N 3.46Å; Q93-I97 WeakPolarHBondContact O-CG1 3.5Å; Q93-I97 PolarHBondContact O-N 2.82Å; Q93-I97 VanDerWaalsContact O-N 3.08Å |
| 94 | L | 94.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -54.3 | 176.2 | -167.9 | 70.6 | 0 | 0 | 0 | 110.2 | Q53 L56 E57 I60 L90 E91 Q96 I97 D98 | Q53-L94 HydrophobicContact CB-CD1 4.27Å; Q53-L94 HydrophobicContact CG-CD1 3.44Å; Q53-L94 VanDerWaalsContact CG-CD1 3.44Å; Q53-L94 HydrophobicContact CG-CG 4.5Å; L56-L94 HydrophobicContact CB-CD1 3.95Å; L56-L94 HydrophobicContact CD1-CD1 4.38Å; E57-L94 HydrophobicContact CG-CD1 3.9Å; E57-L94 HydrophobicContact CG-CD2 3.97Å; I60-L94 HydrophobicContact CD1-CD2 4.09Å; L90-L94 PolarHBondContact O-N 3.08Å; E91-L94 WeakPolarHBondContact O-CB 3.36Å; E91-L94 PolarHBondContact O-N 2.97Å; E91-L94 VanDerWaalsContact O-N 3.16Å; L94-Q96 PolarHBondContact O-N 3.18Å; L94-Q96 VanDerWaalsContact O-N 3.13Å; L94-I97 CarbonylContact O-C 3.6Å; L94-I97 WeakPolarHBondContact O-CA 3.32Å; L94-I97 WeakPolarHBondContact O-CB 3.37Å; L94-I97 PolarHBondContact O-N 3.39Å; L94-D98 PolarHBondContact O-N 3.17Å |
| 95 | T | 94.1 | Very high | 92.8 | Very high | 98 Ų | 98 | 72.7 Ų | 72.7 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.4 | -35.9 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | E91 G99 | E91-T95 PolarHBondContact O-N 2.98Å; E91-T95 PolarHBondContact O-OG1 3.25Å; T95-G99 PolarHBondContact O-N 3.12Å; T95-G99 VanDerWaalsContact O-N 3.12Å |
| 96 | Q | 91 | Very high | 92.8 | Very high | 133 Ų | 133 | 72.7 Ų | 72.7 | 62% | 0.621 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.5 | -39.2 | 175 | -74.4 | 174 | 4.6 | 0 | 0 | 112.4 | Q92 Q93 L94 T100 | Q92-Q96 VanDerWaalsContact O-CG 3.31Å; Q92-Q96 WeakPolarHBondContact O-CG 3.47Å; Q92-Q96 PolarHBondContact O-N 3.12Å; Q93-Q96 PolarHBondContact O-N 3.46Å; L94-Q96 PolarHBondContact O-N 3.18Å; L94-Q96 VanDerWaalsContact O-N 3.13Å; Q96-T100 WeakPolarHBondContact O-CB 3.46Å; Q96-T100 PolarHBondContact O-N 2.91Å; Q96-T100 VanDerWaalsContact O-N 3.12Å; Q96-T100 PolarHBondContact O-OG1 3.5Å |
| 97 | I | 93.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 175.9 | -72.6 | 173 | 0 | 0 | 0 | 109.9 | L49 K52 Q53 L56 Q93 L94 G99 T100 L101 | L49-I97 HydrophobicContact CB-CG2 4.32Å; L49-I97 HydrophobicContact CD2-CG2 4.38Å; K52-I97 HydrophobicContact CB-CD1 4.24Å; K52-I97 HydrophobicContact CD-CD1 3.55Å; K52-I97 HydrophobicContact CD-CG1 4.49Å; K52-I97 HydrophobicContact CG-CD1 3.66Å; Q53-I97 HydrophobicContact CB-CG2 4.21Å; L56-I97 HydrophobicContact CD1-CD1 3.49Å; L56-I97 VanDerWaalsContact CD1-CD1 3.49Å; Q93-I97 WeakPolarHBondContact O-CG1 3.5Å; Q93-I97 PolarHBondContact O-N 2.82Å; Q93-I97 VanDerWaalsContact O-N 3.08Å; L94-I97 CarbonylContact O-C 3.6Å; L94-I97 WeakPolarHBondContact O-CA 3.32Å; L94-I97 WeakPolarHBondContact O-CB 3.37Å; L94-I97 PolarHBondContact O-N 3.39Å; I97-G99 VanDerWaalsContact C-N 3.35Å; I97-G99 PolarHBondContact O-N 2.83Å; I97-T100 CarbonylContact O-C 3.6Å; I97-T100 WeakPolarHBondContact O-CA 3.33Å; I97-T100 WeakPolarHBondContact O-CB 3.47Å; I97-T100 PolarHBondContact O-N 3.16Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 PolarHBondContact O-N 3.48Å |
| 98 | D | 92.2 | Very high | 92.8 | Very high | 52 Ų | 52 | 72.2 Ų | 72.2 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | -179.7 | -54.5 | -24.3 | 0 | 0 | 0 | 110.6 | L94 T100 L101 S102 | L94-D98 PolarHBondContact O-N 3.17Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.91Å; D98-L101 WeakPolarHBondContact O-CB 3.47Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 VanDerWaalsContact O-N 3.16Å; D98-S102 PolarHBondContact O-N 2.98Å; D98-S102 PolarHBondContact O-OG 3.13Å |
| 99 | G | 91.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -32.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T95 I97 T103 | T95-G99 PolarHBondContact O-N 3.12Å; T95-G99 VanDerWaalsContact O-N 3.12Å; I97-G99 VanDerWaalsContact C-N 3.35Å; I97-G99 PolarHBondContact O-N 2.83Å; G99-T103 PolarHBondContact O-N 2.99Å; G99-T103 PolarHBondContact O-OG1 2.96Å |
| 100 | T | 91.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71 | -39.1 | 174.6 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | L49 Q96 I97 D98 T103 I104 | L49-T100 HydrophobicContact CD1-CG2 3.99Å; Q96-T100 WeakPolarHBondContact O-CB 3.46Å; Q96-T100 PolarHBondContact O-N 2.91Å; Q96-T100 VanDerWaalsContact O-N 3.12Å; Q96-T100 PolarHBondContact O-OG1 3.5Å; I97-T100 CarbonylContact O-C 3.6Å; I97-T100 WeakPolarHBondContact O-CA 3.33Å; I97-T100 WeakPolarHBondContact O-CB 3.47Å; I97-T100 PolarHBondContact O-N 3.16Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.91Å; T100-T103 PolarHBondContact O-N 3.21Å; T100-I104 HydrophobicContact CG2-CD1 4.06Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.35Å |
| 101 | L | 94.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -52.6 | 177.7 | -166.3 | 80.4 | 0 | 0 | 0 | 110.1 | E46 L49 I97 D98 T103 I104 E105 | E46-L101 HydrophobicContact CB-CD1 4.42Å; E46-L101 HydrophobicContact CG-CD1 3.91Å; L49-L101 HydrophobicContact CB-CD1 3.64Å; L49-L101 HydrophobicContact CD1-CD1 4.31Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 PolarHBondContact O-N 3.48Å; D98-L101 WeakPolarHBondContact O-CB 3.47Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 VanDerWaalsContact O-N 3.16Å; L101-T103 PolarHBondContact O-N 3.35Å; L101-I104 WeakPolarHBondContact O-CA 3.41Å; L101-I104 WeakPolarHBondContact O-CB 3.17Å; L101-I104 PolarHBondContact O-N 2.88Å; L101-E105 WeakPolarHBondContact O-CG 3.35Å; L101-E105 PolarHBondContact O-N 3.49Å |
| 102 | S | 92.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.1 | -36.7 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | D98 I104 F106 | D98-S102 PolarHBondContact O-N 2.98Å; D98-S102 PolarHBondContact O-OG 3.13Å; S102-I104 VanDerWaalsContact C-N 3.35Å; S102-I104 PolarHBondContact O-N 2.96Å; S102-F106 WeakPolarHBondContact O-CB 3.5Å; S102-F106 PolarHBondContact O-N 3.49Å |
| 103 | T | 92.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | G99 T100 L101 Q107 | G99-T103 PolarHBondContact O-N 2.99Å; G99-T103 PolarHBondContact O-OG1 2.96Å; T100-T103 PolarHBondContact O-N 3.21Å; L101-T103 PolarHBondContact O-N 3.35Å; T103-Q107 VanDerWaalsContact O-CG 3.25Å; T103-Q107 WeakPolarHBondContact O-CG 3.33Å; T103-Q107 PolarHBondContact O-N 3.26Å; T103-Q107 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 93.6 | Very high | 91.5 | Very high | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 179.1 | -75 | 166.4 | 0 | 0 | 0 | 111 | L42 T45 E46 L49 T100 L101 S102 Q107 R108 | L42-I104 HydrophobicContact CB-CG2 4.28Å; L42-I104 HydrophobicContact CD2-CG2 3.99Å; T45-I104 HydrophobicContact CG2-CD1 3.68Å; E46-I104 HydrophobicContact CB-CG2 4.33Å; L49-I104 HydrophobicContact CD1-CD1 3.44Å; L49-I104 VanDerWaalsContact CD1-CD1 3.44Å; T100-I104 HydrophobicContact CG2-CD1 4.06Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.35Å; L101-I104 WeakPolarHBondContact O-CA 3.41Å; L101-I104 WeakPolarHBondContact O-CB 3.17Å; L101-I104 PolarHBondContact O-N 2.88Å; S102-I104 VanDerWaalsContact C-N 3.35Å; S102-I104 PolarHBondContact O-N 2.96Å; I104-Q107 PolarHBondContact O-N 2.93Å; I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 3.19Å |
| 105 | E | 92.1 | Very high | 91 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 175.6 | -71.7 | 168.1 | 167.2 | 0 | 0 | 110.7 | E46 L101 Q107 R108 E109 | E46-E105 HydrophobicContact CG-CG 4.46Å; L101-E105 WeakPolarHBondContact O-CG 3.35Å; L101-E105 PolarHBondContact O-N 3.49Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 2.91Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 2.9Å; E105-E109 WeakPolarHBondContact O-CB 3.49Å; E105-E109 PolarHBondContact O-N 3.17Å |
| 106 | F | 92.4 | Very high | 90.5 | Very high | 144 Ų | 144 | 64.1 Ų | 64.1 | 63% | 0.632 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 175.6 | 178.4 | -100.4 | 0 | 0 | 0 | 112.3 | S102 E109 A110 | S102-F106 WeakPolarHBondContact O-CB 3.5Å; S102-F106 PolarHBondContact O-N 3.49Å; F106-E109 PolarHBondContact O-N 2.85Å; F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.14Å |
| 107 | Q | 91.4 | Very high | 90.1 | Very high | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 177.7 | -74.8 | 174.5 | 8 | 0 | 0 | 112.8 | L42 T103 I104 E105 L111 | L42-Q107 HydrophobicContact CD1-CB 4.41Å; T103-Q107 VanDerWaalsContact O-CG 3.25Å; T103-Q107 WeakPolarHBondContact O-CG 3.33Å; T103-Q107 PolarHBondContact O-N 3.26Å; T103-Q107 VanDerWaalsContact O-N 3.1Å; I104-Q107 PolarHBondContact O-N 2.93Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 2.91Å; Q107-L111 WeakPolarHBondContact O-CG 3.41Å; Q107-L111 PolarHBondContact O-N 3.21Å; Q107-L111 VanDerWaalsContact O-N 3.13Å |
| 108 | R | 94.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 21% | 0.211 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 176.8 | -178 | -163.7 | 68.1 | -164.7 | -5.1 | 110 | I39 L42 R43 E46 I104 E105 A110 L111 E112 | I39-R108 HydrophobicContact CG2-CG 4.33Å; L42-R108 HydrophobicContact CB-CB 4.19Å; L42-R108 HydrophobicContact CB-CG 4.43Å; L42-R108 HydrophobicContact CD1-CB 4.09Å; R43-R108 HydrophobicContact CG-CG 4.49Å; E46-R108 IonicContact OE1-CZ 3.37Å; E46-R108 IonicContact OE1-NH1 2.63Å; E46-R108 PolarHBondContact OE1-NH1 2.89Å; E46-R108 IonicContact OE2-CZ 3.75Å; E46-R108 IonicContact OE2-NH1 2.77Å; E46-R108 PolarHBondContact OE2-NH1 2.77Å; I104-R108 WeakPolarHBondContact O-CB 3.39Å; I104-R108 PolarHBondContact O-N 3.19Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 2.9Å; R108-A110 PolarHBondContact O-N 2.87Å; R108-L111 PolarHBondContact O-N 3Å; R108-L111 VanDerWaalsContact O-N 3.17Å; R108-E112 WeakPolarHBondContact O-CG 3.4Å; R108-E112 PolarHBondContact O-N 3.39Å |
| 109 | E | 91 | Very high | 89.5 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 179 | -172.9 | -178.1 | 169.2 | 0 | 0 | 111.5 | E105 F106 L111 E112 N113 | E105-E109 WeakPolarHBondContact O-CB 3.49Å; E105-E109 PolarHBondContact O-N 3.17Å; F106-E109 PolarHBondContact O-N 2.85Å; E109-L111 VanDerWaalsContact C-N 3.26Å; E109-L111 PolarHBondContact O-N 3.13Å; E109-E112 PolarHBondContact O-N 2.98Å; E109-E112 VanDerWaalsContact O-N 3.14Å; E109-N113 WeakPolarHBondContact O-CB 3.47Å; E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 2.91Å |
| 110 | A | 88.4 | Confident | 89.4 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F106 R108 S114 | F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.14Å; R108-A110 PolarHBondContact O-N 2.87Å; A110-S114 VanDerWaalsContact O-CB 3.27Å; A110-S114 WeakPolarHBondContact O-CB 3.41Å; A110-S114 PolarHBondContact O-N 2.98Å |
| 111 | L | 89.8 | Confident | 89 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.7 | -39.3 | 175.7 | -78.5 | 172.7 | 0 | 0 | 0 | 112.9 | A38 I39 L42 Q107 R108 E109 S114 H115 | A38-L111 HydrophobicContact CB-CD1 3.94Å; I39-L111 HydrophobicContact CD1-CB 4.31Å; I39-L111 HydrophobicContact CG1-CB 3.9Å; L42-L111 HydrophobicContact CD1-CD1 3.67Å; Q107-L111 WeakPolarHBondContact O-CG 3.41Å; Q107-L111 PolarHBondContact O-N 3.21Å; Q107-L111 VanDerWaalsContact O-N 3.13Å; R108-L111 PolarHBondContact O-N 3Å; R108-L111 VanDerWaalsContact O-N 3.17Å; E109-L111 VanDerWaalsContact C-N 3.26Å; E109-L111 PolarHBondContact O-N 3.13Å; L111-S114 PolarHBondContact O-N 3.12Å; L111-H115 WeakPolarHBondContact O-CB 3.41Å; L111-H115 PolarHBondContact O-N 3.43Å |
| 112 | E | 88.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.2 | -73.9 | 175.2 | 173.8 | 0 | 0 | 111 | I39 R43 R108 E109 H115 T116 | I39-E112 HydrophobicContact CD1-CG 3.71Å; I39-E112 HydrophobicContact CG1-CG 4.01Å; I39-E112 HydrophobicContact CG2-CG 4.09Å; I39-E112 WeakPolarHBondContact CG2-OE1 3.27Å; R43-E112 IonicContact CZ-OE1 3.44Å; R43-E112 IonicContact NE-OE1 3.79Å; R43-E112 PolarHBondContact NE-OE1 3.23Å; R43-E112 IonicContact NH2-OE1 3.61Å; R43-E112 PolarHBondContact NH2-OE1 3.34Å; R108-E112 WeakPolarHBondContact O-CG 3.4Å; R108-E112 PolarHBondContact O-N 3.39Å; E109-E112 PolarHBondContact O-N 2.98Å; E109-E112 VanDerWaalsContact O-N 3.14Å; E112-H115 PolarHBondContact O-N 3Å; E112-T116 PolarHBondContact O-N 2.83Å; E112-T116 PolarHBondContact O-OG1 3.07Å |
| 113 | N | 87.8 | Confident | 88.7 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 31% | 0.31 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.1 | -69.1 | -14.2 | 0 | 0 | 0 | 111.2 | E109 H115 T116 N117 | E109-N113 WeakPolarHBondContact O-CB 3.47Å; E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 2.91Å; N113-H115 VanDerWaalsContact C-N 3.32Å; N113-H115 PolarHBondContact O-N 3.47Å; N113-T116 PolarHBondContact O-N 2.86Å; N113-N117 WeakPolarHBondContact O-CB 3.47Å; N113-N117 VanDerWaalsContact O-CG 3.22Å; N113-N117 PolarHBondContact O-N 2.77Å; N113-N117 PolarHBondContact O-OD1 3.02Å |
| 114 | S | 84.4 | Confident | 88.1 | Confident | 63 Ų | 63 | 76 Ų | 76 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | A110 L111 T118 | A110-S114 VanDerWaalsContact O-CB 3.27Å; A110-S114 WeakPolarHBondContact O-CB 3.41Å; A110-S114 PolarHBondContact O-N 2.98Å; L111-S114 PolarHBondContact O-N 3.12Å; S114-T118 WeakPolarHBondContact O-CB 3.4Å; S114-T118 PolarHBondContact O-N 3.41Å; S114-T118 PolarHBondContact O-OG1 3.41Å |
| 115 | H | 83.8 | Confident | 87.6 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -49 | 176.1 | -173.2 | 40.7 | 0 | 0 | 0 | 111 | Q36 L111 E112 N113 T118 E119 | Q36-H115 PolarHBondContact NE2-NE2 3.28Å; L111-H115 WeakPolarHBondContact O-CB 3.41Å; L111-H115 PolarHBondContact O-N 3.43Å; E112-H115 PolarHBondContact O-N 3Å; N113-H115 VanDerWaalsContact C-N 3.32Å; N113-H115 PolarHBondContact O-N 3.47Å; H115-T118 WeakPolarHBondContact O-CB 3.43Å; H115-T118 PolarHBondContact O-N 3.31Å; H115-E119 IonicContact CE1-OE1 3.74Å; H115-E119 IonicContact NE2-OE1 2.6Å; H115-E119 PolarHBondContact O-N 3.14Å |
| 116 | T | 83.9 | Confident | 87.3 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 178 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | E112 N113 T118 E119 V120 | E112-T116 PolarHBondContact O-N 2.83Å; E112-T116 PolarHBondContact O-OG1 3.07Å; N113-T116 PolarHBondContact O-N 2.86Å; T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 2.96Å; T116-E119 PolarHBondContact O-N 3.5Å; T116-E119 VanDerWaalsContact O-N 3.1Å; T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 3.48Å |
| 117 | N | 83.5 | Confident | 86.9 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 177.4 | -71.4 | -4 | 0 | 0 | 0 | 111.9 | N113 V120 L121 I164 | N113-N117 WeakPolarHBondContact O-CB 3.47Å; N113-N117 VanDerWaalsContact O-CG 3.22Å; N113-N117 PolarHBondContact O-N 2.77Å; N113-N117 PolarHBondContact O-OD1 3.02Å; N117-V120 PolarHBondContact O-N 3.5Å; N117-L121 WeakPolarHBondContact O-CG 3.48Å; N117-L121 PolarHBondContact O-N 3.17Å; N117-I164 WeakPolarHBondContact OD1-CG2 3.45Å |
| 118 | T | 86 | Confident | 86.3 | Confident | 84 Ų | 84 | 75 Ų | 75 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | S114 H115 T116 K122 | S114-T118 WeakPolarHBondContact O-CB 3.4Å; S114-T118 PolarHBondContact O-N 3.41Å; S114-T118 PolarHBondContact O-OG1 3.41Å; H115-T118 WeakPolarHBondContact O-CB 3.43Å; H115-T118 PolarHBondContact O-N 3.31Å; T116-T118 VanDerWaalsContact C-N 3.29Å; T116-T118 PolarHBondContact O-N 2.96Å; T118-K122 WeakPolarHBondContact O-CB 3.33Å; T118-K122 PolarHBondContact O-N 2.83Å |
| 119 | E | 86.4 | Confident | 85.7 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.4 | -69 | -162.4 | 149.3 | 0 | 0 | 112.3 | H115 T116 L121 K122 N123 | H115-E119 IonicContact CE1-OE1 3.74Å; H115-E119 IonicContact NE2-OE1 2.6Å; H115-E119 PolarHBondContact O-N 3.14Å; T116-E119 PolarHBondContact O-N 3.5Å; T116-E119 VanDerWaalsContact O-N 3.1Å; E119-L121 PolarHBondContact O-N 3.46Å; E119-K122 WeakPolarHBondContact O-CB 3.46Å; E119-K122 PolarHBondContact O-N 2.9Å; E119-N123 VanDerWaalsContact O-CG 3.28Å; E119-N123 PolarHBondContact O-N 3.46Å |
| 120 | V | 88.3 | Confident | 85.3 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.6 | -51.6 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | T116 N117 K122 N123 M124 I164 | T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 3.48Å; N117-V120 PolarHBondContact O-N 3.5Å; V120-K122 VanDerWaalsContact C-N 3.3Å; V120-K122 PolarHBondContact O-N 3.07Å; V120-N123 PolarHBondContact O-N 3.1Å; V120-N123 VanDerWaalsContact O-N 3.14Å; V120-M124 HydrophobicContact CG1-CG 4.38Å; V120-M124 HydrophobicContact CG1-SD 3.96Å; V120-M124 WeakPolarHBondContact O-CG 3.46Å; V120-M124 PolarHBondContact O-N 2.84Å; V120-I164 HydrophobicContact CG1-CD1 4.37Å |
| 121 | L | 84.4 | Confident | 84.8 | Confident | 101 Ų | 101 | 78.3 Ų | 78.3 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -38 | 178.9 | -71.8 | 174.8 | 0 | 0 | 0 | 112.6 | N117 E119 M124 G125 | N117-L121 WeakPolarHBondContact O-CG 3.48Å; N117-L121 PolarHBondContact O-N 3.17Å; E119-L121 PolarHBondContact O-N 3.46Å; L121-M124 HydrophobicContact CD2-SD 4.45Å; L121-M124 PolarHBondContact O-N 3.32Å; L121-G125 PolarHBondContact O-N 3.45Å |
| 122 | K | 89.3 | Confident | 84.2 | Confident | 160 Ų | 160 | 81.6 Ų | 81.6 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 176.1 | -174.5 | -177.2 | 174.9 | -170.9 | 0 | 111.5 | T118 E119 V120 G125 F126 | T118-K122 WeakPolarHBondContact O-CB 3.33Å; T118-K122 PolarHBondContact O-N 2.83Å; E119-K122 WeakPolarHBondContact O-CB 3.46Å; E119-K122 PolarHBondContact O-N 2.9Å; V120-K122 VanDerWaalsContact C-N 3.3Å; V120-K122 PolarHBondContact O-N 3.07Å; K122-G125 PolarHBondContact O-N 2.84Å; K122-F126 PolarHBondContact O-N 2.87Å |
| 123 | N | 89.8 | Confident | 83.8 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.6 | -41.7 | 178.3 | -69.2 | -14.2 | 0 | 0 | 0 | 111.5 | E119 V120 G125 F126 A127 | E119-N123 VanDerWaalsContact O-CG 3.28Å; E119-N123 PolarHBondContact O-N 3.46Å; V120-N123 PolarHBondContact O-N 3.1Å; V120-N123 VanDerWaalsContact O-N 3.14Å; N123-G125 VanDerWaalsContact C-N 3.32Å; N123-G125 PolarHBondContact O-N 3.38Å; N123-F126 WeakPolarHBondContact O-CB 3.43Å; N123-F126 PolarHBondContact O-N 2.82Å; N123-F126 VanDerWaalsContact O-N 3.16Å; N123-A127 PolarHBondContact O-N 3.48Å |
| 124 | M | 81.8 | Confident | 83.2 | Confident | 63 Ų | 63 | 86.6 Ų | 86.6 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 172 | -70.8 | 177.2 | 74 | 0 | 0 | 111.4 | V120 L121 F126 A127 A128 A157 | V120-M124 HydrophobicContact CG1-CG 4.38Å; V120-M124 HydrophobicContact CG1-SD 3.96Å; V120-M124 WeakPolarHBondContact O-CG 3.46Å; V120-M124 PolarHBondContact O-N 2.84Å; L121-M124 HydrophobicContact CD2-SD 4.45Å; L121-M124 PolarHBondContact O-N 3.32Å; M124-F126 VanDerWaalsContact C-N 3.31Å; M124-F126 PolarHBondContact O-N 3Å; M124-A127 PolarHBondContact O-N 3.33Å; M124-A128 WeakPolarHBondContact O-CB 3.28Å; M124-A128 PolarHBondContact O-N 3.21Å; M124-A157 HydrophobicContact CE-CB 4.31Å |
| 125 | G | 82.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 85.8 Ų | 85.8 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L121 K122 N123 K129 | L121-G125 PolarHBondContact O-N 3.45Å; K122-G125 PolarHBondContact O-N 2.84Å; N123-G125 VanDerWaalsContact C-N 3.32Å; N123-G125 PolarHBondContact O-N 3.38Å; G125-K129 VanDerWaalsContact O-CG 3.3Å; G125-K129 WeakPolarHBondContact O-CG 3.43Å; G125-K129 PolarHBondContact O-N 2.98Å |
| 126 | F | 85.9 | Confident | 81.7 | Confident | 154 Ų | 154 | 89.6 Ų | 89.6 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.3 | -46 | 172.6 | -178.7 | -98.2 | 0 | 0 | 0 | 111.6 | K122 N123 M124 A128 K129 A130 | K122-F126 PolarHBondContact O-N 2.87Å; N123-F126 WeakPolarHBondContact O-CB 3.43Å; N123-F126 PolarHBondContact O-N 2.82Å; N123-F126 VanDerWaalsContact O-N 3.16Å; M124-F126 VanDerWaalsContact C-N 3.31Å; M124-F126 PolarHBondContact O-N 3Å; F126-A128 PolarHBondContact O-N 2.89Å; F126-K129 PolarHBondContact O-N 3.29Å; F126-A130 PolarHBondContact O-N 2.85Å |
| 127 | A | 84 | Confident | 80.9 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N123 M124 K129 A130 M131 | N123-A127 PolarHBondContact O-N 3.48Å; M124-A127 PolarHBondContact O-N 3.33Å; A127-K129 VanDerWaalsContact C-N 3.31Å; A127-K129 PolarHBondContact O-N 3.35Å; A127-A130 PolarHBondContact O-N 3.47Å; A127-A130 VanDerWaalsContact O-N 3.15Å; A127-M131 WeakPolarHBondContact O-CB 3.25Å; A127-M131 WeakPolarHBondContact O-CG 3.32Å; A127-M131 PolarHBondContact O-N 3.04Å |
| 128 | A | 79.1 | Confident | 79.9 | Confident | 61 Ų | 61 | 93.4 Ų | 93.4 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M124 F126 K132 | M124-A128 WeakPolarHBondContact O-CB 3.28Å; M124-A128 PolarHBondContact O-N 3.21Å; F126-A128 PolarHBondContact O-N 2.89Å; A128-K132 WeakPolarHBondContact O-CB 3.37Å; A128-K132 PolarHBondContact O-N 2.99Å |
| 129 | K | 82.4 | Confident | 78.7 | Confident | 152 Ų | 152 | 95.5 Ų | 95.5 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 174.6 | -74.1 | 171.5 | -175.8 | 176.6 | 0 | 112.2 | G125 F126 A127 K132 Q133 | G125-K129 VanDerWaalsContact O-CG 3.3Å; G125-K129 WeakPolarHBondContact O-CG 3.43Å; G125-K129 PolarHBondContact O-N 2.98Å; F126-K129 PolarHBondContact O-N 3.29Å; A127-K129 VanDerWaalsContact C-N 3.31Å; A127-K129 PolarHBondContact O-N 3.35Å; K129-K132 PolarHBondContact O-N 2.94Å; K129-Q133 PolarHBondContact O-N 2.94Å |
| 130 | A | 82.4 | Confident | 77.4 | Confident | 40 Ų | 40 | 97.3 Ų | 97.3 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F126 A127 K132 Q133 V134 | F126-A130 PolarHBondContact O-N 2.85Å; A127-A130 PolarHBondContact O-N 3.47Å; A127-A130 VanDerWaalsContact O-N 3.15Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.47Å; A130-Q133 PolarHBondContact O-N 3.4Å; A130-V134 WeakPolarHBondContact O-CG2 2.99Å; A130-V134 PolarHBondContact O-N 3Å |
| 131 | M | 76.5 | Confident | 76.2 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 173.8 | -67.4 | -106.7 | -78.8 | 0 | 0 | 111.2 | A127 Q133 V134 H135 | A127-M131 WeakPolarHBondContact O-CB 3.25Å; A127-M131 WeakPolarHBondContact O-CG 3.32Å; A127-M131 PolarHBondContact O-N 3.04Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 2.88Å; M131-V134 WeakPolarHBondContact O-CB 3.43Å; M131-V134 PolarHBondContact O-N 3.42Å; M131-V134 VanDerWaalsContact O-N 3.14Å; M131-H135 PolarHBondContact O-CD2 3.31Å; M131-H135 PolarHBondContact O-N 3.26Å |
| 132 | K | 77.4 | Confident | 75.3 | Confident | 127 Ų | 127 | 104 Ų | 104 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59 | -42.3 | 176.4 | -170.8 | -176.4 | 179.7 | -157.3 | 0 | 112.7 | A128 K129 A130 V134 H135 E136 | A128-K132 WeakPolarHBondContact O-CB 3.37Å; A128-K132 PolarHBondContact O-N 2.99Å; K129-K132 PolarHBondContact O-N 2.94Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.47Å; K132-V134 VanDerWaalsContact C-N 3.33Å; K132-H135 PolarHBondContact O-N 2.86Å; K132-E136 WeakPolarHBondContact CE-OE1 3.37Å; K132-E136 IonicContact NZ-OE1 3.46Å; K132-E136 PolarHBondContact NZ-OE1 3.4Å; K132-E136 PolarHBondContact O-N 3.29Å |
| 133 | Q | 80.8 | Confident | 74.1 | Confident | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -35.2 | 177 | -76.1 | -178.7 | -18.6 | 0 | 0 | 112.7 | K129 A130 M131 H135 N137 | K129-Q133 PolarHBondContact O-N 2.94Å; A130-Q133 PolarHBondContact O-N 3.4Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 2.88Å; Q133-H135 VanDerWaalsContact C-N 3.32Å; Q133-N137 PolarHBondContact O-ND2 2.96Å |
| 134 | V | 75.2 | Confident | 72.9 | Confident | 86 Ų | 86 | 100.5 Ų | 100.5 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 171.4 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | A130 M131 K132 N137 M138 | A130-V134 WeakPolarHBondContact O-CG2 2.99Å; A130-V134 PolarHBondContact O-N 3Å; M131-V134 WeakPolarHBondContact O-CB 3.43Å; M131-V134 PolarHBondContact O-N 3.42Å; M131-V134 VanDerWaalsContact O-N 3.14Å; K132-V134 VanDerWaalsContact C-N 3.33Å; V134-N137 PolarHBondContact O-N 2.6Å; V134-M138 PolarHBondContact O-N 3.21Å |
| 135 | H | 68.8 | Low | 72.3 | Confident | 45 Ų | 45 | 103.3 Ų | 103.3 | 21% | 0.208 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | -179 | -59.1 | 176 | 0 | 0 | 0 | 113.4 | M131 K132 Q133 N137 M138 L146 I150 | M131-H135 PolarHBondContact O-CD2 3.31Å; M131-H135 PolarHBondContact O-N 3.26Å; K132-H135 PolarHBondContact O-N 2.86Å; Q133-H135 VanDerWaalsContact C-N 3.32Å; H135-N137 PolarHBondContact O-N 2.75Å; H135-N137 VanDerWaalsContact O-N 3.15Å; H135-M138 PolarHBondContact O-N 2.9Å; H135-M138 VanDerWaalsContact O-N 3.16Å; H135-L146 HydrophobicContact CB-CD2 4.25Å; H135-I150 WeakPolarHBondContact CE1-CD1 3.37Å; H135-I150 WeakPolarHBondContact ND1-CD1 3.42Å |
| 136 | E | 68.8 | Low | 71.4 | Confident | 130 Ų | 130 | 103.5 Ų | 103.5 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -20 | 174.9 | -78.7 | 177.3 | -178.6 | 0 | 0 | 112.7 | K132 | K132-E136 WeakPolarHBondContact CE-OE1 3.37Å; K132-E136 IonicContact NZ-OE1 3.46Å; K132-E136 PolarHBondContact NZ-OE1 3.4Å; K132-E136 PolarHBondContact O-N 3.29Å |
| 137 | N | 65.6 | Low | 70.3 | Confident | 141 Ų | 141 | 101.3 Ų | 101.3 | 75% | 0.754 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5.6 | 179.5 | -66.2 | -48.7 | 0 | 0 | 0 | 113.9 | Q133 V134 H135 | Q133-N137 PolarHBondContact O-ND2 2.96Å; V134-N137 PolarHBondContact O-N 2.6Å; H135-N137 PolarHBondContact O-N 2.75Å; H135-N137 VanDerWaalsContact O-N 3.15Å |
| 138 | M | 63.8 | Low | 69.8 | Low | 63 Ų | 63 | 105.6 Ų | 105.6 | 31% | 0.31 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -98.5 | 136 | 175.5 | -73.8 | -164 | -47.6 | 0 | 0 | 111.8 | V134 H135 L146 | V134-M138 PolarHBondContact O-N 3.21Å; H135-M138 PolarHBondContact O-N 2.9Å; H135-M138 VanDerWaalsContact O-N 3.16Å; M138-L146 HydrophobicContact CE-CD1 3.79Å; M138-L146 HydrophobicContact CE-CD2 3.19Å; M138-L146 HydrophobicContact CE-CG 4Å |
| 139 | D | 59.3 | Low | 69.3 | Low | 128 Ų | 128 | 107 Ų | 107 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | trans | -55.5 | 142.1 | 178.5 | -78.2 | -44.9 | 0 | 0 | 0 | 112.6 | D141 K142 | D139-D141 PolarHBondContact O-N 3.44Å; D139-K142 PolarHBondContact O-N 2.7Å | ||
| 140 | I | 59.1 | Low | 68.4 | Low | 139 Ų | 139 | 101.9 Ų | 101.9 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -51.7 | -32.2 | -174.2 | -75.7 | 167 | 0 | 0 | 0 | 113.6 | K142 I143 | I140-K142 PolarHBondContact O-N 3.37Å; I140-I143 HydrophobicContact CG1-CD1 4.21Å; I140-I143 WeakPolarHBondContact O-CB 3.4Å; I140-I143 PolarHBondContact O-N 3.18Å |
| 141 | D | 64.9 | Low | 67.8 | Low | 154 Ų | 154 | 103.6 Ų | 103.6 | 82% | 0.824 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -71.5 | -12.3 | -177.9 | -59.6 | -38.5 | 0 | 0 | 0 | 113.9 | D139 | D139-D141 PolarHBondContact O-N 3.44Š|
| 142 | K | 64.3 | Low | 67.6 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -104 | 0.4 | 176.1 | -63.9 | -178.6 | -178.2 | 176.7 | 0 | 113.2 | D139 I140 L146 | D139-K142 PolarHBondContact O-N 2.7Å; I140-K142 PolarHBondContact O-N 3.37Å; K142-L146 VanDerWaalsContact O-CB 3.32Å; K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 3.01Å |
| 143 | I | 63.8 | Low | 66.7 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 31% | 0.308 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.4 | -32.4 | -175.7 | -68.3 | -178.8 | 0 | 0 | 0 | 111.8 | I140 L146 M147 | I140-I143 HydrophobicContact CG1-CD1 4.21Å; I140-I143 WeakPolarHBondContact O-CB 3.4Å; I140-I143 PolarHBondContact O-N 3.18Å; I143-L146 PolarHBondContact O-N 3.3Å; I143-M147 HydrophobicContact CG2-CG 3.9Å; I143-M147 VanDerWaalsContact O-CB 3.29Å; I143-M147 WeakPolarHBondContact O-CB 3.34Å; I143-M147 WeakPolarHBondContact O-CG 3.37Å; I143-M147 PolarHBondContact O-N 3.02Å |
| 144 | D | 65.4 | Low | 66 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -46.1 | -178.1 | -79.8 | -15.3 | 0 | 0 | 0 | 112.5 | L146 M147 Q148 | D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 2.88Å; D144-M147 PolarHBondContact O-N 3.26Å; D144-Q148 PolarHBondContact O-N 3.43Å |
| 145 | D | 69.8 | Low | 65.8 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 66% | 0.658 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 174 | -72.1 | -16.4 | 0 | 0 | 0 | 111 | Q148 D149 | D145-Q148 PolarHBondContact O-N 3.45Å; D145-D149 PolarHBondContact O-N 3.48Å |
| 146 | L | 62.2 | Low | 65.8 | Low | 36 Ų | 36 | 106.2 Ų | 106.2 | 19% | 0.188 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 178.7 | -170.2 | 82.3 | 0 | 0 | 0 | 113.1 | H135 M138 K142 I143 D144 Q148 D149 I150 | H135-L146 HydrophobicContact CB-CD2 4.25Å; M138-L146 HydrophobicContact CE-CD1 3.79Å; M138-L146 HydrophobicContact CE-CD2 3.19Å; M138-L146 HydrophobicContact CE-CG 4Å; K142-L146 VanDerWaalsContact O-CB 3.32Å; K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 3.01Å; I143-L146 PolarHBondContact O-N 3.3Å; D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 2.88Å; L146-Q148 PolarHBondContact O-N 3.1Å; L146-D149 PolarHBondContact O-N 2.63Å; L146-I150 HydrophobicContact CD2-CD1 3.98Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 HydrophobicContact CG-CG1 4.33Å; L146-I150 WeakPolarHBondContact O-CB 3.24Å; L146-I150 VanDerWaalsContact O-CG1 3.22Å; L146-I150 WeakPolarHBondContact O-CG1 3.41Å; L146-I150 PolarHBondContact O-N 3.26Å |
| 147 | M | 64.1 | Low | 65.6 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -33.2 | 176.2 | -82.4 | -82.7 | -70.4 | 0 | 0 | 111 | I143 D144 T151 | I143-M147 HydrophobicContact CG2-CG 3.9Å; I143-M147 VanDerWaalsContact O-CB 3.29Å; I143-M147 WeakPolarHBondContact O-CB 3.34Å; I143-M147 WeakPolarHBondContact O-CG 3.37Å; I143-M147 PolarHBondContact O-N 3.02Å; D144-M147 PolarHBondContact O-N 3.26Å; M147-T151 PolarHBondContact O-N 2.94Å; M147-T151 VanDerWaalsContact O-N 3.15Å; M147-T151 PolarHBondContact O-OG1 3.06Å |
| 148 | Q | 73.3 | Confident | 66 | Low | 142 Ų | 142 | 101.9 Ų | 101.9 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -47.2 | 172.9 | -166.5 | 162.9 | -3.4 | 0 | 0 | 111.3 | D144 D145 L146 I150 T151 E152 | D144-Q148 PolarHBondContact O-N 3.43Å; D145-Q148 PolarHBondContact O-N 3.45Å; L146-Q148 PolarHBondContact O-N 3.1Å; Q148-I150 PolarHBondContact O-N 2.99Å; Q148-T151 PolarHBondContact O-N 3.02Å; Q148-E152 PolarHBondContact O-N 3.49Å |
| 149 | D | 67.1 | Low | 66.4 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 176.7 | -72.2 | -8.4 | 0 | 0 | 0 | 113.2 | D145 L146 E152 Q153 | D145-D149 PolarHBondContact O-N 3.48Å; L146-D149 PolarHBondContact O-N 2.63Å; D149-E152 PolarHBondContact O-N 3.44Å; D149-Q153 WeakPolarHBondContact O-CG 3.4Å; D149-Q153 PolarHBondContact O-N 2.87Å |
| 150 | I | 64.6 | Low | 66.6 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 22% | 0.221 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 177.9 | -70.6 | 165.1 | 0 | 0 | 0 | 111.3 | H135 L146 Q148 E152 Q153 Q154 | H135-I150 WeakPolarHBondContact CE1-CD1 3.37Å; H135-I150 WeakPolarHBondContact ND1-CD1 3.42Å; L146-I150 HydrophobicContact CD2-CD1 3.98Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 HydrophobicContact CG-CG1 4.33Å; L146-I150 WeakPolarHBondContact O-CB 3.24Å; L146-I150 VanDerWaalsContact O-CG1 3.22Å; L146-I150 WeakPolarHBondContact O-CG1 3.41Å; L146-I150 PolarHBondContact O-N 3.26Å; Q148-I150 PolarHBondContact O-N 2.99Å; I150-E152 VanDerWaalsContact C-N 3.29Å; I150-Q153 PolarHBondContact O-N 2.74Å; I150-Q154 WeakPolarHBondContact O-CB 3.2Å; I150-Q154 PolarHBondContact O-N 2.82Å |
| 151 | T | 68.9 | Low | 67 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | -179.8 | -48.2 | 0 | 0 | 0 | 0 | 109.7 | M147 Q148 Q154 D155 | M147-T151 PolarHBondContact O-N 2.94Å; M147-T151 VanDerWaalsContact O-N 3.15Å; M147-T151 PolarHBondContact O-OG1 3.06Å; Q148-T151 PolarHBondContact O-N 3.02Å; T151-Q154 PolarHBondContact O-N 3.28Å; T151-D155 PolarHBondContact O-N 2.88Å |
| 152 | E | 72.8 | Confident | 67.4 | Low | 141 Ų | 141 | 98.2 Ų | 98.2 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 174.6 | -145.3 | 169.4 | -143.6 | 0 | 0 | 111.8 | Q148 D149 I150 D155 V156 | Q148-E152 PolarHBondContact O-N 3.49Å; D149-E152 PolarHBondContact O-N 3.44Å; I150-E152 VanDerWaalsContact C-N 3.29Å; E152-D155 PolarHBondContact O-N 2.86Å; E152-V156 WeakPolarHBondContact O-CG2 3.39Å; E152-V156 PolarHBondContact O-N 3.11Å |
| 153 | Q | 58.5 | Low | 67.4 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.2 | -29.2 | 175.8 | -76.3 | -174.5 | 1.1 | 0 | 0 | 114.6 | D149 I150 D155 V156 A157 | D149-Q153 WeakPolarHBondContact O-CG 3.4Å; D149-Q153 PolarHBondContact O-N 2.87Å; I150-Q153 PolarHBondContact O-N 2.74Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; Q153-V156 PolarHBondContact O-N 2.83Å; Q153-A157 WeakPolarHBondContact O-CB 3.47Å; Q153-A157 PolarHBondContact O-N 2.79Å |
| 154 | Q | 66.1 | Low | 67.4 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 174.5 | -102.7 | -167.1 | -28.9 | 0 | 0 | 111.7 | I150 T151 R158 | I150-Q154 WeakPolarHBondContact O-CB 3.2Å; I150-Q154 PolarHBondContact O-N 2.82Å; T151-Q154 PolarHBondContact O-N 3.28Å; Q154-R158 WeakPolarHBondContact O-CB 3.48Å; Q154-R158 PolarHBondContact O-N 3.36Å |
| 155 | D | 70.6 | Confident | 67.3 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 175 | -72.4 | -19.3 | 0 | 0 | 0 | 111.1 | T151 E152 Q153 A157 R158 E159 | T151-D155 PolarHBondContact O-N 2.88Å; E152-D155 PolarHBondContact O-N 2.86Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; D155-A157 PolarHBondContact O-N 2.76Å; D155-R158 PolarHBondContact O-N 2.79Å; D155-R158 IonicContact OD1-NH1 3.49Å; D155-R158 PolarHBondContact OD1-NH1 2.8Å; D155-E159 WeakPolarHBondContact O-CB 3.42Å; D155-E159 PolarHBondContact O-N 3.05Å |
| 156 | V | 70.1 | Confident | 67 | Low | 72 Ų | 72 | 88.3 Ų | 88.3 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 172.2 | 176 | 0 | 0 | 0 | 0 | 111.9 | E152 Q153 R158 E159 I160 | E152-V156 WeakPolarHBondContact O-CG2 3.39Å; E152-V156 PolarHBondContact O-N 3.11Å; Q153-V156 PolarHBondContact O-N 2.83Å; V156-R158 VanDerWaalsContact C-N 3.28Å; V156-R158 PolarHBondContact O-N 2.83Å; V156-E159 PolarHBondContact O-N 2.67Å; V156-I160 HydrophobicContact CG1-CD1 3.8Å; V156-I160 HydrophobicContact CG1-CG1 4.41Å; V156-I160 WeakPolarHBondContact O-CB 3.48Å; V156-I160 VanDerWaalsContact O-CG1 3.22Å; V156-I160 WeakPolarHBondContact O-CG1 3.36Å; V156-I160 PolarHBondContact O-N 2.99Å |
| 157 | A | 63.1 | Low | 66.5 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 31% | 0.314 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -32.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M124 Q153 D155 S161 | M124-A157 HydrophobicContact CE-CB 4.31Å; Q153-A157 WeakPolarHBondContact O-CB 3.47Å; Q153-A157 PolarHBondContact O-N 2.79Å; D155-A157 PolarHBondContact O-N 2.76Å; A157-S161 WeakPolarHBondContact O-CB 3.4Å; A157-S161 PolarHBondContact O-N 3.31Å |
| 158 | R | 75 | Confident | 66 | Low | 142 Ų | 142 | 95 Ų | 95 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -42.3 | 176 | -160.8 | 179.1 | -76.5 | 123.5 | -5.1 | 110.7 | Q154 D155 V156 S161 E162 | Q154-R158 WeakPolarHBondContact O-CB 3.48Å; Q154-R158 PolarHBondContact O-N 3.36Å; D155-R158 PolarHBondContact O-N 2.79Å; D155-R158 IonicContact OD1-NH1 3.49Å; D155-R158 PolarHBondContact OD1-NH1 2.8Å; V156-R158 VanDerWaalsContact C-N 3.28Å; V156-R158 PolarHBondContact O-N 2.83Å; R158-S161 PolarHBondContact O-N 3.31Å; R158-E162 WeakPolarHBondContact O-CB 3.22Å; R158-E162 PolarHBondContact O-N 3.49Å |
| 159 | E | 70.8 | Confident | 65 | Low | 134 Ų | 134 | 90.4 Ų | 90.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 172.7 | -174.1 | 179.2 | -176.1 | 0 | 0 | 111.8 | D155 V156 E162 A163 | D155-E159 WeakPolarHBondContact O-CB 3.42Å; D155-E159 PolarHBondContact O-N 3.05Å; V156-E159 PolarHBondContact O-N 2.67Å; E159-E162 PolarHBondContact O-N 3.47Å; E159-A163 WeakPolarHBondContact O-CB 3.29Å; E159-A163 PolarHBondContact O-N 3.34Å |
| 160 | I | 65 | Low | 64.3 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.395 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.3 | -68.7 | 166 | 0 | 0 | 0 | 111 | V156 E162 A163 I164 | V156-I160 HydrophobicContact CG1-CD1 3.8Å; V156-I160 HydrophobicContact CG1-CG1 4.41Å; V156-I160 WeakPolarHBondContact O-CB 3.48Å; V156-I160 VanDerWaalsContact O-CG1 3.22Å; V156-I160 WeakPolarHBondContact O-CG1 3.36Å; V156-I160 PolarHBondContact O-N 2.99Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 3.24Å; I160-A163 PolarHBondContact O-N 3.41Å; I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.38Å; I160-I164 WeakPolarHBondContact O-CB 3.48Å; I160-I164 VanDerWaalsContact O-CG1 3.24Å; I160-I164 WeakPolarHBondContact O-CG1 3.42Å; I160-I164 PolarHBondContact O-N 3.32Å |
| 161 | S | 66.7 | Low | 63.8 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 112 | A157 R158 S165 | A157-S161 WeakPolarHBondContact O-CB 3.4Å; A157-S161 PolarHBondContact O-N 3.31Å; R158-S161 PolarHBondContact O-N 3.31Å; S161-S165 WeakPolarHBondContact O-CB 3.48Å; S161-S165 PolarHBondContact O-N 3.15Å |
| 162 | E | 73.6 | Confident | 63.6 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.8 | -37.4 | 178.7 | -160 | 163.7 | -154.4 | 0 | 0 | 111.3 | R158 E159 I160 S165 G166 | R158-E162 WeakPolarHBondContact O-CB 3.22Å; R158-E162 PolarHBondContact O-N 3.49Å; E159-E162 PolarHBondContact O-N 3.47Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 3.24Å; E162-S165 PolarHBondContact O-N 3.38Å; E162-G166 PolarHBondContact O-N 3.4Å |
| 163 | A | 63.9 | Low | 63.8 | Low | 76 Ų | 76 | 100.9 Ų | 100.9 | 63% | 0.628 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E159 I160 | E159-A163 WeakPolarHBondContact O-CB 3.29Å; E159-A163 PolarHBondContact O-N 3.34Å; I160-A163 PolarHBondContact O-N 3.41Å |
| 164 | I | 63.6 | Low | 64.6 | Low | 53 Ų | 53 | 103 Ų | 103 | 27% | 0.272 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -80.2 | -30.6 | 178.3 | -65.6 | 170.8 | 0 | 0 | 0 | 111.9 | N117 V120 I160 F168 | N117-I164 WeakPolarHBondContact OD1-CG2 3.45Å; V120-I164 HydrophobicContact CG1-CD1 4.37Å; I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.38Å; I160-I164 WeakPolarHBondContact O-CB 3.48Å; I160-I164 VanDerWaalsContact O-CG1 3.24Å; I160-I164 WeakPolarHBondContact O-CG1 3.42Å; I160-I164 PolarHBondContact O-N 3.32Å; I164-F168 WeakPolarHBondContact O-CE2 3.36Å |
| 165 | S | 64 | Low | 65.3 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -92.9 | -4.9 | -179.2 | -170.1 | 0 | 0 | 0 | 0 | 113.7 | S161 E162 | S161-S165 WeakPolarHBondContact O-CB 3.48Å; S161-S165 PolarHBondContact O-N 3.15Å; E162-S165 PolarHBondContact O-N 3.38Å |
| 166 | G | 63 | Low | 66.1 | Low | 29 Ų | 29 | 105.6 Ų | 105.6 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -52.9 | 142 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E162 F168 | E162-G166 PolarHBondContact O-N 3.4Å; G166-F168 PolarHBondContact O-N 2.8Å |
| 167 | P | 50.9 | Low | 66.9 | Low | 125 Ų | 125 | 106.1 Ų | 106.1 | 81% | 0.812 | 56% | 0.564 | S | S | * | * | trans | -57.9 | 112.6 | 177.4 | 23.6 | -29.4 | 0 | 0 | 0 | 107.9 | G169 | P167-G169 PolarHBondContact O-N 2.9Š| ||
| 168 | F | 53.6 | Low | 67.9 | Low | 158 Ų | 158 | 109.3 Ų | 109.3 | 69% | 0.693 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -68.2 | 58 | 169.1 | -90.7 | -88.4 | 0 | 0 | 0 | 109.8 | I164 G166 | I164-F168 WeakPolarHBondContact O-CE2 3.36Å; G166-F168 PolarHBondContact O-N 2.8Å |
| 169 | G | 52.3 | Low | 68.6 | Low | 47 Ų | 47 | 105.3 Ų | 105.3 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | trans | -142.6 | 60.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | P167 Q171 | P167-G169 PolarHBondContact O-N 2.9Å; G169-Q171 PolarHBondContact O-N 2.98Å; G169-Q171 VanDerWaalsContact O-N 3.08Å | ||
| 170 | E | 53.9 | Low | 69.4 | Low | 153 Ų | 153 | 104.1 Ų | 104.1 | 72% | 0.715 | 57% | 0.567 | S | S | * | * | trans | -53.6 | 116 | 152.5 | -162.9 | 160.3 | -146.6 | 0 | 0 | 104.6 | F172 | E170-F172 HydrophobicContact CB-CE1 4.33Å; E170-F172 HydrophobicContact CB-CZ 4.46Å; E170-F172 WeakPolarHBondContact O-CD2 3.4Å; E170-F172 PolarHBondContact O-N 3.49Å | ||
| 171 | Q | 53.8 | Low | 70.5 | Confident | 188 Ų | 188 | 104.7 Ų | 104.7 | 88% | 0.879 | 57% | 0.57 | S | S | * | * | trans | -69.3 | 84.5 | 173.7 | -73.6 | 146.6 | -6.5 | 0 | 0 | 104.6 | G169 D173 | G169-Q171 PolarHBondContact O-N 2.98Å; G169-Q171 VanDerWaalsContact O-N 3.08Å; Q171-D173 PolarHBondContact O-N 3.14Å | ||
| 172 | F | 65.5 | Low | 71.6 | Confident | 139 Ų | 139 | 108.7 Ų | 108.7 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | trans | -52.5 | 126.7 | 175.2 | -60.2 | -71 | 0 | 0 | 0 | 107.3 | E170 E174 L177 | E170-F172 HydrophobicContact CB-CE1 4.33Å; E170-F172 HydrophobicContact CB-CZ 4.46Å; E170-F172 WeakPolarHBondContact O-CD2 3.4Å; E170-F172 PolarHBondContact O-N 3.49Å; F172-E174 PolarHBondContact O-N 2.91Å; F172-L177 HydrophobicContact CB-CD1 3.62Å; F172-L177 HydrophobicContact CB-CD2 4.44Å; F172-L177 HydrophobicContact CB-CG 4.06Å; F172-L177 HydrophobicContact CG-CD1 4.38Å | ||
| 173 | D | 76.3 | Confident | 72.4 | Confident | 90 Ų | 90 | 107.6 Ų | 107.6 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | trans | -68.2 | 119.1 | 177 | -167.7 | -19.2 | 0 | 0 | 0 | 107.4 | Q171 D175 E176 L177 | Q171-D173 PolarHBondContact O-N 3.14Å; D173-D175 PolarHBondContact O-N 3.33Å; D173-D175 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact OD1-N 3.41Å; D173-D175 VanDerWaalsContact OD1-N 3.09Å; D173-E176 HydrophobicContact CB-CB 3.95Å; D173-E176 WeakPolarHBondContact O-CB 3.39Å; D173-E176 PolarHBondContact O-N 3.1Å; D173-L177 PolarHBondContact O-N 2.87Å | ||
| 174 | E | 74.9 | Confident | 73.4 | Confident | 154 Ų | 154 | 108.2 Ų | 108.2 | 72% | 0.72 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.4 | -31.7 | 179 | -68.9 | -178.1 | 179.4 | 0 | 0 | 110.7 | F172 L178 | F172-E174 PolarHBondContact O-N 2.91Å; E174-L178 WeakPolarHBondContact O-CB 3.22Å; E174-L178 WeakPolarHBondContact O-CG 3.49Å; E174-L178 PolarHBondContact O-N 3Å |
| 175 | D | 81.3 | Confident | 74.5 | Confident | 119 Ų | 119 | 111.6 Ų | 111.6 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.7 | -34.6 | 177.5 | -70.8 | -20.4 | 0 | 0 | 0 | 112.2 | D173 A179 | D173-D175 PolarHBondContact O-N 3.33Å; D173-D175 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact OD1-N 3.41Å; D173-D175 VanDerWaalsContact OD1-N 3.09Å; D175-A179 PolarHBondContact O-N 3.35Å; D175-A179 VanDerWaalsContact O-N 3.13Å |
| 176 | E | 87.4 | Confident | 75.6 | Confident | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.9 | -45.6 | 176.1 | -176 | 174 | -168.6 | 0 | 0 | 110.9 | D173 L178 A179 E180 | D173-E176 HydrophobicContact CB-CB 3.95Å; D173-E176 WeakPolarHBondContact O-CB 3.39Å; D173-E176 PolarHBondContact O-N 3.1Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.33Å; E176-A179 PolarHBondContact O-N 3.44Å; E176-E180 PolarHBondContact O-N 3.38Å |
| 177 | L | 86.6 | Confident | 76.5 | Confident | 82 Ų | 82 | 115.7 Ų | 115.7 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -36.8 | 176.8 | -67.9 | 179.1 | 0 | 0 | 0 | 112.5 | F172 D173 E180 L181 | F172-L177 HydrophobicContact CB-CD1 3.62Å; F172-L177 HydrophobicContact CB-CD2 4.44Å; F172-L177 HydrophobicContact CB-CG 4.06Å; F172-L177 HydrophobicContact CG-CD1 4.38Å; D173-L177 PolarHBondContact O-N 2.87Å; L177-E180 PolarHBondContact O-N 3.34Å; L177-L181 WeakPolarHBondContact O-CB 3.44Å; L177-L181 PolarHBondContact O-N 2.91Å |
| 178 | L | 83.3 | Confident | 78 | Confident | 106 Ų | 106 | 114.6 Ų | 114.6 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.6 | -38.6 | 175.2 | -77.4 | 170.9 | 0 | 0 | 0 | 112 | E174 E176 L181 E182 | E174-L178 WeakPolarHBondContact O-CB 3.22Å; E174-L178 WeakPolarHBondContact O-CG 3.49Å; E174-L178 PolarHBondContact O-N 3Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.33Å; L178-L181 PolarHBondContact O-N 3.24Å; L178-E182 PolarHBondContact O-N 3.03Å |
| 179 | A | 90.7 | Very high | 79.3 | Confident | 57 Ų | 57 | 112.6 Ų | 112.6 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D175 E176 E182 E183 | D175-A179 PolarHBondContact O-N 3.35Å; D175-A179 VanDerWaalsContact O-N 3.13Å; E176-A179 PolarHBondContact O-N 3.44Å; A179-E182 PolarHBondContact O-N 3.44Å; A179-E183 PolarHBondContact O-N 2.87Å |
| 180 | E | 87.8 | Confident | 80.7 | Confident | 110 Ų | 110 | 116 Ų | 116 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 175.3 | -172 | 179.5 | 178.2 | 0 | 0 | 111.6 | E176 L177 E182 E183 L184 | E176-E180 PolarHBondContact O-N 3.38Å; L177-E180 PolarHBondContact O-N 3.34Å; E180-E182 PolarHBondContact O-N 3.39Å; E180-E183 WeakPolarHBondContact O-CB 3.16Å; E180-E183 PolarHBondContact O-N 2.79Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.49Å |
| 181 | L | 88.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 115.2 Ų | 115.2 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -43 | 175.6 | -177.4 | 64.8 | 0 | 0 | 0 | 111.9 | L177 L178 E183 L184 E185 | L177-L181 WeakPolarHBondContact O-CB 3.44Å; L177-L181 PolarHBondContact O-N 2.91Å; L178-L181 PolarHBondContact O-N 3.24Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.47Å; L181-L184 PolarHBondContact O-N 3.24Å; L181-E185 WeakPolarHBondContact O-CG 3.47Å; L181-E185 PolarHBondContact O-N 3.3Å |
| 182 | E | 88.8 | Confident | 82.8 | Confident | 134 Ų | 134 | 110.9 Ų | 110.9 | 63% | 0.626 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.4 | -37.6 | 176.2 | -176.2 | 173.9 | -170.4 | 0 | 0 | 111.6 | L178 A179 E180 Q186 | L178-E182 PolarHBondContact O-N 3.03Å; A179-E182 PolarHBondContact O-N 3.44Å; E180-E182 PolarHBondContact O-N 3.39Å; E182-Q186 VanDerWaalsContact O-CB 3.31Å; E182-Q186 WeakPolarHBondContact O-CB 3.4Å; E182-Q186 PolarHBondContact O-N 3.39Å |
| 183 | E | 90.8 | Very high | 83.2 | Confident | 123 Ų | 123 | 111.2 Ų | 111.2 | 58% | 0.575 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.8 | -49.2 | 174.6 | -175.7 | 166 | -157.8 | 0 | 0 | 111.4 | A179 E180 L181 E185 Q186 E187 | A179-E183 PolarHBondContact O-N 2.87Å; E180-E183 WeakPolarHBondContact O-CB 3.16Å; E180-E183 PolarHBondContact O-N 2.79Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.47Å; E183-E185 PolarHBondContact O-N 2.84Å; E183-Q186 PolarHBondContact O-N 3.27Å; E183-Q186 VanDerWaalsContact O-N 3.16Å; E183-E187 WeakPolarHBondContact O-CG 3.49Å; E183-E187 PolarHBondContact O-N 3.4Å |
| 184 | L | 84.9 | Confident | 83 | Confident | 89 Ų | 89 | 115.8 Ų | 115.8 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.7 | -45.1 | 177.6 | -72.5 | 172.6 | 0 | 0 | 0 | 112.5 | E180 L181 Q186 E187 D188 | E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.49Å; L181-L184 PolarHBondContact O-N 3.24Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 3.16Å; L184-E187 PolarHBondContact O-N 3.37Å; L184-D188 PolarHBondContact O-N 3.23Å |
| 185 | E | 87.3 | Confident | 82.7 | Confident | 124 Ų | 124 | 113.2 Ų | 113.2 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61 | -37.7 | 176 | -75 | -173.2 | 170.9 | 0 | 0 | 111.6 | L181 E183 L189 | L181-E185 WeakPolarHBondContact O-CG 3.47Å; L181-E185 PolarHBondContact O-N 3.3Å; E183-E185 PolarHBondContact O-N 2.84Å; E185-L189 WeakPolarHBondContact O-CB 3.3Å; E185-L189 PolarHBondContact O-N 2.88Å |
| 186 | Q | 86.2 | Confident | 81.8 | Confident | 101 Ų | 101 | 115.1 Ų | 115.1 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -34.2 | 178.3 | -160 | -178.8 | 85.7 | 0 | 0 | 112.1 | E182 E183 L184 K190 | E182-Q186 VanDerWaalsContact O-CB 3.31Å; E182-Q186 WeakPolarHBondContact O-CB 3.4Å; E182-Q186 PolarHBondContact O-N 3.39Å; E183-Q186 PolarHBondContact O-N 3.27Å; E183-Q186 VanDerWaalsContact O-N 3.16Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 3.16Å; Q186-K190 WeakPolarHBondContact O-CB 3.38Å; Q186-K190 WeakPolarHBondContact O-CD 3.32Å; Q186-K190 WeakPolarHBondContact O-CG 3.45Å; Q186-K190 PolarHBondContact O-N 3.44Å |
| 187 | E | 82.7 | Confident | 80.3 | Confident | 105 Ų | 105 | 111.7 Ų | 111.7 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -48.6 | 170.9 | -72.7 | -168 | 161.7 | 0 | 0 | 111.6 | E183 L184 L189 K190 E191 | E183-E187 WeakPolarHBondContact O-CG 3.49Å; E183-E187 PolarHBondContact O-N 3.4Å; L184-E187 PolarHBondContact O-N 3.37Å; E187-L189 VanDerWaalsContact C-N 3.3Å; E187-L189 PolarHBondContact O-N 3.01Å; E187-K190 WeakPolarHBondContact O-CB 3.5Å; E187-K190 PolarHBondContact O-N 2.94Å; E187-K190 VanDerWaalsContact O-N 3.13Å; E187-E191 PolarHBondContact O-N 3.23Å |
| 188 | D | 81.8 | Confident | 79.1 | Confident | 102 Ų | 102 | 111.1 Ų | 111.1 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.2 | -40.6 | 175.7 | -88 | -1.3 | 0 | 0 | 0 | 111.8 | L184 E191 N192 | L184-D188 PolarHBondContact O-N 3.23Å; D188-E191 PolarHBondContact O-N 3.13Å; D188-N192 VanDerWaalsContact O-CB 3.25Å; D188-N192 WeakPolarHBondContact O-CB 3.14Å; D188-N192 PolarHBondContact O-N 3.37Å; D188-N192 PolarHBondContact O-ND2 2.93Å |
| 189 | L | 80.4 | Confident | 78.1 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -40.1 | 177 | -142.7 | 87.3 | 0 | 0 | 0 | 111.8 | E185 E187 M193 | E185-L189 WeakPolarHBondContact O-CB 3.3Å; E185-L189 PolarHBondContact O-N 2.88Å; E187-L189 VanDerWaalsContact C-N 3.3Å; E187-L189 PolarHBondContact O-N 3.01Å; L189-M193 WeakPolarHBondContact O-CB 3.3Å; L189-M193 PolarHBondContact O-N 3.37Å |
| 190 | K | 81.6 | Confident | 76.9 | Confident | 118 Ų | 118 | 117.2 Ų | 117.2 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.3 | -42.3 | 175.6 | -75.4 | 164.6 | -172.9 | 152.4 | 0 | 110.6 | Q186 E187 M193 K194 | Q186-K190 WeakPolarHBondContact O-CB 3.38Å; Q186-K190 WeakPolarHBondContact O-CD 3.32Å; Q186-K190 WeakPolarHBondContact O-CG 3.45Å; Q186-K190 PolarHBondContact O-N 3.44Å; E187-K190 WeakPolarHBondContact O-CB 3.5Å; E187-K190 PolarHBondContact O-N 2.94Å; E187-K190 VanDerWaalsContact O-N 3.13Å; K190-M193 PolarHBondContact O-N 3.42Å; K190-K194 VanDerWaalsContact O-CB 3.28Å; K190-K194 WeakPolarHBondContact O-CB 3.5Å; K190-K194 PolarHBondContact O-N 3.41Å |
| 191 | E | 80.2 | Confident | 76.1 | Confident | 137 Ų | 137 | 117.6 Ų | 117.6 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.4 | -45.7 | 176.4 | -169.8 | 173.9 | 179.6 | 0 | 0 | 111.1 | E187 D188 M193 K194 S195 | E187-E191 PolarHBondContact O-N 3.23Å; D188-E191 PolarHBondContact O-N 3.13Å; E191-M193 PolarHBondContact O-N 3.18Å; E191-K194 CarbonylContact O-C 3.56Å; E191-K194 WeakPolarHBondContact O-CB 3.41Å; E191-K194 PolarHBondContact O-N 2.87Å; E191-S195 WeakPolarHBondContact O-CB 3.46Å; E191-S195 PolarHBondContact O-N 3.43Å |
| 192 | N | 73.3 | Confident | 74.7 | Confident | 97 Ų | 97 | 119.4 Ų | 119.4 | 52% | 0.519 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.2 | -38.9 | 175.1 | -82.2 | -32.8 | 0 | 0 | 0 | 112.7 | D188 S195 M196 | D188-N192 VanDerWaalsContact O-CB 3.25Å; D188-N192 WeakPolarHBondContact O-CB 3.14Å; D188-N192 PolarHBondContact O-N 3.37Å; D188-N192 PolarHBondContact O-ND2 2.93Å; N192-S195 PolarHBondContact O-N 2.95Å; N192-M196 WeakPolarHBondContact O-CB 3.2Å; N192-M196 PolarHBondContact O-N 3.37Å |
| 193 | M | 74 | Confident | 73.7 | Confident | 146 Ų | 146 | 118.8 Ų | 118.8 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.2 | -38.4 | 172.9 | -90.9 | -155.4 | 170.8 | 0 | 0 | 112.3 | L189 K190 E191 S195 M196 | L189-M193 WeakPolarHBondContact O-CB 3.3Å; L189-M193 PolarHBondContact O-N 3.37Å; K190-M193 PolarHBondContact O-N 3.42Å; E191-M193 PolarHBondContact O-N 3.18Å; M193-S195 VanDerWaalsContact C-N 3.26Å; M193-S195 PolarHBondContact O-N 3.14Å; M193-M196 CarbonylContact O-C 3.59Å; M193-M196 PolarHBondContact O-N 2.85Å |
| 194 | K | 70.4 | Confident | 72.2 | Confident | 186 Ų | 186 | 119 Ų | 119 | 81% | 0.809 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.8 | -32.4 | 175.4 | -167.7 | 177.1 | -179.6 | -176 | 0 | 111.4 | K190 E191 | K190-K194 VanDerWaalsContact O-CB 3.28Å; K190-K194 WeakPolarHBondContact O-CB 3.5Å; K190-K194 PolarHBondContact O-N 3.41Å; E191-K194 CarbonylContact O-C 3.56Å; E191-K194 WeakPolarHBondContact O-CB 3.41Å; E191-K194 PolarHBondContact O-N 2.87Å |
| 195 | S | 69.7 | Low | 71.1 | Confident | 101 Ų | 101 | 119.3 Ų | 119.3 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75.7 | -36.2 | 174.6 | -162 | 0 | 0 | 0 | 0 | 112.5 | E191 N192 M193 G197 | E191-S195 WeakPolarHBondContact O-CB 3.46Å; E191-S195 PolarHBondContact O-N 3.43Å; N192-S195 PolarHBondContact O-N 2.95Å; M193-S195 VanDerWaalsContact C-N 3.26Å; M193-S195 PolarHBondContact O-N 3.14Å; S195-G197 PolarHBondContact O-N 3.15Å |
| 196 | M | 63.1 | Low | 69.7 | Low | 158 Ų | 158 | 123 Ų | 123 | 78% | 0.778 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -80.1 | 48 | 172.7 | -75.7 | -157.7 | -154.9 | 0 | 0 | 113.4 | N192 M193 G198 | N192-M196 WeakPolarHBondContact O-CB 3.2Å; N192-M196 PolarHBondContact O-N 3.37Å; M193-M196 CarbonylContact O-C 3.59Å; M193-M196 PolarHBondContact O-N 2.85Å; M196-G198 PolarHBondContact O-N 3.36Å; M196-G198 VanDerWaalsContact O-N 3.1Å |
| 197 | G | 54.8 | Low | 68.1 | Low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | -43.6 | 117.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S195 | S195-G197 PolarHBondContact O-N 3.15Š| ||
| 198 | G | 62.1 | Low | 66.7 | Low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 71.2 | 90.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | M196 | M196-G198 PolarHBondContact O-N 3.36Å; M196-G198 VanDerWaalsContact O-N 3.1Å | ||
| 199 | L | 61.6 | Low | 65.3 | Low | 172 Ų | 172 | 128.2 Ų | 128.2 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.7 | 162.6 | -72.4 | 165.8 | 0 | 0 | 0 | 109.8 | ||
| 200 | P | 64.6 | Low | 63.4 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.6 | 177.4 | 25.3 | -32.3 | 0 | 0 | 0 | 111 | V202 | P200-V202 PolarHBondContact O-N 3.02Š|
| 201 | S | 71.1 | Confident | 61.3 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.1 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 202 | V | 59.9 | Low | 59.7 | Low | 126 Ų | 126 | 132.8 Ų | 132.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 131.1 | 177.3 | -89.9 | 0 | 0 | 0 | 0 | 110.6 | P200 S204 | P200-V202 PolarHBondContact O-N 3.02Å; V202-S204 PolarHBondContact O-N 2.99Å |
| 203 | P | 66.5 | Low | 57.9 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.8 | 178.9 | -17.1 | 29 | 0 | 0 | 0 | 111.5 | S205 | P203-S205 PolarHBondContact O-N 3.21Š|
| 204 | S | 60.8 | Low | 56.1 | Low | 127 Ų | 127 | 138.2 Ų | 138.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -81 | 44.8 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 113.5 | V202 | V202-S204 PolarHBondContact O-N 2.99Š| ||
| 205 | S | 61.4 | Low | 54.8 | Low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -89.7 | 115.6 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | P203 L207 | P203-S205 PolarHBondContact O-N 3.21Å; S205-L207 PolarHBondContact O-N 3.05Å | ||
| 206 | K | 56.7 | Low | 53.2 | Low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118 | 172.2 | -75 | -178.8 | 178.8 | 179.7 | 0 | 109.5 | ||
| 207 | L | 54.3 | Low | 52.3 | Low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.2 | 174.1 | -69.9 | 165.2 | 0 | 0 | 0 | 110.8 | S205 | S205-L207 PolarHBondContact O-N 3.05Š|
| 208 | P | 51.9 | Low | 51.7 | Low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72 | 130 | 172.5 | 27.5 | -30.7 | 0 | 0 | 0 | 111 | ||
| 209 | S | 53.3 | Low | 50.6 | Low | 125 Ų | 125 | 145.9 Ų | 145.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 123 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 210 | S | 40 | Very low | 49.7 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -179.7 | 104 | 148.9 | 164.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 211 | R | 36.8 | Very low | 49 | Very low | 235 Ų | 235 | 148.3 Ų | 148.3 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | 64.6 | 137.7 | 128.7 | -149.3 | 169 | 165.6 | -166.4 | -5.8 | 121.3 | |||||
| 212 | P | 46.5 | Very low | 47.9 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -92.5 | 142.2 | -168.1 | 36.1 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 213 | S | 36.7 | Very low | 47.4 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -131.8 | 106.3 | 164.1 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 214 | R | 36.3 | Very low | 46.8 | Very low | 241 Ų | 241 | 148.2 Ų | 148.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 32.9 | 113.3 | 135.7 | -163 | 169.6 | -176.7 | -177.2 | 0.2 | 120.2 | ||||
| 215 | A | 42.4 | Very low | 46.5 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | 52 | 126.3 | 136 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 216 | T | 36.5 | Very low | 46.3 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -155.3 | 132.5 | 126.3 | 41.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 217 | T | 44.2 | Very low | 46.4 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -72.7 | 134 | 165 | 37.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 218 | K | 41.9 | Very low | 46.9 | Very low | 210 Ų | 210 | 143.9 Ų | 143.9 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | 173.7 | 112.5 | 146.3 | -102 | 171.5 | -176.4 | -176.4 | 0 | 112.1 | ||||
| 219 | K | 38.3 | Very low | 47.4 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 177 | 110.1 | 132.3 | -118.6 | -173.3 | 173.7 | -167.9 | 0 | 109.5 | E222 | K219-E222 IonicContact NZ-OE1 2.7Å; K219-E222 PolarHBondContact NZ-OE1 3Å | ||
| 220 | R | 44.5 | Very low | 47.6 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | trans | -141.1 | 80.9 | 163.5 | -176.5 | -178.7 | -176.3 | -110.5 | -4.4 | 106.2 | ||||
| 221 | V | 48.2 | Very low | 48.9 | Very low | 109 Ų | 109 | 144 Ų | 144 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -144.4 | -9.6 | 172.1 | -164.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 222 | E | 49.3 | Very low | 50.5 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -81.6 | -16.6 | -174.5 | -81.8 | 165.8 | -179 | 0 | 0 | 115 | K219 D224 | K219-E222 IonicContact NZ-OE1 2.7Å; K219-E222 PolarHBondContact NZ-OE1 3Å; E222-D224 PolarHBondContact O-N 3.24Å |
| 223 | D | 49.4 | Very low | 51.3 | Low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -79.6 | -8.8 | -175.1 | -74.7 | -23.6 | 0 | 0 | 0 | 114.6 | V227 | D223-V227 WeakPolarHBondContact O-CG2 3.47Š|
| 224 | D | 53.8 | Low | 52.6 | Low | 120 Ų | 120 | 139.3 Ų | 139.3 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -92.1 | -21.8 | -177.2 | -80.6 | -20.9 | 0 | 0 | 0 | 113.4 | E222 | E222-D224 PolarHBondContact O-N 3.24Š|
| 225 | D | 53.4 | Low | 53.1 | Low | 103 Ų | 103 | 137.4 Ų | 137.4 | 55% | 0.551 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -80.4 | -32.3 | -178.7 | -69.9 | -36.8 | 0 | 0 | 0 | 111.9 | R228 M229 | D225-R228 PolarHBondContact O-N 3.16Å; D225-M229 PolarHBondContact O-N 3.47Å |
| 226 | D | 56.9 | Low | 53.6 | Low | 106 Ų | 106 | 140 Ų | 140 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -70.9 | -31.9 | 178.2 | -69 | -22.7 | 0 | 0 | 0 | 112.6 | R228 M229 L230 | D226-R228 VanDerWaalsContact C-N 3.31Å; D226-M229 PolarHBondContact O-N 3.15Å; D226-L230 PolarHBondContact O-N 3.24Å |
| 227 | V | 59.6 | Low | 54.5 | Low | 98 Ų | 98 | 139.7 Ų | 139.7 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -73 | -28.1 | 177.2 | -152.3 | 0 | 0 | 0 | 0 | 111.4 | D223 | D223-V227 WeakPolarHBondContact O-CG2 3.47Å |
| 228 | R | 64.1 | Low | 55.1 | Low | 193 Ų | 193 | 140 Ų | 140 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77.2 | -31.4 | 176.4 | -77.4 | 178.4 | 170.2 | 174.2 | -1.4 | 112.5 | D225 D226 L230 A231 | D225-R228 PolarHBondContact O-N 3.16Å; D226-R228 VanDerWaalsContact C-N 3.31Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 3.19Å; R228-A231 PolarHBondContact O-N 2.81Å |
| 229 | M | 63.3 | Low | 55.8 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -68.9 | -27.3 | 173.5 | -99.5 | -139.7 | -109.4 | 0 | 0 | 113.6 | D225 D226 S232 | D225-M229 PolarHBondContact O-N 3.47Å; D226-M229 PolarHBondContact O-N 3.15Å; M229-S232 PolarHBondContact O-OG 3.02Å; M229-S232 VanDerWaalsContact O-OG 3.07Å |
| 230 | L | 58.1 | Low | 56.9 | Low | 149 Ų | 149 | 134 Ų | 134 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -77.6 | -20.7 | 178.4 | -115.2 | 132.7 | 0 | 0 | 0 | 113.8 | D226 R228 | D226-L230 PolarHBondContact O-N 3.24Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 3.19Å |
| 231 | A | 67.3 | Low | 57.8 | Low | 76 Ų | 76 | 127.5 Ų | 127.5 | 63% | 0.628 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -83.9 | -15.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | R228 | R228-A231 PolarHBondContact O-N 2.81Š|
| 232 | S | 70.6 | Confident | 58.4 | Low | 77 Ų | 77 | 128.8 Ų | 128.8 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.8 | -178 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | M229 | M229-S232 PolarHBondContact O-OG 3.02Å; M229-S232 VanDerWaalsContact O-OG 3.07Å |
| 233 | W | 62.8 | Low | 59.1 | Low | 236 Ų | 236 | 129.5 Ų | 129.5 | 89% | 0.894 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 9.3 | 178.3 | -81.5 | 74 | 0 | 0 | 0 | 113.7 | ||
| 234 | G | 64.4 | Low | 60 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | -121.6 | 34.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 235 | T | 45.1 | Very low | 60.5 | Low | 202 Ų | 202 | 131 Ų | 131 | 100% | 1.239 | 72% | 0.715 | S | S | * | * | trans | -126.8 | 0 | 166.2 | 55.7 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 235 of 235 residues in 45.2 ms
(Link to these results)