| 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 | 34.7 | Very low | 39.1 | Very low | 232 Ų | 232 | 161.1 Ų | 161.1 | 100% | 1.143 | 85% | 0.851 | S | S | * | * | 0 | 143.9 | 0 | -69.8 | -62.6 | -163.4 | 0 | 0 | 108.3 | |||||
| 2 | P | 45.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 158 Ų | 158 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | cis | -90.3 | 168.7 | -38.2 | 37.5 | -28.7 | 0 | 0 | 0 | 110.1 | ||||
| 3 | S | 43.6 | Very low | 38.4 | Very low | 103 Ų | 103 | 162 Ų | 162 | 72% | 0.72 | 84% | 0.835 | S | S | * | * | cis | 79.5 | 84.9 | 16.3 | 82.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 4 | T | 43.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 166.7 Ų | 166.7 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -124.5 | 109.1 | 164.2 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | K | 43 | Very low | 38 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | trans | -108.3 | 124.4 | 167.1 | -68.9 | 174.4 | 179.2 | 171.6 | 0 | 108.7 | ||||
| 6 | T | 36.4 | Very low | 38 | Very low | 142 Ų | 142 | 163.7 Ų | 163.7 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | trans | -174.4 | 151.7 | 155 | 21.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 36.8 | Very low | 37.7 | Very low | 111 Ų | 111 | 157.8 Ų | 157.8 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | cis | -148.6 | 169 | -3.7 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | K | 38.7 | Very low | 37.6 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -87.6 | 145.8 | 173.3 | -62.5 | 166.5 | -179.1 | 167.8 | 0 | 110.1 | ||||
| 9 | S | 36.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 161.5 Ų | 161.5 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -127 | 147.2 | 146.3 | 67.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | K | 35.9 | Very low | 37.1 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -160.4 | 157.1 | -177.1 | -177.4 | 173.6 | -179.8 | 175.3 | 0 | 107.5 | ||||
| 11 | R | 36.2 | Very low | 36.9 | Very low | 202 Ų | 202 | 156.7 Ų | 156.7 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | 72.2 | 148.5 | 172.8 | -94 | -176.7 | 148.5 | -174.1 | -23.2 | 114.2 | ||||
| 12 | E | 33.9 | Very low | 36.9 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 58% | 0.579 | 81% | 0.805 | S | S | * | * | cis | -162.8 | 150.8 | -9.1 | -155.4 | 159.2 | -143.5 | 0 | 0 | 110.4 | ||||
| 13 | K | 35.9 | Very low | 36.7 | Very low | 210 Ų | 210 | 156.2 Ų | 156.2 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | -172.4 | 144.9 | 122 | -103.2 | 162 | -174.9 | 175.8 | 0 | 113.1 | |||||
| 14 | R | 35.8 | Very low | 36.2 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -92.6 | 140.8 | 169.7 | -72.7 | 168.2 | 156.3 | 178.6 | -5.3 | 109.6 | ||||
| 15 | G | 33.9 | Very low | 36.3 | Very low | 81 Ų | 81 | 156.7 Ų | 156.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -108.4 | 140.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 16 | K | 39.3 | Very low | 36.1 | Very low | 204 Ų | 204 | 156.6 Ų | 156.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -152.3 | 104.4 | -175.5 | -171.3 | -179.5 | -178.9 | -179.3 | 0 | 113.9 | ||||
| 17 | G | 32.7 | Very low | 36.2 | Very low | 64 Ų | 64 | 155.8 Ų | 155.8 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | -140.3 | 138.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 18 | K | 36.1 | Very low | 36.4 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | 62 | 125.4 | 55.8 | -76.5 | -172.8 | 175.3 | 179.6 | 0 | 112 | |||||
| 19 | K | 35.3 | Very low | 37 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | cis | -163.5 | 153.3 | -4.1 | -151 | -172.5 | -179.3 | -166.5 | 0 | 110.8 | ||||
| 20 | S | 29.4 | Very low | 37.7 | Very low | 104 Ų | 104 | 161.5 Ų | 161.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 48.5 | 110.2 | 149.6 | 55.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 21 | S | 31.7 | Very low | 38.5 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | -155.9 | 102.7 | 128.9 | -165.8 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 22 | K | 35.8 | Very low | 39.9 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 76.6 | 120 | 96.1 | -162.2 | -165.8 | 173.9 | -139.7 | 0 | 112.6 | E24 | K22-E24 IonicContact NZ-OE1 2.6Å; K22-E24 PolarHBondContact NZ-OE1 2.99Å | |||
| 23 | H | 40.6 | Very low | 41.8 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 134.5 | 179.4 | -151.9 | -71 | 0 | 0 | 0 | 110.5 | ||||
| 24 | E | 32.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | trans | -147.9 | 122.4 | 161.3 | -114.8 | 161 | -123.6 | 0 | 0 | 108 | K22 K26 | K22-E24 IonicContact NZ-OE1 2.6Å; K22-E24 PolarHBondContact NZ-OE1 2.99Å; E24-K26 PolarHBondContact O-N 3.32Å | ||
| 25 | P | 46.8 | Very low | 45.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | -75.4 | 111.9 | -178.9 | 30.5 | -31.7 | 0 | 0 | 0 | 108.8 | T27 | P25-T27 PolarHBondContact O-N 3.34Å; P25-T27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | K | 37.4 | Very low | 48 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -71.7 | 106 | 166.7 | -80.5 | -168.8 | 173.6 | -176.1 | 0 | 108.1 | E24 E28 | E24-K26 PolarHBondContact O-N 3.32Å; K26-E28 PolarHBondContact O-N 2.73Å | ||
| 27 | T | 37.9 | Very low | 50.2 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -34.8 | 122.5 | 167.4 | 35.1 | 0 | 0 | 0 | 0 | 111.1 | P25 K29 | P25-T27 PolarHBondContact O-N 3.34Å; P25-T27 VanDerWaalsContact O-N 3.07Å; T27-K29 PolarHBondContact O-N 3.22Å | ||
| 28 | E | 41.3 | Very low | 52.6 | Low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -61.3 | 102.2 | 165.6 | -67.3 | 173.8 | 130 | 0 | 0 | 107 | K26 E30 | K26-E28 PolarHBondContact O-N 2.73Å; E28-E30 VanDerWaalsContact C-N 3.33Å; E28-E30 PolarHBondContact O-N 2.99Å; E28-E30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | K | 52.8 | Low | 55.1 | Low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -64.6 | 107.8 | 153.9 | -74.8 | -168.8 | 175.5 | -171.9 | 0 | 104.7 | T27 P31 | T27-K29 PolarHBondContact O-N 3.22Å; K29-P31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | E | 50.3 | Low | 57.7 | Low | 179 Ų | 179 | 125.6 Ų | 125.6 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | trans | -41.7 | 119 | 176.5 | -170.2 | 168.8 | -146.2 | 0 | 0 | 108.6 | E28 D32 | E28-E30 VanDerWaalsContact C-N 3.33Å; E28-E30 PolarHBondContact O-N 2.99Å; E28-E30 VanDerWaalsContact O-N 3.1Å; E30-D32 PolarHBondContact O-N 3.02Å | ||
| 31 | P | 52.8 | Low | 60.6 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 51% | 0.506 | 65% | 0.646 | S | S | . | * | trans | -67.4 | 115.2 | -170.9 | 25.9 | -32.9 | 0 | 0 | 0 | 108.1 | K29 L33 A36 | K29-P31 VanDerWaalsContact O-N 3.14Å; P31-L33 PolarHBondContact O-N 3.46Å; P31-A36 HydrophobicContact CB-CB 4.33Å; P31-A36 HydrophobicContact CG-CB 4.31Å | ||
| 32 | D | 65 | Low | 63.5 | Low | 117 Ų | 117 | 121.5 Ų | 121.5 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | trans | -42.5 | 127 | 177.1 | -170.2 | -7.3 | 0 | 0 | 0 | 109.2 | E30 E34 T35 A36 | E30-D32 PolarHBondContact O-N 3.02Å; D32-E34 PolarHBondContact O-N 3.39Å; D32-T35 HydrophobicContact CB-CG2 4.18Å; D32-T35 PolarHBondContact N-OG1 3.06Å; D32-T35 WeakPolarHBondContact O-CA 3.45Å; D32-T35 WeakPolarHBondContact O-CB 3.5Å; D32-T35 PolarHBondContact O-N 3.35Å; D32-T35 PolarHBondContact O-OG1 3.14Å; D32-A36 PolarHBondContact O-N 3.35Å; D32-A36 VanDerWaalsContact O-N 3.11Å | ||
| 33 | L | 73.9 | Confident | 66.2 | Low | 122 Ų | 122 | 121.5 Ų | 121.5 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -58.7 | -28.5 | -156.7 | -78.7 | 168.3 | 0 | 0 | 0 | 112.7 | P31 R37 | P31-L33 PolarHBondContact O-N 3.46Å; L33-R37 WeakPolarHBondContact O-CB 3.37Å; L33-R37 WeakPolarHBondContact O-CD 3.29Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 3Å |
| 34 | E | 75.1 | Confident | 68.8 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.7 | -37.4 | 173.3 | -57.7 | -163.5 | 144.6 | 0 | 0 | 112.9 | D32 R37 A38 | D32-E34 PolarHBondContact O-N 3.39Å; E34-R37 PolarHBondContact O-N 3Å; E34-A38 VanDerWaalsContact O-CB 3.23Å; E34-A38 WeakPolarHBondContact O-CB 3.24Å; E34-A38 PolarHBondContact O-N 2.77Å |
| 35 | T | 80 | Confident | 71.7 | Confident | 66 Ų | 66 | 116.5 Ų | 116.5 | 41% | 0.405 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.7 | -36.2 | 173.3 | 72.1 | 0 | 0 | 0 | 0 | 112 | D32 N39 | D32-T35 HydrophobicContact CB-CG2 4.18Å; D32-T35 PolarHBondContact N-OG1 3.06Å; D32-T35 WeakPolarHBondContact O-CA 3.45Å; D32-T35 WeakPolarHBondContact O-CB 3.5Å; D32-T35 PolarHBondContact O-N 3.35Å; D32-T35 PolarHBondContact O-OG1 3.14Å; T35-N39 WeakPolarHBondContact O-CB 3.19Å; T35-N39 PolarHBondContact O-N 3.26Å; T35-N39 PolarHBondContact O-ND2 3.23Å |
| 36 | A | 81.9 | Confident | 74 | Confident | 37 Ų | 37 | 116 Ų | 116 | 31% | 0.306 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -47.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P31 D32 N39 A40 | P31-A36 HydrophobicContact CB-CB 4.33Å; P31-A36 HydrophobicContact CG-CB 4.31Å; D32-A36 PolarHBondContact O-N 3.35Å; D32-A36 VanDerWaalsContact O-N 3.11Å; A36-N39 PolarHBondContact O-N 2.98Å; A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 2.86Å |
| 37 | R | 83.8 | Confident | 76.7 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -43.9 | 175.9 | -73.9 | 168.1 | 179 | 177.6 | 0.3 | 113 | L33 E34 A40 A41 | L33-R37 WeakPolarHBondContact O-CB 3.37Å; L33-R37 WeakPolarHBondContact O-CD 3.29Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 3Å; E34-R37 PolarHBondContact O-N 3Å; R37-A40 PolarHBondContact O-N 3.38Å; R37-A41 WeakPolarHBondContact O-CB 3.35Å; R37-A41 PolarHBondContact O-N 3.33Å |
| 38 | A | 84.5 | Confident | 79.4 | Confident | 62 Ų | 62 | 110.2 Ų | 110.2 | 51% | 0.512 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | E34 L42 | E34-A38 VanDerWaalsContact O-CB 3.23Å; E34-A38 WeakPolarHBondContact O-CB 3.24Å; E34-A38 PolarHBondContact O-N 2.77Å; A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 PolarHBondContact O-N 3.2Å |
| 39 | N | 87.4 | Confident | 81.9 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 173 | -77.3 | -56 | 0 | 0 | 0 | 111.8 | T35 A36 L42 W43 | T35-N39 WeakPolarHBondContact O-CB 3.19Å; T35-N39 PolarHBondContact O-N 3.26Å; T35-N39 PolarHBondContact O-ND2 3.23Å; A36-N39 PolarHBondContact O-N 2.98Å; N39-L42 PolarHBondContact O-N 3.01Å; N39-W43 PolarHBondContact O-N 3.31Å |
| 40 | A | 89.8 | Confident | 83.9 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A36 R37 L42 W43 E44 | A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 2.86Å; R37-A40 PolarHBondContact O-N 3.38Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 2.9Å; A40-W43 CarbonylContact O-C 3.56Å; A40-W43 PolarHBondContact O-N 3.03Å; A40-W43 VanDerWaalsContact O-N 3.08Å; A40-E44 PolarHBondContact O-N 2.83Å |
| 41 | A | 90.3 | Very high | 86 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R37 E44 L45 | R37-A41 WeakPolarHBondContact O-CB 3.35Å; R37-A41 PolarHBondContact O-N 3.33Å; A41-E44 PolarHBondContact O-N 3.04Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 3.18Å |
| 42 | L | 92.6 | Very high | 88 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 174.6 | -176.2 | 149.5 | 0 | 0 | 0 | 112.3 | A38 N39 A40 K46 | A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 PolarHBondContact O-N 3.2Å; N39-L42 PolarHBondContact O-N 3.01Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 2.9Å; L42-K46 HydrophobicContact CD2-CD 3.99Å; L42-K46 WeakPolarHBondContact O-CG 3.06Å; L42-K46 PolarHBondContact O-N 2.93Å; L42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | W | 94.1 | Very high | 89.4 | Confident | 165 Ų | 165 | 95.4 Ų | 95.4 | 63% | 0.625 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.5 | -39.3 | 171.9 | -73.8 | 118.2 | 0 | 0 | 0 | 112.5 | N39 A40 K46 L47 | N39-W43 PolarHBondContact O-N 3.31Å; A40-W43 CarbonylContact O-C 3.56Å; A40-W43 PolarHBondContact O-N 3.03Å; A40-W43 VanDerWaalsContact O-N 3.08Å; W43-K46 HydrophobicContact CE3-CD 3.81Å; W43-K46 HydrophobicContact CZ3-CD 3.9Å; W43-K46 PolarHBondContact O-N 2.83Å; W43-L47 WeakPolarHBondContact O-CB 3.42Å; W43-L47 PolarHBondContact O-N 2.83Å |
| 44 | E | 93.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 171.2 | -78.2 | -172.9 | -145.2 | 0 | 0 | 112.3 | A40 A41 L47 K48 | A40-E44 PolarHBondContact O-N 2.83Å; A41-E44 PolarHBondContact O-N 3.04Å; E44-L47 PolarHBondContact O-N 2.92Å; E44-K48 WeakPolarHBondContact O-CB 3.49Å; E44-K48 WeakPolarHBondContact O-CD 3.45Å; E44-K48 VanDerWaalsContact O-CG 3.27Å; E44-K48 WeakPolarHBondContact O-CG 3.25Å; E44-K48 PolarHBondContact O-N 3.32Å; E44-K48 IonicContact OE2-NZ 3.02Å; E44-K48 PolarHBondContact OE2-NZ 3.13Å |
| 45 | L | 94.2 | Very high | 91.4 | Very high | 105 Ų | 105 | 90.1 Ų | 90.1 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 178.1 | -179.1 | 61.4 | 0 | 0 | 0 | 111.1 | A41 K48 I49 | A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 3.18Å; L45-K48 PolarHBondContact O-N 2.97Å; L45-I49 HydrophobicContact CD1-CD1 4.31Å; L45-I49 HydrophobicContact CG-CD1 4.11Å; L45-I49 WeakPolarHBondContact O-CD1 3.49Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 3.11Å |
| 46 | K | 94.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 91.1 Ų | 91.1 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 172.8 | -77.4 | 173.9 | 177.4 | 174.2 | 0 | 112.2 | L42 W43 I49 T50 | L42-K46 HydrophobicContact CD2-CD 3.99Å; L42-K46 WeakPolarHBondContact O-CG 3.06Å; L42-K46 PolarHBondContact O-N 2.93Å; L42-K46 VanDerWaalsContact O-N 3.13Å; W43-K46 HydrophobicContact CE3-CD 3.81Å; W43-K46 HydrophobicContact CZ3-CD 3.9Å; W43-K46 PolarHBondContact O-N 2.83Å; K46-I49 PolarHBondContact O-N 3.16Å; K46-T50 PolarHBondContact O-N 2.67Å; K46-T50 PolarHBondContact O-OG1 2.69Å |
| 47 | L | 94.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -52.7 | 177.7 | 179.8 | 61.3 | 0 | 0 | 0 | 110.1 | W43 E44 I49 T50 E51 | W43-L47 WeakPolarHBondContact O-CB 3.42Å; W43-L47 PolarHBondContact O-N 2.83Å; E44-L47 PolarHBondContact O-N 2.92Å; L47-I49 VanDerWaalsContact C-N 3.3Å; L47-I49 PolarHBondContact O-N 2.88Å; L47-T50 WeakPolarHBondContact CA-OG1 3.26Å; L47-T50 CarbonylContact O-C 3.55Å; L47-T50 PolarHBondContact O-N 2.82Å; L47-T50 PolarHBondContact O-OG1 3.26Å; L47-E51 HydrophobicContact CD1-CG 4.08Å; L47-E51 HydrophobicContact CG-CG 4.26Å; L47-E51 WeakPolarHBondContact O-CB 3.27Å; L47-E51 WeakPolarHBondContact O-CG 3.43Å; L47-E51 PolarHBondContact O-N 3.34Å |
| 48 | K | 95.6 | Very high | 93.3 | Very high | 114 Ų | 114 | 98.2 Ų | 98.2 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.2 | -40.4 | 177.4 | -72.2 | 160.5 | -175.4 | 158.2 | 0 | 112.7 | E44 L45 E51 Q52 | E44-K48 WeakPolarHBondContact O-CB 3.49Å; E44-K48 WeakPolarHBondContact O-CD 3.45Å; E44-K48 VanDerWaalsContact O-CG 3.27Å; E44-K48 WeakPolarHBondContact O-CG 3.25Å; E44-K48 PolarHBondContact O-N 3.32Å; E44-K48 IonicContact OE2-NZ 3.02Å; E44-K48 PolarHBondContact OE2-NZ 3.13Å; L45-K48 PolarHBondContact O-N 2.97Å; K48-E51 PolarHBondContact O-N 3.15Å; K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 PolarHBondContact O-N 3.43Å |
| 49 | I | 93.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 173.6 | -68.4 | 163.7 | 0 | 0 | 0 | 110.5 | L45 K46 L47 E51 Q52 D53 | L45-I49 HydrophobicContact CD1-CD1 4.31Å; L45-I49 HydrophobicContact CG-CD1 4.11Å; L45-I49 WeakPolarHBondContact O-CD1 3.49Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 3.11Å; K46-I49 PolarHBondContact O-N 3.16Å; L47-I49 VanDerWaalsContact C-N 3.3Å; L47-I49 PolarHBondContact O-N 2.88Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 3.38Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 3.42Å; I49-D53 PolarHBondContact O-N 3.46Å |
| 50 | T | 93 | Very high | 94.2 | Very high | 67 Ų | 67 | 95 Ų | 95 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -27.5 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | K46 L47 L54 | K46-T50 PolarHBondContact O-N 2.67Å; K46-T50 PolarHBondContact O-OG1 2.69Å; L47-T50 WeakPolarHBondContact CA-OG1 3.26Å; L47-T50 CarbonylContact O-C 3.55Å; L47-T50 PolarHBondContact O-N 2.82Å; L47-T50 PolarHBondContact O-OG1 3.26Å; T50-L54 VanDerWaalsContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CB 3.48Å; T50-L54 WeakPolarHBondContact O-CD1 3.39Å; T50-L54 WeakPolarHBondContact O-CG 3.14Å; T50-L54 PolarHBondContact O-N 2.99Å |
| 51 | E | 94.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.4 | -39.7 | 172.9 | -73.7 | 173.1 | 151.7 | 0 | 0 | 111.2 | L47 K48 I49 S55 | L47-E51 HydrophobicContact CD1-CG 4.08Å; L47-E51 HydrophobicContact CG-CG 4.26Å; L47-E51 WeakPolarHBondContact O-CB 3.27Å; L47-E51 WeakPolarHBondContact O-CG 3.43Å; L47-E51 PolarHBondContact O-N 3.34Å; K48-E51 PolarHBondContact O-N 3.15Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 3.38Å; E51-S55 WeakPolarHBondContact O-CB 3.46Å; E51-S55 PolarHBondContact O-N 3.01Å |
| 52 | Q | 95.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 171.7 | -175.6 | 60.7 | 47.2 | 0 | 0 | 111 | K48 I49 L54 S55 D56 | K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 PolarHBondContact O-N 3.43Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 3.42Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.44Å; Q52-S55 WeakPolarHBondContact O-CA 3.42Å; Q52-S55 WeakPolarHBondContact O-CB 3.35Å; Q52-S55 PolarHBondContact O-N 3.32Å; Q52-D56 PolarHBondContact NE2-OD1 3.1Å; Q52-D56 PolarHBondContact NE2-OD2 3.14Å; Q52-D56 PolarHBondContact O-N 3.45Å |
| 53 | D | 93.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 104.1 Ų | 104.1 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52.9 | -48.1 | 175.2 | -67.9 | -29.4 | 0 | 0 | 0 | 110.9 | I49 S55 D56 Y57 | I49-D53 PolarHBondContact O-N 3.46Å; D53-S55 VanDerWaalsContact C-N 3.33Å; D53-S55 PolarHBondContact O-N 3.09Å; D53-D56 PolarHBondContact O-N 3.35Å; D53-Y57 HydrophobicContact CB-CD2 4.49Å; D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CB 3.4Å; D53-Y57 WeakPolarHBondContact O-CD2 3.4Å; D53-Y57 PolarHBondContact O-N 2.95Å |
| 54 | L | 96.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 101.6 Ų | 101.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 177.9 | -76.5 | 170.4 | 0 | 0 | 0 | 113.1 | T50 Q52 R58 | T50-L54 VanDerWaalsContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CB 3.48Å; T50-L54 WeakPolarHBondContact O-CD1 3.39Å; T50-L54 WeakPolarHBondContact O-CG 3.14Å; T50-L54 PolarHBondContact O-N 2.99Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.44Å; L54-R58 WeakPolarHBondContact O-CB 3.24Å; L54-R58 WeakPolarHBondContact O-CD 3.29Å; L54-R58 WeakPolarHBondContact O-CG 3.28Å; L54-R58 PolarHBondContact O-N 2.93Å; L54-R58 VanDerWaalsContact O-N 3.11Å |
| 55 | S | 95.6 | Very high | 95 | Very high | 64 Ų | 64 | 99.9 Ų | 99.9 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | E51 Q52 D53 R58 G59 | E51-S55 WeakPolarHBondContact O-CB 3.46Å; E51-S55 PolarHBondContact O-N 3.01Å; Q52-S55 WeakPolarHBondContact O-CA 3.42Å; Q52-S55 WeakPolarHBondContact O-CB 3.35Å; Q52-S55 PolarHBondContact O-N 3.32Å; D53-S55 VanDerWaalsContact C-N 3.33Å; D53-S55 PolarHBondContact O-N 3.09Å; S55-R58 WeakPolarHBondContact O-CB 3.49Å; S55-R58 PolarHBondContact O-N 3.14Å; S55-G59 PolarHBondContact O-N 3.31Å |
| 56 | D | 94.5 | Very high | 95.1 | Very high | 87 Ų | 87 | 97 Ų | 97 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | -178 | -65.7 | -28.1 | 0 | 0 | 0 | 111.7 | Q52 D53 R58 G59 A60 | Q52-D56 PolarHBondContact NE2-OD1 3.1Å; Q52-D56 PolarHBondContact NE2-OD2 3.14Å; Q52-D56 PolarHBondContact O-N 3.45Å; D53-D56 PolarHBondContact O-N 3.35Å; D56-R58 VanDerWaalsContact C-N 3.34Å; D56-R58 PolarHBondContact O-N 3.24Å; D56-G59 PolarHBondContact O-N 3.15Å; D56-A60 WeakPolarHBondContact O-CB 3.46Å; D56-A60 PolarHBondContact O-N 3.07Å |
| 57 | Y | 94.7 | Very high | 95.1 | Very high | 177 Ų | 177 | 96.9 Ų | 96.9 | 69% | 0.694 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 169.2 | -78.4 | -59 | 0 | 0 | 0 | 112.6 | D53 H61 | D53-Y57 HydrophobicContact CB-CD2 4.49Å; D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CB 3.4Å; D53-Y57 WeakPolarHBondContact O-CD2 3.4Å; D53-Y57 PolarHBondContact O-N 2.95Å; Y57-H61 WeakPolarHBondContact O-CB 3.38Å; Y57-H61 PolarHBondContact O-N 2.94Å |
| 58 | R | 96.3 | Very high | 95.1 | Very high | 184 Ų | 184 | 96.8 Ų | 96.8 | 69% | 0.694 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 174.7 | -75.2 | 166.6 | -177 | -176.8 | 2.9 | 111.6 | L54 S55 D56 H61 H62 | L54-R58 WeakPolarHBondContact O-CB 3.24Å; L54-R58 WeakPolarHBondContact O-CD 3.29Å; L54-R58 WeakPolarHBondContact O-CG 3.28Å; L54-R58 PolarHBondContact O-N 2.93Å; L54-R58 VanDerWaalsContact O-N 3.11Å; S55-R58 WeakPolarHBondContact O-CB 3.49Å; S55-R58 PolarHBondContact O-N 3.14Å; D56-R58 VanDerWaalsContact C-N 3.34Å; D56-R58 PolarHBondContact O-N 3.24Å; R58-H61 PolarHBondContact O-N 3.47Å; R58-H62 WeakPolarHBondContact O-CB 3.46Å; R58-H62 PolarHBondContact O-N 3.1Å |
| 59 | G | 96.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 97 Ų | 97 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S55 D56 H61 H62 N63 | S55-G59 PolarHBondContact O-N 3.31Å; D56-G59 PolarHBondContact O-N 3.15Å; G59-H61 PolarHBondContact O-N 3.48Å; G59-H62 PolarHBondContact O-N 3Å; G59-N63 WeakPolarHBondContact O-CB 3.37Å; G59-N63 PolarHBondContact O-N 3.23Å; G59-N63 PolarHBondContact O-ND2 3.38Å |
| 60 | A | 94.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 97.3 Ų | 97.3 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D56 N63 M64 | D56-A60 WeakPolarHBondContact O-CB 3.46Å; D56-A60 PolarHBondContact O-N 3.07Å; A60-N63 PolarHBondContact O-N 2.82Å; A60-M64 WeakPolarHBondContact O-CB 3.46Å; A60-M64 WeakPolarHBondContact O-CG 3.49Å; A60-M64 PolarHBondContact O-N 2.73Å |
| 61 | H | 94.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 97.9 Ų | 97.9 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 176.2 | -173.6 | -72.3 | 0 | 0 | 0 | 112.2 | Y57 R58 G59 M64 V65 | Y57-H61 WeakPolarHBondContact O-CB 3.38Å; Y57-H61 PolarHBondContact O-N 2.94Å; R58-H61 PolarHBondContact O-N 3.47Å; G59-H61 PolarHBondContact O-N 3.48Å; H61-M64 PolarHBondContact O-N 3.41Å; H61-V65 WeakPolarHBondContact O-CG2 3.4Å; H61-V65 PolarHBondContact O-N 2.87Å |
| 62 | H | 96.8 | Very high | 95.4 | Very high | 134 Ų | 134 | 97.3 Ų | 97.3 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 178.2 | -172 | 60 | 0 | 0 | 0 | 111.9 | R58 G59 M64 V65 S66 | R58-H62 WeakPolarHBondContact O-CB 3.46Å; R58-H62 PolarHBondContact O-N 3.1Å; G59-H62 PolarHBondContact O-N 3Å; H62-M64 PolarHBondContact O-N 3.01Å; H62-V65 PolarHBondContact O-N 2.96Å; H62-S66 WeakPolarHBondContact O-CB 3.38Å; H62-S66 PolarHBondContact O-N 3.21Å |
| 63 | N | 96.3 | Very high | 95.5 | Very high | 109 Ų | 109 | 96.1 Ų | 96.1 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 174.3 | -68.7 | -13.6 | 0 | 0 | 0 | 111.8 | G59 A60 S66 M67 | G59-N63 WeakPolarHBondContact O-CB 3.37Å; G59-N63 PolarHBondContact O-N 3.23Å; G59-N63 PolarHBondContact O-ND2 3.38Å; A60-N63 PolarHBondContact O-N 2.82Å; N63-S66 PolarHBondContact O-N 3.49Å; N63-M67 WeakPolarHBondContact O-CB 3.43Å; N63-M67 PolarHBondContact O-N 3.43Å |
| 64 | M | 94.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 98.2 Ų | 98.2 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -38.5 | 175.4 | -75.7 | -58.5 | -54.6 | 0 | 0 | 112.9 | A60 H61 H62 N68 | A60-M64 WeakPolarHBondContact O-CB 3.46Å; A60-M64 WeakPolarHBondContact O-CG 3.49Å; A60-M64 PolarHBondContact O-N 2.73Å; H61-M64 PolarHBondContact O-N 3.41Å; H62-M64 PolarHBondContact O-N 3.01Å; M64-N68 WeakPolarHBondContact O-CB 3.28Å; M64-N68 PolarHBondContact O-N 3.4Å; M64-N68 PolarHBondContact O-ND2 2.95Å |
| 65 | V | 95.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 98.9 Ų | 98.9 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | H61 H62 M67 N68 E69 | H61-V65 WeakPolarHBondContact O-CG2 3.4Å; H61-V65 PolarHBondContact O-N 2.87Å; H62-V65 PolarHBondContact O-N 2.96Å; V65-M67 VanDerWaalsContact C-N 3.35Å; V65-M67 PolarHBondContact O-N 3.01Å; V65-N68 PolarHBondContact O-N 3.26Å; V65-E69 WeakPolarHBondContact O-CB 3.46Å; V65-E69 PolarHBondContact O-N 3.45Å |
| 66 | S | 96.1 | Very high | 95.6 | Very high | 45 Ų | 45 | 101.9 Ų | 101.9 | 32% | 0.315 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | H62 N63 E69 Q70 | H62-S66 WeakPolarHBondContact O-CB 3.38Å; H62-S66 PolarHBondContact O-N 3.21Å; N63-S66 PolarHBondContact O-N 3.49Å; S66-E69 PolarHBondContact O-N 3.05Å; S66-Q70 WeakPolarHBondContact O-CB 3.48Å; S66-Q70 VanDerWaalsContact O-CG 3.23Å; S66-Q70 WeakPolarHBondContact O-CG 2.93Å; S66-Q70 PolarHBondContact O-N 3.41Å; S66-Q70 PolarHBondContact OG-NE2 3.37Å; S66-Q70 VanDerWaalsContact OG-NE2 3.14Å |
| 67 | M | 95.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 106 Ų | 106 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 175.7 | -173.8 | 62.3 | 71.2 | 0 | 0 | 111.8 | N63 V65 E69 Q70 L71 | N63-M67 WeakPolarHBondContact O-CB 3.43Å; N63-M67 PolarHBondContact O-N 3.43Å; V65-M67 VanDerWaalsContact C-N 3.35Å; V65-M67 PolarHBondContact O-N 3.01Å; M67-E69 PolarHBondContact O-N 2.8Å; M67-Q70 PolarHBondContact O-N 2.9Å; M67-L71 HydrophobicContact CG-CD1 4.12Å; M67-L71 WeakPolarHBondContact O-CB 3.44Å; M67-L71 VanDerWaalsContact O-CG 3.3Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å |
| 68 | N | 94.3 | Very high | 95.6 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.7 | -74.8 | -17.5 | 0 | 0 | 0 | 111.5 | M64 V65 L71 T72 | M64-N68 WeakPolarHBondContact O-CB 3.28Å; M64-N68 PolarHBondContact O-N 3.4Å; M64-N68 PolarHBondContact O-ND2 2.95Å; V65-N68 PolarHBondContact O-N 3.26Å; N68-L71 PolarHBondContact O-N 3.39Å; N68-T72 WeakPolarHBondContact O-CB 3.37Å; N68-T72 PolarHBondContact O-N 3.26Å; N68-T72 PolarHBondContact O-OG1 2.9Å |
| 69 | E | 96.6 | Very high | 95.5 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176 | -177.2 | 173.1 | -171.9 | 0 | 0 | 111.9 | V65 S66 M67 T72 N73 | V65-E69 WeakPolarHBondContact O-CB 3.46Å; V65-E69 PolarHBondContact O-N 3.45Å; S66-E69 PolarHBondContact O-N 3.05Å; M67-E69 PolarHBondContact O-N 2.8Å; E69-T72 PolarHBondContact O-N 3.25Å; E69-N73 WeakPolarHBondContact O-CB 3.29Å; E69-N73 PolarHBondContact O-N 3.38Å; E69-N73 PolarHBondContact O-ND2 2.71Å |
| 70 | Q | 96.4 | Very high | 95.5 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.4 | -73.7 | 171.9 | 39.8 | 0 | 0 | 111.9 | S66 M67 N73 Q74 | S66-Q70 WeakPolarHBondContact O-CB 3.48Å; S66-Q70 VanDerWaalsContact O-CG 3.23Å; S66-Q70 WeakPolarHBondContact O-CG 2.93Å; S66-Q70 PolarHBondContact O-N 3.41Å; S66-Q70 PolarHBondContact OG-NE2 3.37Å; S66-Q70 VanDerWaalsContact OG-NE2 3.14Å; M67-Q70 PolarHBondContact O-N 2.9Å; Q70-N73 PolarHBondContact O-N 3.11Å; Q70-Q74 WeakPolarHBondContact O-CG 3.17Å; Q70-Q74 PolarHBondContact O-N 3.19Å |
| 71 | L | 95.7 | Very high | 95.5 | Very high | 80 Ų | 80 | 103.9 Ų | 103.9 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.8 | -71.5 | 169.9 | 0 | 0 | 0 | 112 | M67 N68 N73 Q74 L75 | M67-L71 HydrophobicContact CG-CD1 4.12Å; M67-L71 WeakPolarHBondContact O-CB 3.44Å; M67-L71 VanDerWaalsContact O-CG 3.3Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.07Å; N68-L71 PolarHBondContact O-N 3.39Å; L71-N73 PolarHBondContact O-N 3.47Å; L71-Q74 PolarHBondContact O-N 3.37Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.97Å |
| 72 | T | 95 | Very high | 95.4 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 56% | 0.564 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | N68 E69 Q74 L75 F76 | N68-T72 WeakPolarHBondContact O-CB 3.37Å; N68-T72 PolarHBondContact O-N 3.26Å; N68-T72 PolarHBondContact O-OG1 2.9Å; E69-T72 PolarHBondContact O-N 3.25Å; T72-Q74 VanDerWaalsContact C-N 3.35Å; T72-Q74 PolarHBondContact O-N 2.94Å; T72-L75 PolarHBondContact O-N 3.2Å; T72-F76 WeakPolarHBondContact O-CB 3.47Å; T72-F76 PolarHBondContact O-N 3.08Å |
| 73 | N | 96.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -33.7 | 175.6 | -81.7 | -70.9 | 0 | 0 | 0 | 113.1 | E69 Q70 L71 R77 | E69-N73 WeakPolarHBondContact O-CB 3.29Å; E69-N73 PolarHBondContact O-N 3.38Å; E69-N73 PolarHBondContact O-ND2 2.71Å; Q70-N73 PolarHBondContact O-N 3.11Å; L71-N73 PolarHBondContact O-N 3.47Å; N73-R77 WeakPolarHBondContact O-CB 3.43Å; N73-R77 VanDerWaalsContact O-CG 3.28Å; N73-R77 WeakPolarHBondContact O-CG 3.45Å; N73-R77 PolarHBondContact O-N 3.18Å |
| 74 | Q | 95.8 | Very high | 95.3 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.8 | -43.4 | 174.2 | -74.6 | 176 | 21.6 | 0 | 0 | 111.9 | Q70 L71 T72 R77 C78 | Q70-Q74 WeakPolarHBondContact O-CG 3.17Å; Q70-Q74 PolarHBondContact O-N 3.19Å; L71-Q74 PolarHBondContact O-N 3.37Å; T72-Q74 VanDerWaalsContact C-N 3.35Å; T72-Q74 PolarHBondContact O-N 2.94Å; Q74-R77 PolarHBondContact O-N 3.5Å; Q74-C78 WeakPolarHBondContact O-CB 3.47Å; Q74-C78 PolarHBondContact O-N 2.97Å |
| 75 | L | 94.7 | Very high | 95.3 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -52.1 | 175.4 | -72.4 | 171 | 0 | 0 | 0 | 111 | L71 T72 R77 C78 E79 | L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.97Å; T72-L75 PolarHBondContact O-N 3.2Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.35Å; L75-C78 WeakPolarHBondContact O-CA 3.24Å; L75-C78 WeakPolarHBondContact O-CB 3.27Å; L75-C78 PolarHBondContact O-N 3.29Å; L75-E79 WeakPolarHBondContact O-CG 3.45Å; L75-E79 PolarHBondContact O-N 3.44Å |
| 76 | F | 95.9 | Very high | 95.2 | Very high | 126 Ų | 126 | 98.7 Ų | 98.7 | 55% | 0.553 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.1 | -40.8 | 179.1 | 178.9 | -104.6 | 0 | 0 | 0 | 112.9 | T72 Q80 | T72-F76 WeakPolarHBondContact O-CB 3.47Å; T72-F76 PolarHBondContact O-N 3.08Å; F76-Q80 WeakPolarHBondContact O-CB 3.23Å; F76-Q80 PolarHBondContact O-N 3.49Å |
| 77 | R | 96.3 | Very high | 95.2 | Very high | 175 Ų | 175 | 98.5 Ų | 98.5 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.4 | -36.2 | 174.2 | -73.7 | 176.1 | -178.7 | -158.3 | 1 | 112.9 | N73 Q74 L75 N81 | N73-R77 WeakPolarHBondContact O-CB 3.43Å; N73-R77 VanDerWaalsContact O-CG 3.28Å; N73-R77 WeakPolarHBondContact O-CG 3.45Å; N73-R77 PolarHBondContact O-N 3.18Å; Q74-R77 PolarHBondContact O-N 3.5Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.35Å; R77-N81 VanDerWaalsContact O-CB 3.3Å; R77-N81 WeakPolarHBondContact O-CB 3.3Å; R77-N81 PolarHBondContact O-N 2.92Å; R77-N81 PolarHBondContact O-ND2 3.39Å |
| 78 | C | 93.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -43.9 | 176.5 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | Q74 L75 N81 C82 | Q74-C78 WeakPolarHBondContact O-CB 3.47Å; Q74-C78 PolarHBondContact O-N 2.97Å; L75-C78 WeakPolarHBondContact O-CA 3.24Å; L75-C78 WeakPolarHBondContact O-CB 3.27Å; L75-C78 PolarHBondContact O-N 3.29Å; C78-N81 PolarHBondContact O-N 2.98Å; C78-C82 VanDerWaalsContact O-CB 3.24Å; C78-C82 WeakPolarHBondContact O-CB 3.36Å; C78-C82 PolarHBondContact O-N 3.46Å |
| 79 | E | 94.3 | Very high | 95.2 | Very high | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.8 | -49.9 | 174.5 | -70.5 | 171.3 | 164 | 0 | 0 | 111.3 | L75 C82 V83 | L75-E79 WeakPolarHBondContact O-CG 3.45Å; L75-E79 PolarHBondContact O-N 3.44Å; E79-C82 WeakPolarHBondContact O-CB 3.5Å; E79-C82 PolarHBondContact O-N 2.99Å; E79-V83 WeakPolarHBondContact O-CG2 3.37Å; E79-V83 PolarHBondContact O-N 3.49Å |
| 80 | Q | 96.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.8 | -51.5 | 176.6 | -175.5 | 61.3 | 53.5 | 0 | 0 | 111.8 | F76 C82 V83 D84 | F76-Q80 WeakPolarHBondContact O-CB 3.23Å; F76-Q80 PolarHBondContact O-N 3.49Å; Q80-C82 PolarHBondContact O-N 3.35Å; Q80-V83 PolarHBondContact O-N 3.48Å; Q80-V83 VanDerWaalsContact O-N 3.15Å; Q80-D84 VanDerWaalsContact NE2-CG 3.25Å; Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 PolarHBondContact NE2-OD2 2.72Å; Q80-D84 VanDerWaalsContact O-CG 3.27Å; Q80-D84 PolarHBondContact O-N 3.45Å |
| 81 | N | 95.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -34.4 | 177.5 | -72 | -12.2 | 0 | 0 | 0 | 112.4 | R77 C78 M85 | R77-N81 VanDerWaalsContact O-CB 3.3Å; R77-N81 WeakPolarHBondContact O-CB 3.3Å; R77-N81 PolarHBondContact O-N 2.92Å; R77-N81 PolarHBondContact O-ND2 3.39Å; C78-N81 PolarHBondContact O-N 2.98Å; N81-M85 WeakPolarHBondContact O-CB 3.39Å; N81-M85 PolarHBondContact O-N 2.97Å |
| 82 | C | 92.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.4 | -42.9 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | C78 E79 Q80 T86 | C78-C82 VanDerWaalsContact O-CB 3.24Å; C78-C82 WeakPolarHBondContact O-CB 3.36Å; C78-C82 PolarHBondContact O-N 3.46Å; E79-C82 WeakPolarHBondContact O-CB 3.5Å; E79-C82 PolarHBondContact O-N 2.99Å; Q80-C82 PolarHBondContact O-N 3.35Å; C82-T86 VanDerWaalsContact O-CB 3.29Å; C82-T86 WeakPolarHBondContact O-CB 3.3Å; C82-T86 PolarHBondContact O-N 2.94Å; C82-T86 PolarHBondContact O-OG1 3.43Å |
| 83 | V | 95.4 | Very high | 95 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | E79 Q80 M85 T86 G87 | E79-V83 WeakPolarHBondContact O-CG2 3.37Å; E79-V83 PolarHBondContact O-N 3.49Å; Q80-V83 PolarHBondContact O-N 3.48Å; Q80-V83 VanDerWaalsContact O-N 3.15Å; V83-M85 PolarHBondContact O-N 3.4Å; V83-T86 PolarHBondContact O-N 2.85Å; V83-G87 PolarHBondContact O-N 3.08Å |
| 84 | D | 95 | Very high | 95 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | -179.4 | -66.1 | -28.3 | 0 | 0 | 0 | 111.7 | Q80 G87 Y88 | Q80-D84 VanDerWaalsContact NE2-CG 3.25Å; Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 PolarHBondContact NE2-OD2 2.72Å; Q80-D84 VanDerWaalsContact O-CG 3.27Å; Q80-D84 PolarHBondContact O-N 3.45Å; D84-G87 PolarHBondContact O-N 3.46Å; D84-Y88 WeakPolarHBondContact O-CB 3.14Å; D84-Y88 PolarHBondContact O-N 3.39Å |
| 85 | M | 94.4 | Very high | 95 | Very high | 106 Ų | 106 | 100.3 Ų | 100.3 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.2 | -173.2 | 61.8 | 61.4 | 0 | 0 | 111.8 | N81 V83 Y88 W89 | N81-M85 WeakPolarHBondContact O-CB 3.39Å; N81-M85 PolarHBondContact O-N 2.97Å; V83-M85 PolarHBondContact O-N 3.4Å; M85-Y88 PolarHBondContact O-N 3.34Å; M85-W89 PolarHBondContact O-N 3.5Å; M85-W89 PolarHBondContact SD-NE1 3.09Å |
| 86 | T | 94 | Very high | 94.9 | Very high | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | C82 V83 Y88 W89 Q90 | C82-T86 VanDerWaalsContact O-CB 3.29Å; C82-T86 WeakPolarHBondContact O-CB 3.3Å; C82-T86 PolarHBondContact O-N 2.94Å; C82-T86 PolarHBondContact O-OG1 3.43Å; V83-T86 PolarHBondContact O-N 2.85Å; T86-Y88 PolarHBondContact O-N 2.98Å; T86-W89 PolarHBondContact O-N 3.45Å; T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 PolarHBondContact O-N 3.39Å |
| 87 | G | 94.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 100.8 Ų | 100.8 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V83 D84 K91 | V83-G87 PolarHBondContact O-N 3.08Å; D84-G87 PolarHBondContact O-N 3.46Å; G87-K91 PolarHBondContact O-N 2.84Å; G87-K91 VanDerWaalsContact O-N 3.14Å |
| 88 | Y | 96.1 | Very high | 94.8 | Very high | 135 Ų | 135 | 97.7 Ų | 97.7 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 171.8 | 174.9 | -93.6 | 0 | 0 | 0 | 111.9 | D84 M85 T86 K91 E92 | D84-Y88 WeakPolarHBondContact O-CB 3.14Å; D84-Y88 PolarHBondContact O-N 3.39Å; M85-Y88 PolarHBondContact O-N 3.34Å; T86-Y88 PolarHBondContact O-N 2.98Å; Y88-K91 PolarHBondContact O-N 3.15Å; Y88-E92 PolarHBondContact O-N 3.39Å |
| 89 | W | 95.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 100.2 Ų | 100.2 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | -180 | -74.9 | 118 | 0 | 0 | 0 | 113.3 | M85 T86 K91 E92 V93 | M85-W89 PolarHBondContact O-N 3.5Å; M85-W89 PolarHBondContact SD-NE1 3.09Å; T86-W89 PolarHBondContact O-N 3.45Å; W89-K91 VanDerWaalsContact C-N 3.34Å; W89-K91 PolarHBondContact O-N 3.05Å; W89-E92 HydrophobicContact CE3-CB 4.42Å; W89-E92 HydrophobicContact CE3-CG 4.33Å; W89-E92 HydrophobicContact CZ3-CG 4.33Å; W89-E92 PolarHBondContact O-N 3.04Å; W89-V93 WeakPolarHBondContact O-CG2 3.46Å; W89-V93 PolarHBondContact O-N 2.84Å |
| 90 | Q | 94.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.4 | 179.7 | 178.2 | -21.7 | 0 | 0 | 110.5 | T86 V93 E94 | T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 PolarHBondContact O-N 3.39Å; Q90-V93 WeakPolarHBondContact O-CB 3.4Å; Q90-V93 PolarHBondContact O-N 3.5Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.47Å; Q90-E94 PolarHBondContact NE2-OE1 2.93Å; Q90-E94 WeakPolarHBondContact O-CG 3.33Å; Q90-E94 PolarHBondContact O-N 3.49Å |
| 91 | K | 95.9 | Very high | 94.7 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.3 | -170.9 | -176.2 | 174.1 | -171.4 | 0 | 112.5 | G87 Y88 W89 V93 E94 D95 | G87-K91 PolarHBondContact O-N 2.84Å; G87-K91 VanDerWaalsContact O-N 3.14Å; Y88-K91 PolarHBondContact O-N 3.15Å; W89-K91 VanDerWaalsContact C-N 3.34Å; W89-K91 PolarHBondContact O-N 3.05Å; K91-V93 PolarHBondContact O-N 2.99Å; K91-E94 PolarHBondContact O-N 3.21Å; K91-E94 VanDerWaalsContact O-N 3.13Å; K91-D95 WeakPolarHBondContact CE-OD2 3.47Å; K91-D95 WeakPolarHBondContact O-CB 3.16Å; K91-D95 PolarHBondContact O-N 2.95Å |
| 92 | E | 95.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 101.2 Ų | 101.2 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -27.8 | 176.7 | 179.2 | 67 | -154.7 | 0 | 0 | 112.2 | Y88 W89 R96 | Y88-E92 PolarHBondContact O-N 3.39Å; W89-E92 HydrophobicContact CE3-CB 4.42Å; W89-E92 HydrophobicContact CE3-CG 4.33Å; W89-E92 HydrophobicContact CZ3-CG 4.33Å; W89-E92 PolarHBondContact O-N 3.04Å; E92-R96 WeakPolarHBondContact O-CB 3.37Å; E92-R96 VanDerWaalsContact O-CD 3.23Å; E92-R96 WeakPolarHBondContact O-CD 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.42Å; E92-R96 PolarHBondContact O-N 3Å; E92-R96 IonicContact OE1-CZ 2.61Å; E92-R96 IonicContact OE1-NE 3.93Å; E92-R96 PolarHBondContact OE1-NE 3.04Å; E92-R96 IonicContact OE1-NH2 3.01Å; E92-R96 PolarHBondContact OE1-NH2 3.29Å |
| 93 | V | 94.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.1 | -48.4 | 170.1 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | W89 Q90 K91 D95 R96 E97 | W89-V93 WeakPolarHBondContact O-CG2 3.46Å; W89-V93 PolarHBondContact O-N 2.84Å; Q90-V93 WeakPolarHBondContact O-CB 3.4Å; Q90-V93 PolarHBondContact O-N 3.5Å; K91-V93 PolarHBondContact O-N 2.99Å; V93-D95 PolarHBondContact O-N 2.93Å; V93-R96 WeakPolarHBondContact O-CB 3.41Å; V93-R96 PolarHBondContact O-N 3.22Å; V93-R96 VanDerWaalsContact O-N 3.08Å; V93-E97 HydrophobicContact CG1-CG 4.35Å; V93-E97 PolarHBondContact O-N 3.15Å |
| 94 | E | 95.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 178.9 | -71.2 | 170.2 | -173.7 | 0 | 0 | 112.1 | Q90 K91 R96 E97 E98 | Q90-E94 WeakPolarHBondContact CG-OE1 3.47Å; Q90-E94 PolarHBondContact NE2-OE1 2.93Å; Q90-E94 WeakPolarHBondContact O-CG 3.33Å; Q90-E94 PolarHBondContact O-N 3.49Å; K91-E94 PolarHBondContact O-N 3.21Å; K91-E94 VanDerWaalsContact O-N 3.13Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.38Å; E94-E97 PolarHBondContact O-N 3.05Å; E94-E98 PolarHBondContact O-N 3.4Å; E94-E98 VanDerWaalsContact O-N 3.08Å |
| 95 | D | 95.6 | Very high | 94.3 | Very high | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 176 | -74.8 | -23.7 | 0 | 0 | 0 | 111.8 | K91 V93 K99 | K91-D95 WeakPolarHBondContact CE-OD2 3.47Å; K91-D95 WeakPolarHBondContact O-CB 3.16Å; K91-D95 PolarHBondContact O-N 2.95Å; V93-D95 PolarHBondContact O-N 2.93Å; D95-K99 PolarHBondContact O-N 2.7Å |
| 96 | R | 93.7 | Very high | 94.2 | Very high | 144 Ų | 144 | 102.2 Ų | 102.2 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.6 | -40.6 | 176.3 | -76.3 | 172.1 | -172.7 | -154.8 | 4.8 | 112.7 | E92 V93 E94 E98 K99 I100 | E92-R96 WeakPolarHBondContact O-CB 3.37Å; E92-R96 VanDerWaalsContact O-CD 3.23Å; E92-R96 WeakPolarHBondContact O-CD 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.42Å; E92-R96 PolarHBondContact O-N 3Å; E92-R96 IonicContact OE1-CZ 2.61Å; E92-R96 IonicContact OE1-NE 3.93Å; E92-R96 PolarHBondContact OE1-NE 3.04Å; E92-R96 IonicContact OE1-NH2 3.01Å; E92-R96 PolarHBondContact OE1-NH2 3.29Å; V93-R96 WeakPolarHBondContact O-CB 3.41Å; V93-R96 PolarHBondContact O-N 3.22Å; V93-R96 VanDerWaalsContact O-N 3.08Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.38Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-K99 WeakPolarHBondContact O-CB 3.49Å; R96-K99 PolarHBondContact O-N 3.44Å; R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 2.87Å |
| 97 | E | 93.8 | Very high | 94.1 | Very high | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.9 | -73.2 | -172.8 | -177.2 | 0 | 0 | 111.6 | V93 E94 K99 I100 R101 | V93-E97 HydrophobicContact CG1-CG 4.35Å; V93-E97 PolarHBondContact O-N 3.15Å; E94-E97 PolarHBondContact O-N 3.05Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.3Å; E97-I100 PolarHBondContact O-N 3.19Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.43Å; E97-R101 IonicContact OE2-NH1 3.91Å |
| 98 | E | 95.1 | Very high | 93.9 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.1 | -176.8 | 145.6 | -113.8 | 0 | 0 | 112.2 | E94 R96 I100 R101 M102 | E94-E98 PolarHBondContact O-N 3.4Å; E94-E98 VanDerWaalsContact O-N 3.08Å; R96-E98 VanDerWaalsContact C-N 3.33Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 3.04Å; E98-R101 PolarHBondContact O-N 3.29Å; E98-M102 PolarHBondContact O-N 3.06Å |
| 99 | K | 95.1 | Very high | 93.7 | Very high | 138 Ų | 138 | 106.7 Ų | 106.7 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 174.4 | -167.6 | 174.7 | -176.5 | 176.6 | 0 | 112.6 | D95 R96 E97 L103 | D95-K99 PolarHBondContact O-N 2.7Å; R96-K99 WeakPolarHBondContact O-CB 3.49Å; R96-K99 PolarHBondContact O-N 3.44Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.46Å; K99-L103 PolarHBondContact O-N 3.5Å |
| 100 | I | 92.7 | Very high | 93.4 | Very high | 93 Ų | 93 | 106.6 Ų | 106.6 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 173.2 | -69 | 165 | 0 | 0 | 0 | 110.1 | R96 E97 E98 M102 L103 E104 | R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 2.87Å; E97-I100 PolarHBondContact O-N 3.19Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 3.04Å; I100-M102 VanDerWaalsContact C-N 3.26Å; I100-M102 PolarHBondContact O-N 3Å; I100-L103 PolarHBondContact O-N 3.13Å; I100-E104 HydrophobicContact CG2-CG 4.41Å; I100-E104 PolarHBondContact O-N 3.13Å |
| 101 | R | 94.1 | Very high | 93.1 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 48% | 0.475 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.9 | -45 | 176.3 | -69.7 | -174 | -68.6 | -100.1 | 6.5 | 111.5 | E97 E98 L103 D105 | E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.43Å; E97-R101 IonicContact OE2-NH1 3.91Å; E98-R101 PolarHBondContact O-N 3.29Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 2.75Å; R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 PolarHBondContact O-N 3.45Å |
| 102 | M | 94.3 | Very high | 92.6 | Very high | 116 Ų | 116 | 103 Ų | 103 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.4 | -22 | 176.8 | -81.3 | -149.7 | -71.4 | 0 | 0 | 115.6 | E98 I100 K106 | E98-M102 PolarHBondContact O-N 3.06Å; I100-M102 VanDerWaalsContact C-N 3.26Å; I100-M102 PolarHBondContact O-N 3Å; M102-K106 WeakPolarHBondContact O-CD 3.42Å; M102-K106 WeakPolarHBondContact O-CG 3.22Å |
| 103 | L | 92.4 | Very high | 92.2 | Very high | 103 Ų | 103 | 105 Ų | 105 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -86.5 | -42.5 | 177.4 | -72.9 | 169.7 | 0 | 0 | 0 | 111.6 | K99 I100 R101 D105 K106 L107 | K99-L103 WeakPolarHBondContact O-CG 3.46Å; K99-L103 PolarHBondContact O-N 3.5Å; I100-L103 PolarHBondContact O-N 3.13Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 2.75Å; L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 3.5Å; L103-K106 WeakPolarHBondContact O-CB 3.41Å; L103-K106 PolarHBondContact O-N 2.86Å; L103-K106 VanDerWaalsContact O-N 3.08Å; L103-L107 PolarHBondContact O-N 3.44Å |
| 104 | E | 90.6 | Very high | 91.6 | Very high | 88 Ų | 88 | 104.4 Ų | 104.4 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.4 | -44.7 | 172.9 | -67.6 | -177.4 | -176.5 | 0 | 0 | 111.4 | I100 K106 L107 R108 | I100-E104 HydrophobicContact CG2-CG 4.41Å; I100-E104 PolarHBondContact O-N 3.13Å; E104-K106 PolarHBondContact O-N 3.18Å; E104-L107 PolarHBondContact O-N 3.33Å; E104-R108 WeakPolarHBondContact O-CG 3.24Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 IonicContact OE2-CZ 3.2Å; E104-R108 IonicContact OE2-NH1 3.88Å; E104-R108 IonicContact OE2-NH2 2.66Å; E104-R108 PolarHBondContact OE2-NH2 3.36Å |
| 105 | D | 92.8 | Very high | 90.9 | Very high | 69 Ų | 69 | 105.4 Ų | 105.4 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.5 | -10.9 | -178.4 | -127.2 | 53 | 0 | 0 | 0 | 113.9 | R101 L103 R108 K109 | R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 PolarHBondContact O-N 3.45Å; L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 3.5Å; D105-R108 IonicContact OD1-CZ 3.3Å; D105-R108 IonicContact OD1-NH1 2.84Å; D105-R108 PolarHBondContact OD1-NH1 2.71Å; D105-K109 WeakPolarHBondContact O-CD 3.4Å; D105-K109 VanDerWaalsContact O-CE 3.31Å; D105-K109 WeakPolarHBondContact O-CE 3.43Å; D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.45Å; D105-K109 PolarHBondContact O-NZ 3.33Å; D105-K109 IonicContact OD2-NZ 3.15Å; D105-K109 PolarHBondContact OD2-NZ 3.41Å |
| 106 | K | 92.9 | Very high | 90.3 | Very high | 127 Ų | 127 | 107.4 Ų | 107.4 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -86.6 | -42.2 | 167 | -76.1 | 171.9 | -178.9 | 176.3 | 0 | 111.1 | M102 L103 E104 K109 Q110 | M102-K106 WeakPolarHBondContact O-CD 3.42Å; M102-K106 WeakPolarHBondContact O-CG 3.22Å; L103-K106 WeakPolarHBondContact O-CB 3.41Å; L103-K106 PolarHBondContact O-N 2.86Å; L103-K106 VanDerWaalsContact O-N 3.08Å; E104-K106 PolarHBondContact O-N 3.18Å; K106-K109 PolarHBondContact O-N 3.03Å; K106-Q110 PolarHBondContact O-N 3.19Å |
| 107 | L | 91.4 | Very high | 89.7 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -51.7 | 178.5 | -176.7 | 62.9 | 0 | 0 | 0 | 111.4 | L103 E104 K109 Q110 E111 | L103-L107 PolarHBondContact O-N 3.44Å; E104-L107 PolarHBondContact O-N 3.33Å; L107-K109 PolarHBondContact O-N 3.49Å; L107-Q110 PolarHBondContact O-N 2.97Å; L107-E111 WeakPolarHBondContact O-CG 3.42Å; L107-E111 PolarHBondContact O-N 3.34Å; L107-E111 VanDerWaalsContact O-N 3.09Å |
| 108 | R | 91.6 | Very high | 89 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -51.1 | -35.4 | 176.1 | -68.2 | 172.2 | -173.5 | 133.3 | 11.5 | 113.1 | E104 D105 A112 | E104-R108 WeakPolarHBondContact O-CG 3.24Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 IonicContact OE2-CZ 3.2Å; E104-R108 IonicContact OE2-NH1 3.88Å; E104-R108 IonicContact OE2-NH2 2.66Å; E104-R108 PolarHBondContact OE2-NH2 3.36Å; D105-R108 IonicContact OD1-CZ 3.3Å; D105-R108 IonicContact OD1-NH1 2.84Å; D105-R108 PolarHBondContact OD1-NH1 2.71Å; R108-A112 PolarHBondContact O-N 3.12Å |
| 109 | K | 91.7 | Very high | 87.9 | Confident | 121 Ų | 121 | 110.7 Ų | 110.7 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77 | -30.4 | -179 | -68 | 174 | -173.5 | 118.7 | 0 | 112.4 | D105 K106 L107 I113 | D105-K109 WeakPolarHBondContact O-CD 3.4Å; D105-K109 VanDerWaalsContact O-CE 3.31Å; D105-K109 WeakPolarHBondContact O-CE 3.43Å; D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.45Å; D105-K109 PolarHBondContact O-NZ 3.33Å; D105-K109 IonicContact OD2-NZ 3.15Å; D105-K109 PolarHBondContact OD2-NZ 3.41Å; K106-K109 PolarHBondContact O-N 3.03Å; L107-K109 PolarHBondContact O-N 3.49Å; K109-I113 WeakPolarHBondContact O-CD1 3Å; K109-I113 WeakPolarHBondContact O-CG1 3.47Å |
| 110 | Q | 89.9 | Confident | 87 | Confident | 133 Ų | 133 | 112 Ų | 112 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.3 | -40.8 | 173.8 | -66.6 | -171.9 | -80.7 | 0 | 0 | 112.1 | K106 L107 A112 I113 A114 | K106-Q110 PolarHBondContact O-N 3.19Å; L107-Q110 PolarHBondContact O-N 2.97Å; Q110-A112 VanDerWaalsContact C-N 3.3Å; Q110-A112 PolarHBondContact O-N 2.95Å; Q110-I113 PolarHBondContact O-N 3.32Å; Q110-I113 VanDerWaalsContact O-N 3.08Å; Q110-A114 PolarHBondContact O-N 3.04Å |
| 111 | E | 87.6 | Confident | 85.9 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.3 | -41.6 | 178.4 | -67.3 | 171.3 | 149.2 | 0 | 0 | 112 | L107 I113 A114 L115 | L107-E111 WeakPolarHBondContact O-CG 3.42Å; L107-E111 PolarHBondContact O-N 3.34Å; L107-E111 VanDerWaalsContact O-N 3.09Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.38Å; E111-A114 PolarHBondContact O-N 3.07Å; E111-L115 PolarHBondContact O-N 3.37Å |
| 112 | A | 84.3 | Confident | 84.5 | Confident | 56 Ų | 56 | 113.7 Ų | 113.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.2 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R108 Q110 | R108-A112 PolarHBondContact O-N 3.12Å; Q110-A112 VanDerWaalsContact C-N 3.3Å; Q110-A112 PolarHBondContact O-N 2.95Å |
| 113 | I | 86.8 | Confident | 82.7 | Confident | 98 Ų | 98 | 110.6 Ų | 110.6 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.7 | -47.7 | 179.2 | -66.3 | 166.7 | 0 | 0 | 0 | 110.3 | K109 Q110 E111 L115 L116 E117 | K109-I113 WeakPolarHBondContact O-CD1 3Å; K109-I113 WeakPolarHBondContact O-CG1 3.47Å; Q110-I113 PolarHBondContact O-N 3.32Å; Q110-I113 VanDerWaalsContact O-N 3.08Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.38Å; I113-L115 PolarHBondContact O-N 3.02Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.16Å; I113-E117 PolarHBondContact O-N 2.62Å |
| 114 | A | 81.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 111.2 Ų | 111.2 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.4 | -33.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q110 E111 E117 R118 | Q110-A114 PolarHBondContact O-N 3.04Å; E111-A114 PolarHBondContact O-N 3.07Å; A114-E117 PolarHBondContact O-N 3.48Å; A114-R118 PolarHBondContact O-N 3.48Å |
| 115 | L | 80.8 | Confident | 79.2 | Confident | 112 Ų | 112 | 117.1 Ų | 117.1 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -33.3 | 175.6 | -75.3 | 168.4 | 0 | 0 | 0 | 113.3 | E111 I113 N119 | E111-L115 PolarHBondContact O-N 3.37Å; I113-L115 PolarHBondContact O-N 3.02Å; L115-N119 PolarHBondContact O-ND2 3.13Å |
| 116 | L | 82.8 | Confident | 76.9 | Confident | 126 Ų | 126 | 120.3 Ų | 120.3 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.6 | -34 | 178.9 | -70.1 | 169.2 | 0 | 0 | 0 | 112.4 | I113 | I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.16Å |
| 117 | E | 80.7 | Confident | 74.5 | Confident | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.9 | -45.1 | 179.3 | -63.7 | -174 | 144 | 0 | 0 | 111.8 | I113 A114 N119 K120 | I113-E117 PolarHBondContact O-N 2.62Å; A114-E117 PolarHBondContact O-N 3.48Å; E117-N119 PolarHBondContact O-N 3.22Å; E117-K120 PolarHBondContact O-N 3.13Å |
| 118 | R | 79.3 | Confident | 72 | Confident | 179 Ų | 179 | 121.6 Ų | 121.6 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.3 | -41.3 | 177.8 | -174.1 | -177.7 | 179.9 | 98.8 | 1.5 | 112.4 | A114 K120 Q121 | A114-R118 PolarHBondContact O-N 3.48Å; R118-K120 VanDerWaalsContact C-N 3.29Å; R118-K120 PolarHBondContact O-N 3.45Å; R118-Q121 PolarHBondContact O-N 3.02Å |
| 119 | N | 73 | Confident | 69.1 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.1 | -21.6 | -177.7 | -71.8 | -13.2 | 0 | 0 | 0 | 113.7 | L115 E117 | L115-N119 PolarHBondContact O-ND2 3.13Å; E117-N119 PolarHBondContact O-N 3.22Å |
| 120 | K | 76.4 | Confident | 66.2 | Low | 167 Ų | 167 | 124.3 Ų | 124.3 | 73% | 0.726 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.1 | -37 | 175.7 | -74.6 | -177.8 | 174.9 | 177.8 | 0 | 112.9 | E117 R118 V122 | E117-K120 PolarHBondContact O-N 3.13Å; R118-K120 VanDerWaalsContact C-N 3.29Å; R118-K120 PolarHBondContact O-N 3.45Å; K120-V122 PolarHBondContact O-N 2.92Å |
| 121 | Q | 68.6 | Low | 64.6 | Low | 153 Ų | 153 | 122.8 Ų | 122.8 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.5 | -30.6 | -171.8 | -71.5 | 171.7 | -23.1 | 0 | 0 | 113 | R118 G123 | R118-Q121 PolarHBondContact O-N 3.02Å; Q121-G123 VanDerWaalsContact C-N 3.31Å; Q121-G123 PolarHBondContact O-N 2.92Å |
| 122 | V | 65.9 | Low | 62.2 | Low | 101 Ų | 101 | 124.6 Ų | 124.6 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.5 | -33 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | K120 V124 | K120-V122 PolarHBondContact O-N 2.92Å; V122-V124 VanDerWaalsContact C-N 3.28Å; V122-V124 PolarHBondContact O-N 3.36Å |
| 123 | G | 55.6 | Low | 59.9 | Low | 51 Ų | 51 | 129.5 Ų | 129.5 | 53% | 0.526 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | -15.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q121 | Q121-G123 VanDerWaalsContact C-N 3.31Å; Q121-G123 PolarHBondContact O-N 2.92Å |
| 124 | V | 59.8 | Low | 57.7 | Low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -18.3 | -173.6 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | V122 I126 | V122-V124 VanDerWaalsContact C-N 3.28Å; V122-V124 PolarHBondContact O-N 3.36Å; V124-I126 PolarHBondContact O-N 2.91Å |
| 125 | Y | 50.3 | Low | 55.8 | Low | 212 Ų | 212 | 136.9 Ų | 136.9 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -89.3 | 1.9 | -166.3 | -156.7 | -100.6 | 0 | 0 | 0 | 114.9 | ||
| 126 | I | 44.6 | Very low | 54 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -98.6 | -23.3 | -167.5 | -64.2 | 177.9 | 0 | 0 | 0 | 113.1 | V124 S128 | V124-I126 PolarHBondContact O-N 2.91Å; I126-S128 PolarHBondContact O-N 3.28Å |
| 127 | D | 41.4 | Very low | 52.7 | Low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.1 | 3.2 | -162.4 | -71.5 | -15.2 | 0 | 0 | 0 | 116.5 | ||
| 128 | S | 40 | Very low | 51.3 | Low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -139.7 | 92.9 | -166.8 | 65.1 | 0 | 0 | 0 | 0 | 116.9 | I126 | I126-S128 PolarHBondContact O-N 3.28Š| ||
| 129 | S | 31.3 | Very low | 50.1 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -166.5 | 131.2 | 154.1 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 130 | H | 29 | Very low | 49.3 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 91% | 0.912 | 71% | 0.713 | S | S | * | * | trans | -171.1 | 149.1 | 158.3 | -113.5 | -71.6 | 0 | 0 | 0 | 111 | ||||
| 131 | P | 57.4 | Low | 48.4 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | trans | -135.4 | -170.1 | -170.6 | 35 | -12.6 | 0 | 0 | 0 | 117.2 | ||||
| 132 | L | 36.9 | Very low | 48 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 84.4 | 155.8 | 166.8 | -45.8 | 175.1 | 0 | 0 | 0 | 116.4 | ||||
| 133 | E | 36.4 | Very low | 47.9 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | cis | -144.6 | -132.6 | 1.2 | -146.2 | 147.9 | -122.7 | 0 | 0 | 115.2 | ||||
| 134 | T | 40.4 | Very low | 48.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | trans | -154.4 | 165 | -157 | 58.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 135 | E | 41.7 | Very low | 49.3 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | trans | -156.3 | -179.6 | 157.5 | -109.3 | 175.5 | 174.3 | 0 | 0 | 108.3 | ||||
| 136 | D | 42.9 | Very low | 50.5 | Low | 104 Ų | 104 | 126.6 Ų | 126.6 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | cis | -108.7 | -159.2 | -11.6 | 168.4 | 54.7 | 0 | 0 | 0 | 109.6 | S138 K140 | D136-S138 PolarHBondContact OD2-N 3.33Å; D136-K140 WeakPolarHBondContact O-CE 3.39Å; D136-K140 PolarHBondContact O-NZ 2.75Å | ||
| 137 | V | 54.4 | Low | 52 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | trans | -135.5 | -10.2 | -176.8 | -176.5 | 0 | 0 | 0 | 0 | 116.6 | K140 | V137-K140 WeakPolarHBondContact O-CB 3.47Š| ||
| 138 | S | 51.3 | Low | 53.8 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -83.2 | -46.4 | -167.8 | -160 | 0 | 0 | 0 | 0 | 116.7 | D136 K140 A141 | D136-S138 PolarHBondContact OD2-N 3.33Å; S138-K140 PolarHBondContact O-N 2.86Å; S138-A141 PolarHBondContact O-N 3.44Å |
| 139 | E | 53.8 | Low | 55.7 | Low | 165 Ų | 165 | 120.6 Ų | 120.6 | 77% | 0.771 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -32.1 | 174.3 | -74.6 | -178 | 130.2 | 0 | 0 | 111.4 | A141 Q142 D143 | E139-A141 PolarHBondContact O-N 3.01Å; E139-Q142 PolarHBondContact O-N 3.07Å; E139-Q142 VanDerWaalsContact O-N 3.08Å; E139-D143 PolarHBondContact O-N 2.89Å |
| 140 | K | 56.5 | Low | 58.1 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 47% | 0.474 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -51.3 | -17.1 | 178.7 | -62.9 | -169.5 | 177.5 | 159.7 | 0 | 114.3 | D136 V137 S138 F144 | D136-K140 WeakPolarHBondContact O-CE 3.39Å; D136-K140 PolarHBondContact O-NZ 2.75Å; V137-K140 WeakPolarHBondContact O-CB 3.47Å; S138-K140 PolarHBondContact O-N 2.86Å; K140-F144 WeakPolarHBondContact O-CA 3.34Å; K140-F144 WeakPolarHBondContact O-CB 3.29Å; K140-F144 PolarHBondContact O-N 2.7Å |
| 141 | A | 57.8 | Low | 60.6 | Low | 73 Ų | 73 | 116.3 Ų | 116.3 | 60% | 0.603 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.6 | -34 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S138 E139 F144 | S138-A141 PolarHBondContact O-N 3.44Å; E139-A141 PolarHBondContact O-N 3.01Å; A141-F144 WeakPolarHBondContact O-CB 3.35Å |
| 142 | Q | 61.2 | Low | 61.9 | Low | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83 | -39.2 | 169.3 | -83.1 | -168 | -16.5 | 0 | 0 | 110.4 | E139 F144 K145 A146 | E139-Q142 PolarHBondContact O-N 3.07Å; E139-Q142 VanDerWaalsContact O-N 3.08Å; Q142-F144 PolarHBondContact O-N 3.29Å; Q142-K145 PolarHBondContact O-N 2.93Å; Q142-A146 PolarHBondContact O-N 3.16Å |
| 143 | D | 63.9 | Low | 64.2 | Low | 80 Ų | 80 | 115.9 Ų | 115.9 | 43% | 0.428 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.1 | -37.4 | 168.7 | -59 | -31.8 | 0 | 0 | 0 | 110.5 | E139 K145 A146 L147 | E139-D143 PolarHBondContact O-N 2.89Å; D143-K145 PolarHBondContact O-N 3.27Å; D143-A146 PolarHBondContact O-N 2.9Å; D143-A146 VanDerWaalsContact O-N 3.14Å; D143-L147 HydrophobicContact CB-CD1 4.18Å; D143-L147 WeakPolarHBondContact O-CB 3.45Å; D143-L147 WeakPolarHBondContact O-CG 3.41Å; D143-L147 PolarHBondContact O-N 3.34Å |
| 144 | F | 70.5 | Confident | 66.5 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 61% | 0.614 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.8 | -35.2 | 176.4 | -150.4 | -100.4 | 0 | 0 | 0 | 112.7 | K140 A141 Q142 Q148 | K140-F144 WeakPolarHBondContact O-CA 3.34Å; K140-F144 WeakPolarHBondContact O-CB 3.29Å; K140-F144 PolarHBondContact O-N 2.7Å; A141-F144 WeakPolarHBondContact O-CB 3.35Å; Q142-F144 PolarHBondContact O-N 3.29Å; F144-Q148 WeakPolarHBondContact O-CB 3.48Å; F144-Q148 PolarHBondContact O-N 3.46Å |
| 145 | K | 74.5 | Confident | 68.5 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -86.4 | -34.9 | -176.5 | -161.1 | 174.3 | -176.9 | -178.5 | 0 | 112.3 | Q142 D143 Q148 D149 | Q142-K145 PolarHBondContact O-N 2.93Å; D143-K145 PolarHBondContact O-N 3.27Å; K145-Q148 PolarHBondContact O-N 3.12Å; K145-D149 PolarHBondContact O-N 3.48Å; K145-D149 VanDerWaalsContact O-N 3.11Å |
| 146 | A | 74.8 | Confident | 70.7 | Confident | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -50.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q142 D143 Q148 D149 E150 | Q142-A146 PolarHBondContact O-N 3.16Å; D143-A146 PolarHBondContact O-N 2.9Å; D143-A146 VanDerWaalsContact O-N 3.14Å; A146-Q148 PolarHBondContact O-N 3.12Å; A146-D149 PolarHBondContact O-N 3.48Å; A146-D149 VanDerWaalsContact O-N 3.17Å; A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 WeakPolarHBondContact O-CG 3.27Å; A146-E150 PolarHBondContact O-N 2.97Å |
| 147 | L | 76.8 | Confident | 72.8 | Confident | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.1 | -28.7 | 170.8 | -70.6 | 166.5 | 0 | 0 | 0 | 112.9 | D143 M151 | D143-L147 HydrophobicContact CB-CD1 4.18Å; D143-L147 WeakPolarHBondContact O-CB 3.45Å; D143-L147 WeakPolarHBondContact O-CG 3.41Å; D143-L147 PolarHBondContact O-N 3.34Å; L147-M151 WeakPolarHBondContact O-CA 3.38Å; L147-M151 WeakPolarHBondContact O-CB 3.5Å; L147-M151 WeakPolarHBondContact O-CG 3.4Å; L147-M151 PolarHBondContact O-N 3.3Å |
| 148 | Q | 78.6 | Confident | 74.3 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.7 | -36.4 | 176 | -176.1 | 172.5 | 45 | 0 | 0 | 112.8 | F144 K145 A146 R152 | F144-Q148 WeakPolarHBondContact O-CB 3.48Å; F144-Q148 PolarHBondContact O-N 3.46Å; K145-Q148 PolarHBondContact O-N 3.12Å; A146-Q148 PolarHBondContact O-N 3.12Å; Q148-R152 PolarHBondContact O-N 3.22Å; Q148-R152 VanDerWaalsContact O-N 3.11Å |
| 149 | D | 79.6 | Confident | 76 | Confident | 68 Ų | 68 | 106.9 Ų | 106.9 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80.4 | -26.3 | 173.5 | -76.8 | -35.1 | 0 | 0 | 0 | 112.2 | K145 A146 R152 K153 | K145-D149 PolarHBondContact O-N 3.48Å; K145-D149 VanDerWaalsContact O-N 3.11Å; A146-D149 PolarHBondContact O-N 3.48Å; A146-D149 VanDerWaalsContact O-N 3.17Å; D149-R152 IonicContact OD1-CZ 2.62Å; D149-R152 IonicContact OD1-NH1 2.8Å; D149-R152 PolarHBondContact OD1-NH1 2.88Å; D149-R152 IonicContact OD1-NH2 2.75Å; D149-R152 PolarHBondContact OD1-NH2 2.98Å; D149-K153 WeakPolarHBondContact O-CG 3.26Å; D149-K153 PolarHBondContact O-N 2.95Å |
| 150 | E | 82.3 | Confident | 77.7 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.8 | -36 | 167.9 | -71 | -168 | 159.1 | 0 | 0 | 112.3 | A146 R152 K153 M154 | A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 WeakPolarHBondContact O-CG 3.27Å; A146-E150 PolarHBondContact O-N 2.97Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 3.42Å; E150-K153 CarbonylContact O-C 3.58Å; E150-K153 PolarHBondContact O-N 3.05Å; E150-M154 WeakPolarHBondContact O-CB 3.4Å; E150-M154 VanDerWaalsContact O-CG 3.28Å; E150-M154 WeakPolarHBondContact O-CG 3.43Å; E150-M154 PolarHBondContact O-N 3.19Å |
| 151 | M | 81.8 | Confident | 79.4 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 167.3 | -90.8 | 178.7 | 61.5 | 0 | 0 | 109.9 | L147 K153 M154 E155 | L147-M151 WeakPolarHBondContact O-CA 3.38Å; L147-M151 WeakPolarHBondContact O-CB 3.5Å; L147-M151 WeakPolarHBondContact O-CG 3.4Å; L147-M151 PolarHBondContact O-N 3.3Å; M151-K153 VanDerWaalsContact C-N 3.27Å; M151-K153 PolarHBondContact O-N 2.96Å; M151-M154 CarbonylContact O-C 3.59Å; M151-M154 WeakPolarHBondContact O-CA 3.32Å; M151-M154 WeakPolarHBondContact O-CB 3.49Å; M151-M154 PolarHBondContact O-N 3.44Å; M151-E155 WeakPolarHBondContact CE-OE1 3.41Å; M151-E155 WeakPolarHBondContact O-CB 3.38Å; M151-E155 VanDerWaalsContact O-CG 3.24Å; M151-E155 WeakPolarHBondContact O-CG 3.49Å; M151-E155 PolarHBondContact O-N 2.89Å |
| 152 | R | 84.3 | Confident | 80.9 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 42% | 0.415 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 178.9 | -162 | -177.4 | -50.5 | 109.7 | 24.7 | 112.6 | Q148 D149 E150 E156 | Q148-R152 PolarHBondContact O-N 3.22Å; Q148-R152 VanDerWaalsContact O-N 3.11Å; D149-R152 IonicContact OD1-CZ 2.62Å; D149-R152 IonicContact OD1-NH1 2.8Å; D149-R152 PolarHBondContact OD1-NH1 2.88Å; D149-R152 IonicContact OD1-NH2 2.75Å; D149-R152 PolarHBondContact OD1-NH2 2.98Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 3.42Å; R152-E156 WeakPolarHBondContact O-CB 3.42Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.96Å |
| 153 | K | 84.4 | Confident | 82.4 | Confident | 125 Ų | 125 | 104.8 Ų | 104.8 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.5 | -33.8 | 173.8 | -68.9 | 170.7 | -173.8 | 167.9 | 0 | 112.7 | D149 E150 M151 N157 | D149-K153 WeakPolarHBondContact O-CG 3.26Å; D149-K153 PolarHBondContact O-N 2.95Å; E150-K153 CarbonylContact O-C 3.58Å; E150-K153 PolarHBondContact O-N 3.05Å; M151-K153 VanDerWaalsContact C-N 3.27Å; M151-K153 PolarHBondContact O-N 2.96Å; K153-N157 VanDerWaalsContact O-CB 3.28Å; K153-N157 WeakPolarHBondContact O-CB 3.49Å; K153-N157 PolarHBondContact O-N 2.82Å; K153-N157 PolarHBondContact O-ND2 3.38Å |
| 154 | M | 85 | Confident | 83.8 | Confident | 130 Ų | 130 | 106.5 Ų | 106.5 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -47.8 | 171.5 | -73.3 | -107.1 | -67 | 0 | 0 | 110 | E150 M151 E156 N157 E158 | E150-M154 WeakPolarHBondContact O-CB 3.4Å; E150-M154 VanDerWaalsContact O-CG 3.28Å; E150-M154 WeakPolarHBondContact O-CG 3.43Å; E150-M154 PolarHBondContact O-N 3.19Å; M151-M154 CarbonylContact O-C 3.59Å; M151-M154 WeakPolarHBondContact O-CA 3.32Å; M151-M154 WeakPolarHBondContact O-CB 3.49Å; M151-M154 PolarHBondContact O-N 3.44Å; M154-E156 PolarHBondContact O-N 3.3Å; M154-N157 CarbonylContact O-C 3.57Å; M154-N157 PolarHBondContact O-N 3.31Å; M154-E158 WeakPolarHBondContact O-CA 3.35Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.9Å |
| 155 | E | 83.5 | Confident | 84.8 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 174.5 | -69.1 | 162.2 | -177.6 | 0 | 0 | 111.3 | M151 A159 | M151-E155 WeakPolarHBondContact CE-OE1 3.41Å; M151-E155 WeakPolarHBondContact O-CB 3.38Å; M151-E155 VanDerWaalsContact O-CG 3.24Å; M151-E155 WeakPolarHBondContact O-CG 3.49Å; M151-E155 PolarHBondContact O-N 2.89Å; E155-A159 VanDerWaalsContact O-CB 3.24Å; E155-A159 WeakPolarHBondContact O-CB 3.01Å; E155-A159 PolarHBondContact O-N 2.9Å |
| 156 | E | 86.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 175 | -76.5 | 167 | -169.5 | 0 | 0 | 112.8 | R152 M154 Q160 | R152-E156 WeakPolarHBondContact O-CB 3.42Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.96Å; M154-E156 PolarHBondContact O-N 3.3Å; E156-Q160 WeakPolarHBondContact O-CG 3.46Å; E156-Q160 PolarHBondContact O-N 3.11Å; E156-Q160 PolarHBondContact O-NE2 3.42Å |
| 157 | N | 86.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 98.2 Ų | 98.2 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.8 | -34 | 176.7 | -71.6 | -30.2 | 0 | 0 | 0 | 112.4 | K153 M154 Q160 L161 | K153-N157 VanDerWaalsContact O-CB 3.28Å; K153-N157 WeakPolarHBondContact O-CB 3.49Å; K153-N157 PolarHBondContact O-N 2.82Å; K153-N157 PolarHBondContact O-ND2 3.38Å; M154-N157 CarbonylContact O-C 3.57Å; M154-N157 PolarHBondContact O-N 3.31Å; N157-Q160 PolarHBondContact O-N 3.32Å; N157-L161 WeakPolarHBondContact O-CB 3.3Å; N157-L161 VanDerWaalsContact O-CG 3.29Å; N157-L161 WeakPolarHBondContact O-CG 3.41Å; N157-L161 PolarHBondContact O-N 3.2Å |
| 158 | E | 86.1 | Confident | 87.5 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.3 | -45.5 | 176 | -177.7 | 167.2 | -149.7 | 0 | 0 | 109.1 | M154 Q160 L161 E162 | M154-E158 WeakPolarHBondContact O-CA 3.35Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.9Å; E158-Q160 VanDerWaalsContact C-N 3.34Å; E158-Q160 PolarHBondContact O-N 3.45Å; E158-L161 CarbonylContact O-C 3.59Å; E158-L161 PolarHBondContact O-N 2.92Å; E158-E162 WeakPolarHBondContact O-CB 3.22Å; E158-E162 WeakPolarHBondContact O-CG 3.37Å; E158-E162 PolarHBondContact O-N 3.43Å |
| 159 | A | 88.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E155 E162 E163 | E155-A159 VanDerWaalsContact O-CB 3.24Å; E155-A159 WeakPolarHBondContact O-CB 3.01Å; E155-A159 PolarHBondContact O-N 2.9Å; A159-E162 PolarHBondContact O-N 2.77Å; A159-E163 WeakPolarHBondContact O-CB 3.26Å; A159-E163 PolarHBondContact O-N 3.41Å |
| 160 | Q | 89.8 | Confident | 89 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 174 | -78.4 | 167.1 | 70.2 | 0 | 0 | 112 | E156 N157 E158 E163 E164 | E156-Q160 WeakPolarHBondContact O-CG 3.46Å; E156-Q160 PolarHBondContact O-N 3.11Å; E156-Q160 PolarHBondContact O-NE2 3.42Å; N157-Q160 PolarHBondContact O-N 3.32Å; E158-Q160 VanDerWaalsContact C-N 3.34Å; E158-Q160 PolarHBondContact O-N 3.45Å; Q160-E163 PolarHBondContact O-N 3.39Å; Q160-E164 WeakPolarHBondContact O-CG 3.22Å; Q160-E164 PolarHBondContact O-N 3.24Å |
| 161 | L | 90.5 | Very high | 89.6 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 177.1 | -72.7 | 169.5 | 0 | 0 | 0 | 112.1 | N157 E158 L165 | N157-L161 WeakPolarHBondContact O-CB 3.3Å; N157-L161 VanDerWaalsContact O-CG 3.29Å; N157-L161 WeakPolarHBondContact O-CG 3.41Å; N157-L161 PolarHBondContact O-N 3.2Å; E158-L161 CarbonylContact O-C 3.59Å; E158-L161 PolarHBondContact O-N 2.92Å; L161-L165 WeakPolarHBondContact O-CB 3.39Å; L161-L165 WeakPolarHBondContact O-CD1 3.35Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.39Å |
| 162 | E | 89.4 | Confident | 90.2 | Very high | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 172.3 | -77.1 | -154 | 130.9 | 0 | 0 | 111.8 | E158 A159 G166 | E158-E162 WeakPolarHBondContact O-CB 3.22Å; E158-E162 WeakPolarHBondContact O-CG 3.37Å; E158-E162 PolarHBondContact O-N 3.43Å; A159-E162 PolarHBondContact O-N 2.77Å; E162-G166 WeakPolarHBondContact O-CA 3.24Å; E162-G166 PolarHBondContact O-N 3.47Å |
| 163 | E | 93.1 | Very high | 90.7 | Very high | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -51.3 | 172.6 | -176.4 | 164.3 | -144.7 | 0 | 0 | 110.6 | A159 Q160 L165 G166 D167 | A159-E163 WeakPolarHBondContact O-CB 3.26Å; A159-E163 PolarHBondContact O-N 3.41Å; Q160-E163 PolarHBondContact O-N 3.39Å; E163-L165 PolarHBondContact O-N 2.94Å; E163-G166 CarbonylContact O-C 3.58Å; E163-G166 WeakPolarHBondContact O-CA 3.45Å; E163-G166 PolarHBondContact O-N 3.18Å; E163-G166 VanDerWaalsContact O-N 3.09Å; E163-D167 WeakPolarHBondContact O-CB 3.42Å; E163-D167 PolarHBondContact O-N 3.4Å |
| 164 | E | 92.9 | Very high | 91.2 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.3 | -76.9 | -164.9 | 168.6 | 0 | 0 | 112.8 | Q160 D167 M168 | Q160-E164 WeakPolarHBondContact O-CG 3.22Å; Q160-E164 PolarHBondContact O-N 3.24Å; E164-D167 PolarHBondContact O-N 2.92Å; E164-M168 HydrophobicContact CB-CE 4.27Å; E164-M168 WeakPolarHBondContact O-CB 3.43Å; E164-M168 WeakPolarHBondContact O-CG 3.07Å; E164-M168 PolarHBondContact O-N 2.95Å |
| 165 | L | 92.1 | Very high | 91.7 | Very high | 85 Ų | 85 | 98 Ų | 98 | 45% | 0.445 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 174 | -72.8 | 166.9 | 0 | 0 | 0 | 111.3 | L161 E163 D167 M168 R169 | L161-L165 WeakPolarHBondContact O-CB 3.39Å; L161-L165 WeakPolarHBondContact O-CD1 3.35Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.39Å; E163-L165 PolarHBondContact O-N 2.94Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-M168 HydrophobicContact CD2-CE 4.03Å; L165-M168 HydrophobicContact CG-CE 4.44Å; L165-R169 VanDerWaalsContact CB-NH2 3.33Å; L165-R169 WeakPolarHBondContact O-CB 3.3Å; L165-R169 VanDerWaalsContact O-CG 3.26Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 2.91Å; L165-R169 PolarHBondContact O-NE 3.17Å |
| 166 | G | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 98 Ų | 98 | 18% | 0.175 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E162 E163 R169 K170 | E162-G166 WeakPolarHBondContact O-CA 3.24Å; E162-G166 PolarHBondContact O-N 3.47Å; E163-G166 CarbonylContact O-C 3.58Å; E163-G166 WeakPolarHBondContact O-CA 3.45Å; E163-G166 PolarHBondContact O-N 3.18Å; E163-G166 VanDerWaalsContact O-N 3.09Å; G166-R169 PolarHBondContact O-N 3.08Å; G166-K170 VanDerWaalsContact O-CG 3.28Å; G166-K170 WeakPolarHBondContact O-CG 3.41Å; G166-K170 PolarHBondContact O-N 3.06Å |
| 167 | D | 94.4 | Very high | 92.7 | Very high | 57 Ų | 57 | 98.9 Ų | 98.9 | 31% | 0.305 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.5 | -35.5 | 180 | -115.3 | 44.5 | 0 | 0 | 0 | 113.1 | E163 E164 L165 K170 R171 | E163-D167 WeakPolarHBondContact O-CB 3.42Å; E163-D167 PolarHBondContact O-N 3.4Å; E164-D167 PolarHBondContact O-N 2.92Å; L165-D167 VanDerWaalsContact C-N 3.32Å; D167-K170 PolarHBondContact O-N 3.4Å; D167-K170 WeakPolarHBondContact OD1-CD 3.45Å; D167-K170 WeakPolarHBondContact OD1-CE 3.3Å; D167-K170 IonicContact OD1-NZ 3.87Å; D167-K170 PolarHBondContact OD1-NZ 3.41Å; D167-R171 WeakPolarHBondContact O-CB 3.27Å; D167-R171 WeakPolarHBondContact O-CG 3.32Å; D167-R171 PolarHBondContact O-N 2.75Å; D167-R171 IonicContact OD2-NH1 2.63Å; D167-R171 PolarHBondContact OD2-NH1 2.84Å |
| 168 | M | 93.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 99.2 Ų | 99.2 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 168.1 | -78.9 | -171.6 | -88.2 | 0 | 0 | 111.4 | E164 L165 R171 M172 | E164-M168 HydrophobicContact CB-CE 4.27Å; E164-M168 WeakPolarHBondContact O-CB 3.43Å; E164-M168 WeakPolarHBondContact O-CG 3.07Å; E164-M168 PolarHBondContact O-N 2.95Å; L165-M168 HydrophobicContact CD2-CE 4.03Å; L165-M168 HydrophobicContact CG-CE 4.44Å; M168-R171 PolarHBondContact O-N 3Å; M168-M172 WeakPolarHBondContact O-CB 3.5Å; M168-M172 PolarHBondContact O-N 3.35Å |
| 169 | R | 94.8 | Very high | 93.6 | Very high | 129 Ų | 129 | 99.3 Ų | 99.3 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 172.8 | -76 | 172.3 | -72.6 | -137.6 | 5.9 | 111.5 | L165 G166 R171 M172 D173 | L165-R169 VanDerWaalsContact CB-NH2 3.33Å; L165-R169 WeakPolarHBondContact O-CB 3.3Å; L165-R169 VanDerWaalsContact O-CG 3.26Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 2.91Å; L165-R169 PolarHBondContact O-NE 3.17Å; G166-R169 PolarHBondContact O-N 3.08Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-R171 PolarHBondContact O-N 3.37Å; R169-M172 PolarHBondContact O-N 3.13Å; R169-D173 WeakPolarHBondContact O-CB 3.5Å; R169-D173 PolarHBondContact O-N 3.04Å |
| 170 | K | 95.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -55.5 | -43.9 | 174.3 | -68.7 | 166.9 | -145.2 | 161.7 | 0 | 112.2 | G166 D167 F174 | G166-K170 VanDerWaalsContact O-CG 3.28Å; G166-K170 WeakPolarHBondContact O-CG 3.41Å; G166-K170 PolarHBondContact O-N 3.06Å; D167-K170 PolarHBondContact O-N 3.4Å; D167-K170 WeakPolarHBondContact OD1-CD 3.45Å; D167-K170 WeakPolarHBondContact OD1-CE 3.3Å; D167-K170 IonicContact OD1-NZ 3.87Å; D167-K170 PolarHBondContact OD1-NZ 3.41Å; K170-F174 VanDerWaalsContact O-CB 3.31Å; K170-F174 WeakPolarHBondContact O-CB 3.41Å; K170-F174 PolarHBondContact O-N 3.26Å |
| 171 | R | 95.1 | Very high | 94.3 | Very high | 129 Ų | 129 | 100.2 Ų | 100.2 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 177.5 | -76.4 | -174.2 | -71.1 | -87.9 | 5.6 | 112.3 | D167 M168 R169 F174 T175 | D167-R171 WeakPolarHBondContact O-CB 3.27Å; D167-R171 WeakPolarHBondContact O-CG 3.32Å; D167-R171 PolarHBondContact O-N 2.75Å; D167-R171 IonicContact OD2-NH1 2.63Å; D167-R171 PolarHBondContact OD2-NH1 2.84Å; M168-R171 PolarHBondContact O-N 3Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-R171 PolarHBondContact O-N 3.37Å; R171-F174 PolarHBondContact O-N 2.99Å; R171-T175 PolarHBondContact O-N 2.91Å; R171-T175 PolarHBondContact O-OG1 2.85Å |
| 172 | M | 93.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 53% | 0.527 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 177.2 | -175.9 | -177.8 | 71.8 | 0 | 0 | 111.9 | M168 R169 F174 T175 Q176 | M168-M172 WeakPolarHBondContact O-CB 3.5Å; M168-M172 PolarHBondContact O-N 3.35Å; R169-M172 PolarHBondContact O-N 3.13Å; M172-F174 PolarHBondContact O-N 2.87Å; M172-T175 PolarHBondContact O-N 3.33Å; M172-T175 PolarHBondContact O-OG1 3.06Å; M172-Q176 VanDerWaalsContact O-CB 3.26Å; M172-Q176 WeakPolarHBondContact O-CB 3.37Å; M172-Q176 PolarHBondContact O-N 3.33Å |
| 173 | D | 95.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 98.2 Ų | 98.2 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.1 | -35.2 | 174.5 | -78.9 | 7.9 | 0 | 0 | 0 | 112.1 | R169 K177 | R169-D173 WeakPolarHBondContact O-CB 3.5Å; R169-D173 PolarHBondContact O-N 3.04Å; D173-K177 WeakPolarHBondContact O-CB 3.38Å; D173-K177 VanDerWaalsContact O-CD 3.22Å; D173-K177 WeakPolarHBondContact O-CD 3.32Å; D173-K177 WeakPolarHBondContact O-CG 3.34Å; D173-K177 PolarHBondContact O-N 3.3Å |
| 174 | F | 95.9 | Very high | 95 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71 | -52.8 | 177.6 | -179.2 | -94 | 0 | 0 | 0 | 111.3 | K170 R171 M172 Q176 K177 E178 | K170-F174 VanDerWaalsContact O-CB 3.31Å; K170-F174 WeakPolarHBondContact O-CB 3.41Å; K170-F174 PolarHBondContact O-N 3.26Å; R171-F174 PolarHBondContact O-N 2.99Å; M172-F174 PolarHBondContact O-N 2.87Å; F174-Q176 VanDerWaalsContact C-N 3.31Å; F174-Q176 PolarHBondContact O-N 3.35Å; F174-K177 PolarHBondContact O-N 3.16Å; F174-K177 VanDerWaalsContact O-N 3.1Å; F174-E178 HydrophobicContact CD1-CG 4.38Å; F174-E178 HydrophobicContact CE1-CG 3.97Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.41Å; F174-E178 VanDerWaalsContact CE1-OE2 3.26Å; F174-E178 WeakPolarHBondContact CE1-OE2 3.48Å; F174-E178 HydrophobicContact CZ-CG 4.16Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.26Å; F174-E178 PolarHBondContact O-N 2.98Å |
| 175 | T | 94.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | R171 M172 E178 H179 | R171-T175 PolarHBondContact O-N 2.91Å; R171-T175 PolarHBondContact O-OG1 2.85Å; M172-T175 PolarHBondContact O-N 3.33Å; M172-T175 PolarHBondContact O-OG1 3.06Å; T175-E178 PolarHBondContact O-N 2.82Å; T175-H179 WeakPolarHBondContact O-CB 3.48Å; T175-H179 PolarHBondContact O-CD2 3.47Å; T175-H179 VanDerWaalsContact O-CG 3.25Å; T175-H179 PolarHBondContact O-N 2.96Å |
| 176 | Q | 95.2 | Very high | 95.3 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 171 | -179.6 | 176.3 | -26.5 | 0 | 0 | 111.3 | M172 F174 E178 H179 E180 | M172-Q176 VanDerWaalsContact O-CB 3.26Å; M172-Q176 WeakPolarHBondContact O-CB 3.37Å; M172-Q176 PolarHBondContact O-N 3.33Å; F174-Q176 VanDerWaalsContact C-N 3.31Å; F174-Q176 PolarHBondContact O-N 3.35Å; Q176-E178 PolarHBondContact O-N 3.34Å; Q176-H179 PolarHBondContact O-N 2.84Å; Q176-E180 HydrophobicContact CG-CG 4.4Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.28Å; Q176-E180 PolarHBondContact NE2-OE1 2.8Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 3.27Å |
| 177 | K | 96.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.7 | -74 | 162.2 | -168 | 150.9 | 0 | 112.2 | D173 F174 E180 E181 | D173-K177 WeakPolarHBondContact O-CB 3.38Å; D173-K177 VanDerWaalsContact O-CD 3.22Å; D173-K177 WeakPolarHBondContact O-CD 3.32Å; D173-K177 WeakPolarHBondContact O-CG 3.34Å; D173-K177 PolarHBondContact O-N 3.3Å; F174-K177 PolarHBondContact O-N 3.16Å; F174-K177 VanDerWaalsContact O-N 3.1Å; K177-E180 PolarHBondContact O-N 3.37Å; K177-E181 WeakPolarHBondContact O-CB 3.47Å; K177-E181 PolarHBondContact O-N 2.65Å |
| 178 | E | 95.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 172.5 | -68.7 | -171 | 129.6 | 0 | 0 | 112.2 | F174 T175 Q176 E181 T182 | F174-E178 HydrophobicContact CD1-CG 4.38Å; F174-E178 HydrophobicContact CE1-CG 3.97Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.41Å; F174-E178 VanDerWaalsContact CE1-OE2 3.26Å; F174-E178 WeakPolarHBondContact CE1-OE2 3.48Å; F174-E178 HydrophobicContact CZ-CG 4.16Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.26Å; F174-E178 PolarHBondContact O-N 2.98Å; T175-E178 PolarHBondContact O-N 2.82Å; Q176-E178 PolarHBondContact O-N 3.34Å; E178-E181 PolarHBondContact O-N 3.01Å; E178-T182 WeakPolarHBondContact O-CB 3.37Å; E178-T182 WeakPolarHBondContact O-CG2 3.17Å; E178-T182 PolarHBondContact O-N 2.82Å; E178-T182 PolarHBondContact O-OG1 3.32Å |
| 179 | H | 95.4 | Very high | 95.6 | Very high | 119 Ų | 119 | 100 Ų | 100 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 174.1 | -70 | -40.3 | 0 | 0 | 0 | 112.4 | T175 Q176 E181 T182 L183 | T175-H179 WeakPolarHBondContact O-CB 3.48Å; T175-H179 PolarHBondContact O-CD2 3.47Å; T175-H179 VanDerWaalsContact O-CG 3.25Å; T175-H179 PolarHBondContact O-N 2.96Å; Q176-H179 PolarHBondContact O-N 2.84Å; H179-E181 PolarHBondContact O-N 3.02Å; H179-T182 WeakPolarHBondContact CA-OG1 3.31Å; H179-T182 PolarHBondContact O-N 2.71Å; H179-T182 PolarHBondContact O-OG1 3.07Å; H179-T182 VanDerWaalsContact O-OG1 3.1Å; H179-L183 VanDerWaalsContact O-CB 3.3Å; H179-L183 WeakPolarHBondContact O-CB 3.32Å; H179-L183 VanDerWaalsContact O-CG 3.23Å; H179-L183 WeakPolarHBondContact O-CG 3.39Å; H179-L183 PolarHBondContact O-N 2.92Å |
| 180 | E | 96.3 | Very high | 95.7 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 174 | -74.2 | 176.4 | -163.1 | 0 | 0 | 112.5 | Q176 K177 R184 | Q176-E180 HydrophobicContact CG-CG 4.4Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.28Å; Q176-E180 PolarHBondContact NE2-OE1 2.8Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 3.27Å; K177-E180 PolarHBondContact O-N 3.37Å; E180-R184 VanDerWaalsContact O-CB 3.31Å; E180-R184 WeakPolarHBondContact O-CB 3.39Å; E180-R184 PolarHBondContact O-N 3.49Å |
| 181 | E | 96.4 | Very high | 95.7 | Very high | 95 Ų | 95 | 98.2 Ų | 98.2 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.5 | -37.9 | 177.9 | -162.9 | -173.4 | 148.4 | 0 | 0 | 112.1 | K177 E178 H179 R184 K185 | K177-E181 WeakPolarHBondContact O-CB 3.47Å; K177-E181 PolarHBondContact O-N 2.65Å; E178-E181 PolarHBondContact O-N 3.01Å; H179-E181 PolarHBondContact O-N 3.02Å; E181-R184 PolarHBondContact O-N 2.86Å; E181-K185 HydrophobicContact CG-CD 4.45Å; E181-K185 WeakPolarHBondContact O-CB 3.42Å; E181-K185 VanDerWaalsContact O-CG 3.29Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 3.38Å; E181-K185 WeakPolarHBondContact OE1-CE 3.45Å; E181-K185 IonicContact OE1-NZ 2.72Å; E181-K185 PolarHBondContact OE1-NZ 3.42Å |
| 182 | T | 96.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 175 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | E178 H179 R184 K185 T186 | E178-T182 WeakPolarHBondContact O-CB 3.37Å; E178-T182 WeakPolarHBondContact O-CG2 3.17Å; E178-T182 PolarHBondContact O-N 2.82Å; E178-T182 PolarHBondContact O-OG1 3.32Å; H179-T182 WeakPolarHBondContact CA-OG1 3.31Å; H179-T182 PolarHBondContact O-N 2.71Å; H179-T182 PolarHBondContact O-OG1 3.07Å; H179-T182 VanDerWaalsContact O-OG1 3.1Å; T182-R184 VanDerWaalsContact C-N 3.34Å; T182-R184 PolarHBondContact O-N 3.2Å; T182-K185 PolarHBondContact O-N 2.85Å; T182-T186 WeakPolarHBondContact O-CG2 3.39Å; T182-T186 PolarHBondContact O-N 3.01Å; T182-T186 PolarHBondContact O-OG1 2.97Å; T182-T186 VanDerWaalsContact O-OG1 3.1Å |
| 183 | L | 95.8 | Very high | 95.9 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 170.8 | -74.6 | 169.9 | 0 | 0 | 0 | 112 | H179 T186 E187 | H179-L183 VanDerWaalsContact O-CB 3.3Å; H179-L183 WeakPolarHBondContact O-CB 3.32Å; H179-L183 VanDerWaalsContact O-CG 3.23Å; H179-L183 WeakPolarHBondContact O-CG 3.39Å; H179-L183 PolarHBondContact O-N 2.92Å; L183-T186 WeakPolarHBondContact CA-OG1 3.49Å; L183-T186 PolarHBondContact O-N 2.87Å; L183-T186 PolarHBondContact O-OG1 3.18Å; L183-E187 WeakPolarHBondContact O-CB 3.35Å; L183-E187 PolarHBondContact O-N 2.95Å |
| 184 | R | 96.6 | Very high | 96 | Very high | 147 Ų | 147 | 99.7 Ų | 99.7 | 56% | 0.555 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 175.6 | -165.4 | -176.8 | -49.9 | 161.6 | 10.3 | 111.6 | E180 E181 T182 T186 E187 D188 | E180-R184 VanDerWaalsContact O-CB 3.31Å; E180-R184 WeakPolarHBondContact O-CB 3.39Å; E180-R184 PolarHBondContact O-N 3.49Å; E181-R184 PolarHBondContact O-N 2.86Å; T182-R184 VanDerWaalsContact C-N 3.34Å; T182-R184 PolarHBondContact O-N 3.2Å; R184-T186 VanDerWaalsContact C-N 3.35Å; R184-T186 PolarHBondContact O-N 3.23Å; R184-E187 PolarHBondContact O-N 2.97Å; R184-D188 VanDerWaalsContact O-CB 3.29Å; R184-D188 WeakPolarHBondContact O-CB 3.49Å; R184-D188 PolarHBondContact O-N 3.3Å |
| 185 | K | 96.7 | Very high | 95.9 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.4 | -74.9 | 166.3 | -177.6 | 165 | 0 | 112.7 | E181 T182 S189 | E181-K185 HydrophobicContact CG-CD 4.45Å; E181-K185 WeakPolarHBondContact O-CB 3.42Å; E181-K185 VanDerWaalsContact O-CG 3.29Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 3.38Å; E181-K185 WeakPolarHBondContact OE1-CE 3.45Å; E181-K185 IonicContact OE1-NZ 2.72Å; E181-K185 PolarHBondContact OE1-NZ 3.42Å; T182-K185 PolarHBondContact O-N 2.85Å; K185-S189 PolarHBondContact O-N 3.07Å; K185-S189 PolarHBondContact O-OG 3.44Å |
| 186 | T | 94.3 | Very high | 96.1 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.4 | -40.5 | 178.6 | 51 | 0 | 0 | 0 | 0 | 112.2 | T182 L183 R184 S189 F190 | T182-T186 WeakPolarHBondContact O-CG2 3.39Å; T182-T186 PolarHBondContact O-N 3.01Å; T182-T186 PolarHBondContact O-OG1 2.97Å; T182-T186 VanDerWaalsContact O-OG1 3.1Å; L183-T186 WeakPolarHBondContact CA-OG1 3.49Å; L183-T186 PolarHBondContact O-N 2.87Å; L183-T186 PolarHBondContact O-OG1 3.18Å; R184-T186 VanDerWaalsContact C-N 3.35Å; R184-T186 PolarHBondContact O-N 3.23Å; T186-S189 WeakPolarHBondContact CA-OG 3.41Å; T186-S189 PolarHBondContact O-N 3.29Å; T186-S189 PolarHBondContact O-OG 2.9Å; T186-F190 WeakPolarHBondContact O-CB 3.41Å; T186-F190 PolarHBondContact O-N 3.04Å |
| 187 | E | 95.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 94.9 Ų | 94.9 | 41% | 0.407 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 171.7 | -179.7 | 58 | -158.4 | 0 | 0 | 111.3 | L183 R184 S189 F190 Q191 | L183-E187 WeakPolarHBondContact O-CB 3.35Å; L183-E187 PolarHBondContact O-N 2.95Å; R184-E187 PolarHBondContact O-N 2.97Å; E187-S189 VanDerWaalsContact C-N 3.27Å; E187-S189 PolarHBondContact O-N 3.13Å; E187-F190 PolarHBondContact O-N 3.47Å; E187-F190 VanDerWaalsContact O-N 3.09Å; E187-Q191 HydrophobicContact CG-CG 4.44Å; E187-Q191 WeakPolarHBondContact O-CG 3.45Å; E187-Q191 PolarHBondContact O-N 3.25Å; E187-Q191 VanDerWaalsContact OE1-CG 3.3Å; E187-Q191 WeakPolarHBondContact OE1-CG 3.29Å; E187-Q191 PolarHBondContact OE1-NE2 2.99Å |
| 188 | D | 96.5 | Very high | 96.1 | Very high | 77 Ų | 77 | 94.3 Ų | 94.3 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.9 | -33.9 | 174.8 | -76.4 | -26.9 | 0 | 0 | 0 | 112.1 | R184 R192 | R184-D188 VanDerWaalsContact O-CB 3.29Å; R184-D188 WeakPolarHBondContact O-CB 3.49Å; R184-D188 PolarHBondContact O-N 3.3Å; D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-N 3.29Å; D188-R192 PolarHBondContact O-NE 2.66Å |
| 189 | S | 95.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 97.3 Ų | 97.3 | 29% | 0.287 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.1 | -47 | 169.4 | 44.4 | 0 | 0 | 0 | 0 | 112.4 | K185 T186 E187 Q191 R192 D193 | K185-S189 PolarHBondContact O-N 3.07Å; K185-S189 PolarHBondContact O-OG 3.44Å; T186-S189 WeakPolarHBondContact CA-OG 3.41Å; T186-S189 PolarHBondContact O-N 3.29Å; T186-S189 PolarHBondContact O-OG 2.9Å; E187-S189 VanDerWaalsContact C-N 3.27Å; E187-S189 PolarHBondContact O-N 3.13Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; S189-Q191 PolarHBondContact O-N 3.46Å; S189-R192 WeakPolarHBondContact O-CB 3.42Å; S189-R192 PolarHBondContact O-N 3.08Å; S189-D193 VanDerWaalsContact O-CG 3.32Å; S189-D193 PolarHBondContact O-N 3.32Å |
| 190 | F | 96.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | -179.6 | 177.7 | -110.5 | 0 | 0 | 0 | 112 | T186 E187 D193 Q194 | T186-F190 WeakPolarHBondContact O-CB 3.41Å; T186-F190 PolarHBondContact O-N 3.04Å; E187-F190 PolarHBondContact O-N 3.47Å; E187-F190 VanDerWaalsContact O-N 3.09Å; F190-D193 PolarHBondContact O-N 2.83Å; F190-Q194 WeakPolarHBondContact O-CB 3.48Å; F190-Q194 PolarHBondContact O-N 2.84Å |
| 191 | Q | 96.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 98.2 Ų | 98.2 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.9 | -68.4 | -173.8 | 19.6 | 0 | 0 | 112.7 | E187 S189 A195 | E187-Q191 HydrophobicContact CG-CG 4.44Å; E187-Q191 WeakPolarHBondContact O-CG 3.45Å; E187-Q191 PolarHBondContact O-N 3.25Å; E187-Q191 VanDerWaalsContact OE1-CG 3.3Å; E187-Q191 WeakPolarHBondContact OE1-CG 3.29Å; E187-Q191 PolarHBondContact OE1-NE2 2.99Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; S189-Q191 PolarHBondContact O-N 3.46Å; Q191-A195 WeakPolarHBondContact O-CB 3.5Å; Q191-A195 PolarHBondContact O-N 2.87Å |
| 192 | R | 96.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | 175.2 | -80.6 | 177.3 | -72.4 | 151 | -1.8 | 111.8 | D188 S189 A195 S196 | D188-R192 WeakPolarHBondContact O-CG 3.46Å; D188-R192 PolarHBondContact O-N 3.29Å; D188-R192 PolarHBondContact O-NE 2.66Å; S189-R192 WeakPolarHBondContact O-CB 3.42Å; S189-R192 PolarHBondContact O-N 3.08Å; R192-A195 CarbonylContact O-C 3.5Å; R192-A195 WeakPolarHBondContact O-CB 3.39Å; R192-A195 PolarHBondContact O-N 3.46Å; R192-S196 PolarHBondContact O-N 3.3Å |
| 193 | D | 95.8 | Very high | 96.1 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | -179.1 | -64.1 | -15.9 | 0 | 0 | 0 | 110.8 | S189 F190 A195 S196 L197 | S189-D193 VanDerWaalsContact O-CG 3.32Å; S189-D193 PolarHBondContact O-N 3.32Å; F190-D193 PolarHBondContact O-N 2.83Å; D193-A195 PolarHBondContact O-N 2.61Å; D193-S196 PolarHBondContact O-N 2.91Å; D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 PolarHBondContact O-N 3.26Å |
| 194 | Q | 96.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 172.3 | -167.3 | -160.8 | 109.1 | 0 | 0 | 111.4 | F190 K198 | F190-Q194 WeakPolarHBondContact O-CB 3.48Å; F190-Q194 PolarHBondContact O-N 2.84Å; Q194-K198 HydrophobicContact CG-CD 4.32Å; Q194-K198 VanDerWaalsContact O-CB 3.27Å; Q194-K198 WeakPolarHBondContact O-CB 3.42Å; Q194-K198 WeakPolarHBondContact O-CD 3.43Å; Q194-K198 WeakPolarHBondContact O-CG 3.39Å; Q194-K198 PolarHBondContact O-N 3.26Å |
| 195 | A | 95.8 | Very high | 96 | Very high | 31 Ų | 31 | 99.2 Ų | 99.2 | 26% | 0.256 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.9 | -33.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q191 R192 D193 R199 | Q191-A195 WeakPolarHBondContact O-CB 3.5Å; Q191-A195 PolarHBondContact O-N 2.87Å; R192-A195 CarbonylContact O-C 3.5Å; R192-A195 WeakPolarHBondContact O-CB 3.39Å; R192-A195 PolarHBondContact O-N 3.46Å; D193-A195 PolarHBondContact O-N 2.61Å; A195-R199 VanDerWaalsContact O-CG 3.32Å; A195-R199 WeakPolarHBondContact O-CG 3.29Å; A195-R199 PolarHBondContact O-N 2.91Å; A195-R199 VanDerWaalsContact O-N 3.15Å; A195-R199 PolarHBondContact O-NH1 3.01Å |
| 196 | S | 96.8 | Very high | 96 | Very high | 47 Ų | 47 | 98.9 Ų | 98.9 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -53 | 174.3 | -155.3 | 0 | 0 | 0 | 0 | 110.8 | R192 D193 K198 R199 E200 | R192-S196 PolarHBondContact O-N 3.3Å; D193-S196 PolarHBondContact O-N 2.91Å; S196-K198 VanDerWaalsContact C-N 3.27Å; S196-K198 PolarHBondContact O-N 3.03Å; S196-R199 CarbonylContact O-C 3.55Å; S196-R199 WeakPolarHBondContact O-CA 3.41Å; S196-R199 WeakPolarHBondContact O-CB 3.39Å; S196-R199 PolarHBondContact O-N 3Å; S196-E200 VanDerWaalsContact C-OE1 3.25Å; S196-E200 VanDerWaalsContact CB-OE1 3.31Å; S196-E200 WeakPolarHBondContact CB-OE1 3.4Å; S196-E200 PolarHBondContact O-N 3.07Å; S196-E200 PolarHBondContact OG-OE1 3.43Å |
| 197 | L | 96.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.9 | -40.8 | 176.6 | -173.8 | 64.7 | 0 | 0 | 0 | 112 | D193 R199 E200 M201 | D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 PolarHBondContact O-N 3.26Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 2.81Å; L197-E200 PolarHBondContact O-N 3.22Å; L197-M201 HydrophobicContact CD1-CG 4.42Å; L197-M201 WeakPolarHBondContact O-CB 3.32Å; L197-M201 VanDerWaalsContact O-CG 3.3Å; L197-M201 WeakPolarHBondContact O-CG 3.25Å; L197-M201 PolarHBondContact O-N 3.31Å |
| 198 | K | 95.4 | Very high | 96.1 | Very high | 112 Ų | 112 | 102 Ų | 102 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -28.1 | 173.3 | -78.6 | 171.4 | 175.8 | 177.4 | 0 | 113.7 | Q194 S196 R202 | Q194-K198 HydrophobicContact CG-CD 4.32Å; Q194-K198 VanDerWaalsContact O-CB 3.27Å; Q194-K198 WeakPolarHBondContact O-CB 3.42Å; Q194-K198 WeakPolarHBondContact O-CD 3.43Å; Q194-K198 WeakPolarHBondContact O-CG 3.39Å; Q194-K198 PolarHBondContact O-N 3.26Å; S196-K198 VanDerWaalsContact C-N 3.27Å; S196-K198 PolarHBondContact O-N 3.03Å; K198-R202 WeakPolarHBondContact O-CD 3.39Å; K198-R202 WeakPolarHBondContact O-CG 3.28Å |
| 199 | R | 96.2 | Very high | 96.1 | Very high | 158 Ų | 158 | 101.5 Ų | 101.5 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -78.9 | -43.5 | 172.5 | -70.1 | 175.3 | -161 | 102.5 | -6.6 | 111.4 | A195 S196 L197 R202 L203 | A195-R199 VanDerWaalsContact O-CG 3.32Å; A195-R199 WeakPolarHBondContact O-CG 3.29Å; A195-R199 PolarHBondContact O-N 2.91Å; A195-R199 VanDerWaalsContact O-N 3.15Å; A195-R199 PolarHBondContact O-NH1 3.01Å; S196-R199 CarbonylContact O-C 3.55Å; S196-R199 WeakPolarHBondContact O-CA 3.41Å; S196-R199 WeakPolarHBondContact O-CB 3.39Å; S196-R199 PolarHBondContact O-N 3Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 2.81Å; R199-R202 WeakPolarHBondContact O-CB 3.35Å; R199-R202 PolarHBondContact O-N 2.82Å; R199-L203 WeakPolarHBondContact O-CB 3.36Å; R199-L203 PolarHBondContact O-N 3.33Å |
| 200 | E | 96 | Very high | 96.1 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 179.4 | -71.1 | 156.1 | -130 | 0 | 0 | 111.4 | S196 L197 R202 L203 M204 | S196-E200 VanDerWaalsContact C-OE1 3.25Å; S196-E200 VanDerWaalsContact CB-OE1 3.31Å; S196-E200 WeakPolarHBondContact CB-OE1 3.4Å; S196-E200 PolarHBondContact O-N 3.07Å; S196-E200 PolarHBondContact OG-OE1 3.43Å; L197-E200 PolarHBondContact O-N 3.22Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 PolarHBondContact O-N 3.04Å; E200-L203 WeakPolarHBondContact O-CB 3.47Å; E200-L203 PolarHBondContact O-N 2.91Å; E200-M204 WeakPolarHBondContact O-CG 3.21Å; E200-M204 PolarHBondContact O-N 2.82Å |
| 201 | M | 94.6 | Very high | 96.1 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | 174.6 | -71.4 | -60.9 | -62.2 | 0 | 0 | 112.7 | L197 C205 | L197-M201 HydrophobicContact CD1-CG 4.42Å; L197-M201 WeakPolarHBondContact O-CB 3.32Å; L197-M201 VanDerWaalsContact O-CG 3.3Å; L197-M201 WeakPolarHBondContact O-CG 3.25Å; L197-M201 PolarHBondContact O-N 3.31Å; M201-C205 VanDerWaalsContact O-CB 3.24Å; M201-C205 WeakPolarHBondContact O-CB 3.43Å; M201-C205 PolarHBondContact O-N 3.32Å |
| 202 | R | 96.5 | Very high | 96.1 | Very high | 175 Ų | 175 | 103.7 Ų | 103.7 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -38.7 | 173.6 | -74.5 | 170.9 | -177.3 | 177.8 | -0.8 | 112 | K198 R199 E200 N206 | K198-R202 WeakPolarHBondContact O-CD 3.39Å; K198-R202 WeakPolarHBondContact O-CG 3.28Å; R199-R202 WeakPolarHBondContact O-CB 3.35Å; R199-R202 PolarHBondContact O-N 2.82Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 PolarHBondContact O-N 3.04Å; R202-N206 VanDerWaalsContact O-CB 3.27Å; R202-N206 WeakPolarHBondContact O-CB 3.32Å; R202-N206 PolarHBondContact O-N 2.99Å; R202-N206 PolarHBondContact O-ND2 2.84Å |
| 203 | L | 96.8 | Very high | 96.1 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | 177.4 | -178.8 | 62.3 | 0 | 0 | 0 | 110.9 | R199 E200 N206 Q207 | R199-L203 WeakPolarHBondContact O-CB 3.36Å; R199-L203 PolarHBondContact O-N 3.33Å; E200-L203 WeakPolarHBondContact O-CB 3.47Å; E200-L203 PolarHBondContact O-N 2.91Å; L203-N206 PolarHBondContact O-N 3.23Å; L203-Q207 HydrophobicContact CD1-CG 4.45Å; L203-Q207 WeakPolarHBondContact O-CB 3.36Å; L203-Q207 VanDerWaalsContact O-CG 3.32Å; L203-Q207 WeakPolarHBondContact O-CG 3.4Å; L203-Q207 PolarHBondContact O-N 3.42Å |
| 204 | M | 95.9 | Very high | 96.2 | Very high | 117 Ų | 117 | 102.3 Ų | 102.3 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.2 | -50.5 | 175.6 | -69.9 | -59.3 | -60.3 | 0 | 0 | 111.5 | E200 N206 Q207 E208 | E200-M204 WeakPolarHBondContact O-CG 3.21Å; E200-M204 PolarHBondContact O-N 2.82Å; M204-N206 VanDerWaalsContact C-N 3.35Å; M204-N206 PolarHBondContact O-N 3.4Å; M204-Q207 PolarHBondContact O-N 2.88Å; M204-E208 WeakPolarHBondContact O-CB 3.38Å; M204-E208 PolarHBondContact O-N 3.25Å |
| 205 | C | 95.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | M201 Q207 E208 I209 | M201-C205 VanDerWaalsContact O-CB 3.24Å; M201-C205 WeakPolarHBondContact O-CB 3.43Å; M201-C205 PolarHBondContact O-N 3.32Å; C205-Q207 PolarHBondContact O-N 3.1Å; C205-E208 PolarHBondContact O-N 2.63Å; C205-I209 WeakPolarHBondContact O-CB 3.41Å; C205-I209 WeakPolarHBondContact O-CD1 3.36Å; C205-I209 WeakPolarHBondContact O-CG1 3.48Å; C205-I209 PolarHBondContact O-N 3.28Å |
| 206 | N | 96.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 106.4 Ų | 106.4 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -38.2 | 175.5 | -75.9 | -24.2 | 0 | 0 | 0 | 112.9 | R202 L203 M204 A210 | R202-N206 VanDerWaalsContact O-CB 3.27Å; R202-N206 WeakPolarHBondContact O-CB 3.32Å; R202-N206 PolarHBondContact O-N 2.99Å; R202-N206 PolarHBondContact O-ND2 2.84Å; L203-N206 PolarHBondContact O-N 3.23Å; M204-N206 VanDerWaalsContact C-N 3.35Å; M204-N206 PolarHBondContact O-N 3.4Å; N206-A210 VanDerWaalsContact O-CB 3.26Å; N206-A210 WeakPolarHBondContact O-CB 3.42Å; N206-A210 PolarHBondContact O-N 3.06Å |
| 207 | Q | 96.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 110.3 Ų | 110.3 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175.4 | -74.7 | 175.6 | 0.7 | 0 | 0 | 111.6 | L203 M204 C205 A210 K211 | L203-Q207 HydrophobicContact CD1-CG 4.45Å; L203-Q207 WeakPolarHBondContact O-CB 3.36Å; L203-Q207 VanDerWaalsContact O-CG 3.32Å; L203-Q207 WeakPolarHBondContact O-CG 3.4Å; L203-Q207 PolarHBondContact O-N 3.42Å; M204-Q207 PolarHBondContact O-N 2.88Å; C205-Q207 PolarHBondContact O-N 3.1Å; Q207-A210 PolarHBondContact O-N 3.14Å; Q207-K211 WeakPolarHBondContact O-CB 3.36Å; Q207-K211 PolarHBondContact O-N 2.93Å |
| 208 | E | 95.8 | Very high | 96.2 | Very high | 128 Ų | 128 | 109.9 Ų | 109.9 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 177 | -168.6 | 171.5 | -146.9 | 0 | 0 | 111.4 | M204 C205 A210 K211 M212 | M204-E208 WeakPolarHBondContact O-CB 3.38Å; M204-E208 PolarHBondContact O-N 3.25Å; C205-E208 PolarHBondContact O-N 2.63Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 2.81Å; E208-K211 PolarHBondContact O-N 3.11Å; E208-M212 HydrophobicContact CG-CE 4.2Å; E208-M212 WeakPolarHBondContact O-CB 3.22Å; E208-M212 WeakPolarHBondContact O-CG 3.49Å; E208-M212 PolarHBondContact O-N 3.29Å |
| 209 | I | 96 | Very high | 96.3 | Very high | 65 Ų | 65 | 106.8 Ų | 106.8 | 33% | 0.333 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 171.8 | -70.5 | 167.1 | 0 | 0 | 0 | 111.4 | C205 M212 K213 | C205-I209 WeakPolarHBondContact O-CB 3.41Å; C205-I209 WeakPolarHBondContact O-CD1 3.36Å; C205-I209 WeakPolarHBondContact O-CG1 3.48Å; C205-I209 PolarHBondContact O-N 3.28Å; I209-M212 HydrophobicContact CG1-CE 4.24Å; I209-K213 HydrophobicContact CG2-CD 4.15Å; I209-K213 WeakPolarHBondContact O-CB 3.44Å; I209-K213 VanDerWaalsContact O-CG 3.26Å; I209-K213 WeakPolarHBondContact O-CG 3.17Å; I209-K213 PolarHBondContact O-N 3.33Å |
| 210 | A | 96.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N206 Q207 E208 K213 L214 | N206-A210 VanDerWaalsContact O-CB 3.26Å; N206-A210 WeakPolarHBondContact O-CB 3.42Å; N206-A210 PolarHBondContact O-N 3.06Å; Q207-A210 PolarHBondContact O-N 3.14Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 2.81Å; A210-K213 PolarHBondContact O-N 2.9Å; A210-L214 PolarHBondContact O-N 3.02Å |
| 211 | K | 96.7 | Very high | 96.4 | Very high | 135 Ų | 135 | 99.5 Ų | 99.5 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -51.5 | 175.3 | -171.1 | -171.1 | 171.2 | -167.8 | 0 | 111.5 | Q207 E208 K213 L214 D215 | Q207-K211 WeakPolarHBondContact O-CB 3.36Å; Q207-K211 PolarHBondContact O-N 2.93Å; E208-K211 PolarHBondContact O-N 3.11Å; K211-K213 PolarHBondContact O-N 2.96Å; K211-L214 WeakPolarHBondContact O-CA 3.27Å; K211-L214 PolarHBondContact O-N 2.89Å; K211-D215 WeakPolarHBondContact CE-OD2 3.49Å; K211-D215 VanDerWaalsContact O-CG 3.3Å; K211-D215 PolarHBondContact O-N 3.37Å |
| 212 | M | 95.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.4 | -36.4 | 176.8 | -73.7 | -170.5 | -67 | 0 | 0 | 112.2 | E208 I209 H216 | E208-M212 HydrophobicContact CG-CE 4.2Å; E208-M212 WeakPolarHBondContact O-CB 3.22Å; E208-M212 WeakPolarHBondContact O-CG 3.49Å; E208-M212 PolarHBondContact O-N 3.29Å; I209-M212 HydrophobicContact CG1-CE 4.24Å; M212-H216 WeakPolarHBondContact O-CB 3.36Å; M212-H216 PolarHBondContact O-N 3.32Å |
| 213 | K | 96.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 97.5 Ų | 97.5 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -47 | 172 | -78.4 | 173.1 | 179.7 | 179.8 | 0 | 112 | I209 A210 K211 H216 H217 | I209-K213 HydrophobicContact CG2-CD 4.15Å; I209-K213 WeakPolarHBondContact O-CB 3.44Å; I209-K213 VanDerWaalsContact O-CG 3.26Å; I209-K213 WeakPolarHBondContact O-CG 3.17Å; I209-K213 PolarHBondContact O-N 3.33Å; A210-K213 PolarHBondContact O-N 2.9Å; K211-K213 PolarHBondContact O-N 2.96Å; K213-H216 PolarHBondContact O-N 2.92Å; K213-H217 PolarHBondContact O-N 3.1Å; K213-H217 PolarHBondContact O-ND1 3.42Å |
| 214 | L | 97.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 98.3 Ų | 98.3 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -49.3 | 179.2 | -173.1 | 149.3 | 0 | 0 | 0 | 111.4 | A210 K211 H216 H217 E218 | A210-L214 PolarHBondContact O-N 3.02Å; K211-L214 WeakPolarHBondContact O-CA 3.27Å; K211-L214 PolarHBondContact O-N 2.89Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 2.62Å; L214-H217 PolarHBondContact O-N 3.47Å; L214-H217 VanDerWaalsContact O-N 3.13Å; L214-E218 PolarHBondContact O-N 2.93Å |
| 215 | D | 96.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57 | -40.2 | 177.3 | -62.9 | -9.9 | 0 | 0 | 0 | 110.9 | K211 A219 | K211-D215 WeakPolarHBondContact CE-OD2 3.49Å; K211-D215 VanDerWaalsContact O-CG 3.3Å; K211-D215 PolarHBondContact O-N 3.37Å; D215-A219 WeakPolarHBondContact O-CB 3.14Å; D215-A219 PolarHBondContact O-N 2.77Å |
| 216 | H | 96.3 | Very high | 96.8 | Very high | 119 Ų | 119 | 96.4 Ų | 96.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68 | -43.7 | 174.9 | -179.7 | 69 | 0 | 0 | 0 | 113.3 | M212 K213 L214 E218 A219 V220 | M212-H216 WeakPolarHBondContact O-CB 3.36Å; M212-H216 PolarHBondContact O-N 3.32Å; K213-H216 PolarHBondContact O-N 2.92Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 2.62Å; H216-E218 VanDerWaalsContact C-N 3.32Å; H216-E218 PolarHBondContact O-N 3.07Å; H216-A219 PolarHBondContact O-N 3.48Å; H216-V220 WeakPolarHBondContact O-CG2 3.37Å; H216-V220 PolarHBondContact O-N 3.39Å |
| 217 | H | 97.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 176.9 | -75.9 | 69.1 | 0 | 0 | 0 | 111.4 | K213 L214 V220 A221 | K213-H217 PolarHBondContact O-N 3.1Å; K213-H217 PolarHBondContact O-ND1 3.42Å; L214-H217 PolarHBondContact O-N 3.47Å; L214-H217 VanDerWaalsContact O-N 3.13Å; H217-V220 PolarHBondContact O-N 3.24Å; H217-A221 WeakPolarHBondContact O-CB 3.33Å; H217-A221 PolarHBondContact O-N 2.84Å |
| 218 | E | 97.2 | Very high | 97 | Very high | 97 Ų | 97 | 94.3 Ų | 94.3 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 175.1 | -157.2 | -163.9 | 159.6 | 0 | 0 | 111.7 | L214 H216 A221 K222 | L214-E218 PolarHBondContact O-N 2.93Å; H216-E218 VanDerWaalsContact C-N 3.32Å; H216-E218 PolarHBondContact O-N 3.07Å; E218-A221 PolarHBondContact O-N 2.83Å; E218-K222 WeakPolarHBondContact O-CB 3.45Å; E218-K222 WeakPolarHBondContact O-CD 3.32Å; E218-K222 VanDerWaalsContact O-CG 3.26Å; E218-K222 WeakPolarHBondContact O-CG 3.23Å; E218-K222 PolarHBondContact O-N 3.09Å; E218-K222 WeakPolarHBondContact OE1-CE 3.46Å; E218-K222 IonicContact OE1-NZ 2.81Å; E218-K222 PolarHBondContact OE1-NZ 3.04Å; E218-K222 IonicContact OE2-NZ 2.72Å |
| 219 | A | 96.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 91.5 Ų | 91.5 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D215 H216 K222 M223 | D215-A219 WeakPolarHBondContact O-CB 3.14Å; D215-A219 PolarHBondContact O-N 2.77Å; H216-A219 PolarHBondContact O-N 3.48Å; A219-K222 PolarHBondContact O-N 3.11Å; A219-M223 WeakPolarHBondContact O-CG 3.41Å; A219-M223 PolarHBondContact O-N 2.91Å |
| 220 | V | 96.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 91 Ų | 91 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 175 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | H216 H217 K222 M223 E224 | H216-V220 WeakPolarHBondContact O-CG2 3.37Å; H216-V220 PolarHBondContact O-N 3.39Å; H217-V220 PolarHBondContact O-N 3.24Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 2.95Å; V220-M223 CarbonylContact O-C 3.53Å; V220-M223 WeakPolarHBondContact O-CA 3.45Å; V220-M223 WeakPolarHBondContact O-CB 3.42Å; V220-M223 PolarHBondContact O-N 3.48Å; V220-E224 HydrophobicContact CG1-CG 4.29Å; V220-E224 WeakPolarHBondContact O-CG 3.27Å; V220-E224 PolarHBondContact O-N 2.69Å |
| 221 | A | 97.6 | Very high | 97.2 | Very high | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H217 E218 S225 | H217-A221 WeakPolarHBondContact O-CB 3.33Å; H217-A221 PolarHBondContact O-N 2.84Å; E218-A221 PolarHBondContact O-N 2.83Å; A221-S225 VanDerWaalsContact O-CB 3.29Å; A221-S225 WeakPolarHBondContact O-CB 3.33Å; A221-S225 PolarHBondContact O-N 2.72Å |
| 222 | K | 97.5 | Very high | 97.3 | Very high | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 171.8 | -75.5 | 166.5 | -176.9 | 165.4 | 0 | 111.8 | E218 A219 V220 S225 A226 | E218-K222 WeakPolarHBondContact O-CB 3.45Å; E218-K222 WeakPolarHBondContact O-CD 3.32Å; E218-K222 VanDerWaalsContact O-CG 3.26Å; E218-K222 WeakPolarHBondContact O-CG 3.23Å; E218-K222 PolarHBondContact O-N 3.09Å; E218-K222 WeakPolarHBondContact OE1-CE 3.46Å; E218-K222 IonicContact OE1-NZ 2.81Å; E218-K222 PolarHBondContact OE1-NZ 3.04Å; E218-K222 IonicContact OE2-NZ 2.72Å; A219-K222 PolarHBondContact O-N 3.11Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 2.95Å; K222-S225 PolarHBondContact O-N 2.96Å; K222-A226 WeakPolarHBondContact O-CB 3.27Å; K222-A226 PolarHBondContact O-N 2.75Å |
| 223 | M | 97.2 | Very high | 97.4 | Very high | 137 Ų | 137 | 94 Ų | 94 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 175.2 | -73.6 | 174.3 | 57.4 | 0 | 0 | 112.3 | A219 V220 A226 L227 | A219-M223 WeakPolarHBondContact O-CG 3.41Å; A219-M223 PolarHBondContact O-N 2.91Å; V220-M223 CarbonylContact O-C 3.53Å; V220-M223 WeakPolarHBondContact O-CA 3.45Å; V220-M223 WeakPolarHBondContact O-CB 3.42Å; V220-M223 PolarHBondContact O-N 3.48Å; M223-A226 PolarHBondContact O-N 3.11Å; M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.23Å |
| 224 | E | 98.1 | Very high | 97.4 | Very high | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.5 | -70.6 | 177.8 | 159.8 | 0 | 0 | 111.9 | V220 L227 T228 | V220-E224 HydrophobicContact CG1-CG 4.29Å; V220-E224 WeakPolarHBondContact O-CG 3.27Å; V220-E224 PolarHBondContact O-N 2.69Å; E224-L227 PolarHBondContact O-N 3.47Å; E224-T228 WeakPolarHBondContact O-CB 3.4Å; E224-T228 WeakPolarHBondContact O-CG2 3.25Å; E224-T228 PolarHBondContact O-N 2.94Å; E224-T228 PolarHBondContact O-OG1 3.39Å |
| 225 | S | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 91.7 Ų | 91.7 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 173.5 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | A221 K222 L227 T228 S229 | A221-S225 VanDerWaalsContact O-CB 3.29Å; A221-S225 WeakPolarHBondContact O-CB 3.33Å; A221-S225 PolarHBondContact O-N 2.72Å; K222-S225 PolarHBondContact O-N 2.96Å; S225-L227 PolarHBondContact O-N 2.98Å; S225-T228 PolarHBondContact O-N 3.41Å; S225-T228 PolarHBondContact O-OG1 3.25Å; S225-S229 WeakPolarHBondContact O-CB 3.43Å; S225-S229 PolarHBondContact O-N 2.89Å |
| 226 | A | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 91.3 Ų | 91.3 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K222 M223 S229 A230 | K222-A226 WeakPolarHBondContact O-CB 3.27Å; K222-A226 PolarHBondContact O-N 2.75Å; M223-A226 PolarHBondContact O-N 3.11Å; A226-S229 WeakPolarHBondContact O-CB 3.41Å; A226-S229 PolarHBondContact O-N 2.88Å; A226-A230 WeakPolarHBondContact O-CB 3.26Å; A226-A230 PolarHBondContact O-N 2.85Å |
| 227 | L | 97.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 90.4 Ų | 90.4 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 179.1 | 172.6 | 139.8 | 0 | 0 | 0 | 112.4 | M223 E224 S225 S229 A230 F231 | M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.23Å; E224-L227 PolarHBondContact O-N 3.47Å; S225-L227 PolarHBondContact O-N 2.98Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-A230 PolarHBondContact O-N 3.03Å; L227-F231 HydrophobicContact CD1-CE2 4.34Å; L227-F231 HydrophobicContact CD2-CD2 3.92Å; L227-F231 HydrophobicContact CD2-CE2 3.65Å; L227-F231 HydrophobicContact CG-CD2 4.14Å; L227-F231 HydrophobicContact CG-CE2 3.8Å; L227-F231 WeakPolarHBondContact O-CD2 3.49Å; L227-F231 PolarHBondContact O-N 3.1Å |
| 228 | T | 98.1 | Very high | 97.6 | Very high | 68 Ų | 68 | 88.1 Ų | 88.1 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.7 | -27.5 | 175.2 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | E224 S225 K232 | E224-T228 WeakPolarHBondContact O-CB 3.4Å; E224-T228 WeakPolarHBondContact O-CG2 3.25Å; E224-T228 PolarHBondContact O-N 2.94Å; E224-T228 PolarHBondContact O-OG1 3.39Å; S225-T228 PolarHBondContact O-N 3.41Å; S225-T228 PolarHBondContact O-OG1 3.25Å; T228-K232 WeakPolarHBondContact O-CD 3.46Å; T228-K232 VanDerWaalsContact O-CG 3.31Å; T228-K232 WeakPolarHBondContact O-CG 3.49Å; T228-K232 PolarHBondContact O-N 2.98Å |
| 229 | S | 97.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 88.2 Ų | 88.2 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.5 | -48.3 | 168.7 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | S225 A226 L227 F231 K232 E233 | S225-S229 WeakPolarHBondContact O-CB 3.43Å; S225-S229 PolarHBondContact O-N 2.89Å; A226-S229 WeakPolarHBondContact O-CB 3.41Å; A226-S229 PolarHBondContact O-N 2.88Å; L227-S229 VanDerWaalsContact C-N 3.34Å; S229-F231 VanDerWaalsContact C-N 3.3Å; S229-F231 PolarHBondContact O-N 3.38Å; S229-K232 WeakPolarHBondContact O-CB 3.06Å; S229-K232 PolarHBondContact O-N 2.94Å; S229-K232 VanDerWaalsContact O-N 3.09Å; S229-E233 PolarHBondContact O-N 3.27Å |
| 230 | A | 97.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 89.7 Ų | 89.7 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | A226 L227 E233 R234 | A226-A230 WeakPolarHBondContact O-CB 3.26Å; A226-A230 PolarHBondContact O-N 2.85Å; L227-A230 PolarHBondContact O-N 3.03Å; A230-E233 PolarHBondContact O-N 2.82Å; A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 PolarHBondContact O-N 3.31Å |
| 231 | F | 97.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 91.7 Ų | 91.7 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 172.2 | -75.1 | -42.9 | 0 | 0 | 0 | 113.2 | L227 S229 E233 R234 D235 | L227-F231 HydrophobicContact CD1-CE2 4.34Å; L227-F231 HydrophobicContact CD2-CD2 3.92Å; L227-F231 HydrophobicContact CD2-CE2 3.65Å; L227-F231 HydrophobicContact CG-CD2 4.14Å; L227-F231 HydrophobicContact CG-CE2 3.8Å; L227-F231 WeakPolarHBondContact O-CD2 3.49Å; L227-F231 PolarHBondContact O-N 3.1Å; S229-F231 VanDerWaalsContact C-N 3.3Å; S229-F231 PolarHBondContact O-N 3.38Å; F231-E233 VanDerWaalsContact C-N 3.32Å; F231-E233 PolarHBondContact O-N 2.85Å; F231-R234 VanDerWaalsContact CD1-NH1 3.34Å; F231-R234 PolarHBondContact O-N 3.08Å; F231-D235 WeakPolarHBondContact O-CB 3.33Å; F231-D235 PolarHBondContact O-N 3.05Å |
| 232 | K | 98.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 93.7 Ų | 93.7 | 66% | 0.661 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 174.2 | -71.5 | 165.3 | -175.9 | 169.8 | 0 | 112 | T228 S229 D235 S236 | T228-K232 WeakPolarHBondContact O-CD 3.46Å; T228-K232 VanDerWaalsContact O-CG 3.31Å; T228-K232 WeakPolarHBondContact O-CG 3.49Å; T228-K232 PolarHBondContact O-N 2.98Å; S229-K232 WeakPolarHBondContact O-CB 3.06Å; S229-K232 PolarHBondContact O-N 2.94Å; S229-K232 VanDerWaalsContact O-N 3.09Å; K232-D235 PolarHBondContact O-N 2.83Å; K232-S236 PolarHBondContact O-N 2.87Å; K232-S236 PolarHBondContact O-OG 2.8Å |
| 233 | E | 97.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.4 | -45.3 | 175.1 | -174.4 | 176.5 | -176.9 | 0 | 0 | 111.9 | S229 A230 F231 D235 S236 L237 | S229-E233 PolarHBondContact O-N 3.27Å; A230-E233 PolarHBondContact O-N 2.82Å; F231-E233 VanDerWaalsContact C-N 3.32Å; F231-E233 PolarHBondContact O-N 2.85Å; E233-D235 PolarHBondContact O-N 3.48Å; E233-S236 PolarHBondContact O-N 2.8Å; E233-S236 PolarHBondContact O-OG 2.61Å; E233-L237 HydrophobicContact CG-CD1 3.99Å; E233-L237 HydrophobicContact CG-CG 4.45Å; E233-L237 WeakPolarHBondContact O-CB 3.39Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.5Å; E233-L237 PolarHBondContact O-N 3.25Å |
| 234 | R | 97.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 87.7 Ų | 87.7 | 45% | 0.445 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -53.9 | -43.1 | 171.8 | -175.9 | -156.5 | 67.7 | -168.9 | -7.8 | 111.4 | A230 F231 L237 N238 | A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 PolarHBondContact O-N 3.31Å; F231-R234 VanDerWaalsContact CD1-NH1 3.34Å; F231-R234 PolarHBondContact O-N 3.08Å; R234-L237 PolarHBondContact O-N 3.44Å; R234-N238 WeakPolarHBondContact O-CB 3.41Å; R234-N238 VanDerWaalsContact O-CG 3.23Å; R234-N238 PolarHBondContact O-N 3.21Å; R234-N238 PolarHBondContact O-ND2 3.24Å; R234-N238 VanDerWaalsContact O-ND2 3.16Å |
| 235 | D | 97.8 | Very high | 97.7 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -77.4 | -32.5 | -174.5 | -67.1 | -15.1 | 0 | 0 | 0 | 112.6 | F231 K232 E233 E239 | F231-D235 WeakPolarHBondContact O-CB 3.33Å; F231-D235 PolarHBondContact O-N 3.05Å; K232-D235 PolarHBondContact O-N 2.83Å; E233-D235 PolarHBondContact O-N 3.48Å; D235-E239 PolarHBondContact O-N 3.06Å |
| 236 | S | 97.9 | Very high | 97.8 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 169.3 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | K232 E233 E239 T240 | K232-S236 PolarHBondContact O-N 2.87Å; K232-S236 PolarHBondContact O-OG 2.8Å; E233-S236 PolarHBondContact O-N 2.8Å; E233-S236 PolarHBondContact O-OG 2.61Å; S236-E239 PolarHBondContact O-N 2.91Å; S236-T240 PolarHBondContact O-N 2.97Å; S236-T240 PolarHBondContact O-OG1 3.43Å |
| 237 | L | 97.6 | Very high | 97.7 | Very high | 99 Ų | 99 | 91.1 Ų | 91.1 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 173.4 | -71.3 | 172.2 | 0 | 0 | 0 | 112.6 | E233 R234 T240 L241 | E233-L237 HydrophobicContact CG-CD1 3.99Å; E233-L237 HydrophobicContact CG-CG 4.45Å; E233-L237 WeakPolarHBondContact O-CB 3.39Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.5Å; E233-L237 PolarHBondContact O-N 3.25Å; R234-L237 PolarHBondContact O-N 3.44Å; L237-T240 PolarHBondContact O-OG1 3.18Å; L237-T240 VanDerWaalsContact O-OG1 3.14Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.22Å; L237-L241 PolarHBondContact O-N 2.81Å |
| 238 | N | 97.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 89.2 Ų | 89.2 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 174 | -80.9 | -34.6 | 0 | 0 | 0 | 111.9 | R234 K242 | R234-N238 WeakPolarHBondContact O-CB 3.41Å; R234-N238 VanDerWaalsContact O-CG 3.23Å; R234-N238 PolarHBondContact O-N 3.21Å; R234-N238 PolarHBondContact O-ND2 3.24Å; R234-N238 VanDerWaalsContact O-ND2 3.16Å; N238-K242 WeakPolarHBondContact O-CB 3.25Å; N238-K242 PolarHBondContact O-N 3.06Å |
| 239 | E | 98 | Very high | 97.7 | Very high | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 177.5 | -71.6 | -66.4 | 125.5 | 0 | 0 | 112.5 | D235 S236 K242 T243 | D235-E239 PolarHBondContact O-N 3.06Å; S236-E239 PolarHBondContact O-N 2.91Å; E239-K242 WeakPolarHBondContact O-CB 3.45Å; E239-K242 PolarHBondContact O-N 2.93Å; E239-K242 VanDerWaalsContact OE1-CD 3.25Å; E239-K242 WeakPolarHBondContact OE1-CD 3.45Å; E239-K242 IonicContact OE1-NZ 2.96Å; E239-K242 PolarHBondContact OE1-NZ 3.34Å; E239-K242 WeakPolarHBondContact OE2-CD 3.37Å; E239-K242 IonicContact OE2-NZ 2.82Å; E239-K242 PolarHBondContact OE2-NZ 3.13Å; E239-T243 PolarHBondContact O-N 3.01Å |
| 240 | T | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 89 Ų | 89 | 47% | 0.466 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 173 | 58.3 | 0 | 0 | 0 | 0 | 113 | S236 L237 K242 T243 T244 | S236-T240 PolarHBondContact O-N 2.97Å; S236-T240 PolarHBondContact O-OG1 3.43Å; L237-T240 PolarHBondContact O-OG1 3.18Å; L237-T240 VanDerWaalsContact O-OG1 3.14Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-T243 PolarHBondContact O-N 3.33Å; T240-T243 PolarHBondContact O-OG1 3.3Å; T240-T243 VanDerWaalsContact O-OG1 3.08Å; T240-T244 WeakPolarHBondContact O-CB 3.42Å; T240-T244 WeakPolarHBondContact O-CG2 3.34Å; T240-T244 PolarHBondContact O-N 2.9Å; T240-T244 PolarHBondContact O-OG1 2.99Å |
| 241 | L | 97.5 | Very high | 97.7 | Very high | 94 Ų | 94 | 91.7 Ų | 91.7 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 169.4 | 178.9 | 59.2 | 0 | 0 | 0 | 111 | L237 T244 I245 | L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.22Å; L237-L241 PolarHBondContact O-N 2.81Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-OG1 3.16Å; L241-T244 VanDerWaalsContact O-OG1 3.06Å; L241-I245 HydrophobicContact CD1-CD1 3.97Å; L241-I245 HydrophobicContact CD1-CG1 4.31Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CB 3.35Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.38Å; L241-I245 PolarHBondContact O-N 3.03Å |
| 242 | K | 98.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 94.9 Ų | 94.9 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.3 | 173.7 | -169.3 | 174.7 | -164 | 0 | 112.8 | N238 E239 T240 Q246 | N238-K242 WeakPolarHBondContact O-CB 3.25Å; N238-K242 PolarHBondContact O-N 3.06Å; E239-K242 WeakPolarHBondContact O-CB 3.45Å; E239-K242 PolarHBondContact O-N 2.93Å; E239-K242 VanDerWaalsContact OE1-CD 3.25Å; E239-K242 WeakPolarHBondContact OE1-CD 3.45Å; E239-K242 IonicContact OE1-NZ 2.96Å; E239-K242 PolarHBondContact OE1-NZ 3.34Å; E239-K242 WeakPolarHBondContact OE2-CD 3.37Å; E239-K242 IonicContact OE2-NZ 2.82Å; E239-K242 PolarHBondContact OE2-NZ 3.13Å; T240-K242 VanDerWaalsContact C-N 3.3Å; K242-Q246 WeakPolarHBondContact O-CG 3.5Å; K242-Q246 PolarHBondContact O-N 3.31Å; K242-Q246 VanDerWaalsContact O-N 3.15Å |
| 243 | T | 97.7 | Very high | 97.7 | Very high | 61 Ų | 61 | 93.8 Ų | 93.8 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 174.3 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | E239 T240 I245 Q246 E247 | E239-T243 PolarHBondContact O-N 3.01Å; T240-T243 PolarHBondContact O-N 3.33Å; T240-T243 PolarHBondContact O-OG1 3.3Å; T240-T243 VanDerWaalsContact O-OG1 3.08Å; T243-I245 VanDerWaalsContact C-N 3.31Å; T243-I245 PolarHBondContact O-N 3Å; T243-Q246 WeakPolarHBondContact O-CA 3.48Å; T243-Q246 WeakPolarHBondContact O-CB 3.39Å; T243-Q246 PolarHBondContact O-N 2.97Å; T243-E247 WeakPolarHBondContact O-CG 3.48Å; T243-E247 PolarHBondContact O-N 3.19Å |
| 244 | T | 97.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 93.3 Ų | 93.3 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -32.5 | 178.7 | 51.2 | 0 | 0 | 0 | 0 | 113 | T240 L241 A248 | T240-T244 WeakPolarHBondContact O-CB 3.42Å; T240-T244 WeakPolarHBondContact O-CG2 3.34Å; T240-T244 PolarHBondContact O-N 2.9Å; T240-T244 PolarHBondContact O-OG1 2.99Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-OG1 3.16Å; L241-T244 VanDerWaalsContact O-OG1 3.06Å; T244-A248 VanDerWaalsContact O-CB 3.3Å; T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.49Å |
| 245 | I | 97.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 92.2 Ų | 92.2 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 169 | -73.9 | 166.4 | 0 | 0 | 0 | 111.4 | L241 T243 A248 E249 | L241-I245 HydrophobicContact CD1-CD1 3.97Å; L241-I245 HydrophobicContact CD1-CG1 4.31Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CB 3.35Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.38Å; L241-I245 PolarHBondContact O-N 3.03Å; T243-I245 VanDerWaalsContact C-N 3.31Å; T243-I245 PolarHBondContact O-N 3Å; I245-A248 PolarHBondContact O-N 3.11Å; I245-E249 PolarHBondContact O-N 2.78Å |
| 246 | Q | 97.9 | Very high | 97.7 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -39.1 | 177.8 | -71.7 | 174.9 | 8 | 0 | 0 | 112.2 | K242 T243 E249 G250 | K242-Q246 WeakPolarHBondContact O-CG 3.5Å; K242-Q246 PolarHBondContact O-N 3.31Å; K242-Q246 VanDerWaalsContact O-N 3.15Å; T243-Q246 WeakPolarHBondContact O-CA 3.48Å; T243-Q246 WeakPolarHBondContact O-CB 3.39Å; T243-Q246 PolarHBondContact O-N 2.97Å; Q246-E249 PolarHBondContact O-N 3.35Å; Q246-G250 PolarHBondContact O-N 3.46Å |
| 247 | E | 96.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 173 | -71.5 | 165.9 | -163.2 | 0 | 0 | 111.4 | T243 E249 G250 L251 | T243-E247 WeakPolarHBondContact O-CG 3.48Å; T243-E247 PolarHBondContact O-N 3.19Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 3.3Å; E247-G250 WeakPolarHBondContact O-CA 3.3Å; E247-G250 PolarHBondContact O-N 2.89Å; E247-L251 WeakPolarHBondContact O-CG 3.37Å; E247-L251 PolarHBondContact O-N 3.06Å |
| 248 | A | 97.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 96 Ų | 96 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T244 I245 K252 | T244-A248 VanDerWaalsContact O-CB 3.3Å; T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.49Å; I245-A248 PolarHBondContact O-N 3.11Å; A248-K252 VanDerWaalsContact O-CB 3.25Å; A248-K252 WeakPolarHBondContact O-CB 3.28Å; A248-K252 PolarHBondContact O-N 2.92Å |
| 249 | E | 97.9 | Very high | 97.7 | Very high | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 170 | -84.8 | -157.9 | -166.8 | 0 | 0 | 112.9 | I245 Q246 E247 K252 K253 | I245-E249 PolarHBondContact O-N 2.78Å; Q246-E249 PolarHBondContact O-N 3.35Å; E247-E249 VanDerWaalsContact C-N 3.32Å; E247-E249 PolarHBondContact O-N 3.3Å; E249-K252 PolarHBondContact O-N 3Å; E249-K253 VanDerWaalsContact O-CD 3.31Å; E249-K253 WeakPolarHBondContact O-CD 3.33Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.41Å; E249-K253 IonicContact OE2-NZ 2.98Å; E249-K253 PolarHBondContact OE2-NZ 3.12Å |
| 250 | G | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 97.1 Ų | 97.1 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q246 E247 K252 K253 L254 | Q246-G250 PolarHBondContact O-N 3.46Å; E247-G250 WeakPolarHBondContact O-CA 3.3Å; E247-G250 PolarHBondContact O-N 2.89Å; G250-K252 PolarHBondContact O-N 2.91Å; G250-K253 PolarHBondContact O-N 3.32Å; G250-L254 PolarHBondContact O-N 2.87Å |
| 251 | L | 97.6 | Very high | 97.6 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 174 | -70 | 171.7 | 0 | 0 | 0 | 111.5 | E247 K253 L254 T255 | E247-L251 WeakPolarHBondContact O-CG 3.37Å; E247-L251 PolarHBondContact O-N 3.06Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.37Å; L251-L254 PolarHBondContact O-N 3.46Å; L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 PolarHBondContact O-N 3.1Å; L251-T255 PolarHBondContact O-OG1 3.49Å |
| 252 | K | 97.8 | Very high | 97.6 | Very high | 163 Ų | 163 | 101.4 Ų | 101.4 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 176.5 | -176.6 | 178.7 | 179.6 | -179.3 | 0 | 112.5 | A248 E249 G250 H256 | A248-K252 VanDerWaalsContact O-CB 3.25Å; A248-K252 WeakPolarHBondContact O-CB 3.28Å; A248-K252 PolarHBondContact O-N 2.92Å; E249-K252 PolarHBondContact O-N 3Å; G250-K252 PolarHBondContact O-N 2.91Å; K252-H256 WeakPolarHBondContact O-CB 3.44Å; K252-H256 PolarHBondContact O-N 2.9Å; K252-H256 VanDerWaalsContact O-N 3.12Å |
| 253 | K | 98.1 | Very high | 97.6 | Very high | 128 Ų | 128 | 101.9 Ų | 101.9 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -44.8 | 175 | -69.4 | 157 | -167.1 | 162.9 | 0 | 110.9 | E249 G250 L251 H256 S257 | E249-K253 VanDerWaalsContact O-CD 3.31Å; E249-K253 WeakPolarHBondContact O-CD 3.33Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.41Å; E249-K253 IonicContact OE2-NZ 2.98Å; E249-K253 PolarHBondContact OE2-NZ 3.12Å; G250-K253 PolarHBondContact O-N 3.32Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.37Å; K253-H256 PolarHBondContact O-N 2.88Å; K253-S257 PolarHBondContact O-N 3.28Å |
| 254 | L | 97.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -49.7 | 176.8 | -177.5 | 63.7 | 0 | 0 | 0 | 112.1 | G250 L251 H256 S257 L258 | G250-L254 PolarHBondContact O-N 2.87Å; L251-L254 PolarHBondContact O-N 3.46Å; L254-H256 VanDerWaalsContact C-N 3.28Å; L254-H256 PolarHBondContact O-N 2.97Å; L254-S257 WeakPolarHBondContact O-CB 3.31Å; L254-S257 PolarHBondContact O-N 3.45Å; L254-S257 VanDerWaalsContact O-N 3.1Å; L254-L258 WeakPolarHBondContact O-CB 3.23Å; L254-L258 PolarHBondContact O-N 2.88Å |
| 255 | T | 97.2 | Very high | 97.6 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.8 | -38.6 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | L251 A259 | L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 PolarHBondContact O-N 3.1Å; L251-T255 PolarHBondContact O-OG1 3.49Å; T255-A259 VanDerWaalsContact O-CB 3.25Å; T255-A259 WeakPolarHBondContact O-CB 3.3Å; T255-A259 PolarHBondContact O-N 2.89Å |
| 256 | H | 97.4 | Very high | 97.6 | Very high | 143 Ų | 143 | 102.2 Ų | 102.2 | 66% | 0.662 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69 | -38.5 | 175.9 | -170 | 57.1 | 0 | 0 | 0 | 112.6 | K252 K253 L254 A259 K260 | K252-H256 WeakPolarHBondContact O-CB 3.44Å; K252-H256 PolarHBondContact O-N 2.9Å; K252-H256 VanDerWaalsContact O-N 3.12Å; K253-H256 PolarHBondContact O-N 2.88Å; L254-H256 VanDerWaalsContact C-N 3.28Å; L254-H256 PolarHBondContact O-N 2.97Å; H256-A259 PolarHBondContact O-N 3.27Å; H256-K260 PolarHBondContact O-N 2.91Å |
| 257 | S | 97.7 | Very high | 97.5 | Very high | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -49 | 173.8 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | K253 L254 A259 K260 E261 | K253-S257 PolarHBondContact O-N 3.28Å; L254-S257 WeakPolarHBondContact O-CB 3.31Å; L254-S257 PolarHBondContact O-N 3.45Å; L254-S257 VanDerWaalsContact O-N 3.1Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.43Å; S257-K260 WeakPolarHBondContact O-CB 3.41Å; S257-K260 PolarHBondContact O-N 3.42Å; S257-K260 VanDerWaalsContact O-N 3.1Å; S257-E261 PolarHBondContact O-N 2.96Å |
| 258 | L | 97.5 | Very high | 97.5 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 179.3 | -171.6 | 149.3 | 0 | 0 | 0 | 112 | L254 E261 K262 | L254-L258 WeakPolarHBondContact O-CB 3.23Å; L254-L258 PolarHBondContact O-N 2.88Å; L258-E261 PolarHBondContact O-N 3.48Å; L258-K262 VanDerWaalsContact O-CB 3.26Å; L258-K262 WeakPolarHBondContact O-CB 3.47Å; L258-K262 PolarHBondContact O-N 2.9Å |
| 259 | A | 97.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 103.2 Ų | 103.2 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T255 H256 S257 L263 | T255-A259 VanDerWaalsContact O-CB 3.25Å; T255-A259 WeakPolarHBondContact O-CB 3.3Å; T255-A259 PolarHBondContact O-N 2.89Å; H256-A259 PolarHBondContact O-N 3.27Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.43Å; A259-L263 WeakPolarHBondContact O-CG 3.43Å; A259-L263 PolarHBondContact O-N 3.46Å |
| 260 | K | 97.6 | Very high | 97.5 | Very high | 159 Ų | 159 | 102.5 Ų | 102.5 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 174.3 | -176.6 | -171 | 173.8 | -168 | 0 | 111.6 | H256 S257 L263 S264 | H256-K260 PolarHBondContact O-N 2.91Å; S257-K260 WeakPolarHBondContact O-CB 3.41Å; S257-K260 PolarHBondContact O-N 3.42Å; S257-K260 VanDerWaalsContact O-N 3.1Å; K260-L263 PolarHBondContact O-N 3.24Å; K260-S264 PolarHBondContact O-N 3.27Å |
| 261 | E | 97.5 | Very high | 97.5 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 176.2 | -173.9 | 175.9 | -175.7 | 0 | 0 | 111.5 | S257 L258 L263 S264 V265 | S257-E261 PolarHBondContact O-N 2.96Å; L258-E261 PolarHBondContact O-N 3.48Å; E261-L263 PolarHBondContact O-N 2.89Å; E261-S264 WeakPolarHBondContact O-CA 3.43Å; E261-S264 WeakPolarHBondContact O-CB 3.24Å; E261-S264 PolarHBondContact O-N 3.35Å; E261-V265 WeakPolarHBondContact O-CG2 3.34Å; E261-V265 PolarHBondContact O-N 3.43Å |
| 262 | K | 97.7 | Very high | 97.4 | Very high | 139 Ų | 139 | 106.9 Ų | 106.9 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -55.6 | -34.9 | 173.5 | -176.3 | 176.1 | -179.1 | 177.2 | 0 | 112.7 | L258 M266 | L258-K262 VanDerWaalsContact O-CB 3.26Å; L258-K262 WeakPolarHBondContact O-CB 3.47Å; L258-K262 PolarHBondContact O-N 2.9Å; K262-M266 VanDerWaalsContact O-CB 3.25Å; K262-M266 WeakPolarHBondContact O-CB 3.46Å; K262-M266 PolarHBondContact O-N 3.39Å |
| 263 | L | 97.3 | Very high | 97.4 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -36.2 | 174.1 | -72.5 | 169 | 0 | 0 | 0 | 112.7 | A259 K260 E261 L267 | A259-L263 WeakPolarHBondContact O-CG 3.43Å; A259-L263 PolarHBondContact O-N 3.46Å; K260-L263 PolarHBondContact O-N 3.24Å; E261-L263 PolarHBondContact O-N 2.89Å; L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.1Å |
| 264 | S | 97.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 99.3 Ų | 99.3 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -53 | 173.2 | -156.2 | 0 | 0 | 0 | 0 | 110.9 | K260 E261 M266 L267 E268 | K260-S264 PolarHBondContact O-N 3.27Å; E261-S264 WeakPolarHBondContact O-CA 3.43Å; E261-S264 WeakPolarHBondContact O-CB 3.24Å; E261-S264 PolarHBondContact O-N 3.35Å; S264-M266 PolarHBondContact O-N 3.45Å; S264-L267 PolarHBondContact O-N 3.47Å; S264-E268 WeakPolarHBondContact CB-OE1 3.3Å; S264-E268 WeakPolarHBondContact O-CG 3.16Å; S264-E268 PolarHBondContact O-N 3.19Å; S264-E268 PolarHBondContact OG-OE1 2.99Å |
| 265 | V | 97.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 97.5 Ų | 97.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -34.5 | 179 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | E261 K269 | E261-V265 WeakPolarHBondContact O-CG2 3.34Å; E261-V265 PolarHBondContact O-N 3.43Å; V265-K269 WeakPolarHBondContact O-CB 3.39Å; V265-K269 PolarHBondContact O-N 2.86Å |
| 266 | M | 97.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 97.2 Ų | 97.2 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 173.3 | -173.7 | 179.1 | -62.4 | 0 | 0 | 112.2 | K262 S264 K269 D270 | K262-M266 VanDerWaalsContact O-CB 3.25Å; K262-M266 WeakPolarHBondContact O-CB 3.46Å; K262-M266 PolarHBondContact O-N 3.39Å; S264-M266 PolarHBondContact O-N 3.45Å; M266-K269 PolarHBondContact O-N 2.85Å; M266-D270 WeakPolarHBondContact O-CB 3.33Å; M266-D270 VanDerWaalsContact O-CG 3.31Å; M266-D270 PolarHBondContact O-N 3.33Å |
| 267 | L | 97.3 | Very high | 97.2 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 176.5 | -70.3 | 167.6 | 0 | 0 | 0 | 112 | L263 S264 D270 M271 | L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.1Å; S264-L267 PolarHBondContact O-N 3.47Å; L267-D270 PolarHBondContact O-N 3.21Å; L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 3.41Å |
| 268 | E | 96.7 | Very high | 97.2 | Very high | 89 Ų | 89 | 99.8 Ų | 99.8 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | -71.1 | 160.7 | -131 | 0 | 0 | 111.3 | S264 M271 L272 | S264-E268 WeakPolarHBondContact CB-OE1 3.3Å; S264-E268 WeakPolarHBondContact O-CG 3.16Å; S264-E268 PolarHBondContact O-N 3.19Å; S264-E268 PolarHBondContact OG-OE1 2.99Å; E268-M271 PolarHBondContact O-N 3.1Å; E268-L272 WeakPolarHBondContact O-CB 3.38Å; E268-L272 VanDerWaalsContact O-CG 3.28Å; E268-L272 WeakPolarHBondContact O-CG 3.49Å; E268-L272 PolarHBondContact O-N 2.83Å |
| 269 | K | 97.7 | Very high | 97.1 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 173.5 | -174 | -129.9 | 164.2 | -141.7 | 0 | 111.6 | V265 M266 M271 L272 E273 | V265-K269 WeakPolarHBondContact O-CB 3.39Å; V265-K269 PolarHBondContact O-N 2.86Å; M266-K269 PolarHBondContact O-N 2.85Å; K269-M271 VanDerWaalsContact C-N 3.35Å; K269-M271 PolarHBondContact O-N 3.02Å; K269-L272 PolarHBondContact O-N 2.86Å; K269-E273 WeakPolarHBondContact CE-OE2 3.42Å; K269-E273 IonicContact NZ-OE2 2.67Å; K269-E273 PolarHBondContact NZ-OE2 2.84Å; K269-E273 WeakPolarHBondContact O-CB 3.41Å; K269-E273 PolarHBondContact O-N 3.24Å |
| 270 | D | 97.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 100.1 Ų | 100.1 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | -179.9 | -72.1 | -6.4 | 0 | 0 | 0 | 111.8 | M266 L267 A274 | M266-D270 WeakPolarHBondContact O-CB 3.33Å; M266-D270 VanDerWaalsContact O-CG 3.31Å; M266-D270 PolarHBondContact O-N 3.33Å; L267-D270 PolarHBondContact O-N 3.21Å; D270-A274 WeakPolarHBondContact O-CB 3.18Å; D270-A274 PolarHBondContact O-N 2.96Å |
| 271 | M | 96.9 | Very high | 97 | Very high | 126 Ų | 126 | 94.9 Ų | 94.9 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 170.8 | -74.2 | -161.9 | -55.3 | 0 | 0 | 112.3 | L267 E268 K269 A274 T275 | L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 3.41Å; E268-M271 PolarHBondContact O-N 3.1Å; K269-M271 VanDerWaalsContact C-N 3.35Å; K269-M271 PolarHBondContact O-N 3.02Å; M271-A274 WeakPolarHBondContact O-CB 3.38Å; M271-A274 PolarHBondContact O-N 3.38Å; M271-T275 PolarHBondContact O-N 3.4Å; M271-T275 PolarHBondContact O-OG1 3.48Å |
| 272 | L | 96.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 94.1 Ų | 94.1 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 179.2 | -75.7 | 169.4 | 0 | 0 | 0 | 111.2 | E268 K269 A274 T275 V276 | E268-L272 WeakPolarHBondContact O-CB 3.38Å; E268-L272 VanDerWaalsContact O-CG 3.28Å; E268-L272 WeakPolarHBondContact O-CG 3.49Å; E268-L272 PolarHBondContact O-N 2.83Å; K269-L272 PolarHBondContact O-N 2.86Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 2.96Å; L272-T275 WeakPolarHBondContact CA-OG1 3.43Å; L272-T275 PolarHBondContact O-N 3.49Å; L272-T275 VanDerWaalsContact O-N 3.11Å; L272-T275 PolarHBondContact O-OG1 2.97Å; L272-V276 WeakPolarHBondContact O-CG2 3.49Å; L272-V276 PolarHBondContact O-N 2.93Å |
| 273 | E | 97.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 93.2 Ų | 93.2 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.3 | -160.2 | -174.4 | 119.2 | 0 | 0 | 111.4 | K269 V276 K277 | K269-E273 WeakPolarHBondContact CE-OE2 3.42Å; K269-E273 IonicContact NZ-OE2 2.67Å; K269-E273 PolarHBondContact NZ-OE2 2.84Å; K269-E273 WeakPolarHBondContact O-CB 3.41Å; K269-E273 PolarHBondContact O-N 3.24Å; E273-V276 PolarHBondContact O-N 2.95Å; E273-K277 HydrophobicContact CG-CD 4.4Å; E273-K277 WeakPolarHBondContact O-CB 3.42Å; E273-K277 VanDerWaalsContact O-CG 3.29Å; E273-K277 WeakPolarHBondContact O-CG 3.24Å; E273-K277 PolarHBondContact O-N 3.01Å; E273-K277 WeakPolarHBondContact OE1-CE 3.44Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 2.97Å |
| 274 | A | 96.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 92.3 Ų | 92.3 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D270 M271 L272 K278 | D270-A274 WeakPolarHBondContact O-CB 3.18Å; D270-A274 PolarHBondContact O-N 2.96Å; M271-A274 WeakPolarHBondContact O-CB 3.38Å; M271-A274 PolarHBondContact O-N 3.38Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 2.96Å; A274-K278 WeakPolarHBondContact O-CB 3.48Å; A274-K278 PolarHBondContact O-N 2.98Å |
| 275 | T | 96.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 93.3 Ų | 93.3 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 174 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | M271 L272 K278 D279 | M271-T275 PolarHBondContact O-N 3.4Å; M271-T275 PolarHBondContact O-OG1 3.48Å; L272-T275 WeakPolarHBondContact CA-OG1 3.43Å; L272-T275 PolarHBondContact O-N 3.49Å; L272-T275 VanDerWaalsContact O-N 3.11Å; L272-T275 PolarHBondContact O-OG1 2.97Å; T275-K278 WeakPolarHBondContact O-CB 3.43Å; T275-K278 PolarHBondContact O-N 3.45Å; T275-D279 WeakPolarHBondContact O-CB 3.39Å; T275-D279 PolarHBondContact O-N 2.9Å |
| 276 | V | 96.9 | Very high | 96.6 | Very high | 90 Ų | 90 | 96.7 Ų | 96.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 110 | L272 E273 K278 D279 T280 | L272-V276 WeakPolarHBondContact O-CG2 3.49Å; L272-V276 PolarHBondContact O-N 2.93Å; E273-V276 PolarHBondContact O-N 2.95Å; V276-K278 VanDerWaalsContact C-N 3.29Å; V276-K278 PolarHBondContact O-N 2.87Å; V276-D279 PolarHBondContact O-N 2.81Å; V276-T280 PolarHBondContact O-N 3.33Å; V276-T280 PolarHBondContact O-OG1 3.36Å; V276-T280 VanDerWaalsContact O-OG1 3.09Å |
| 277 | K | 96.8 | Very high | 96.6 | Very high | 130 Ų | 130 | 98.3 Ų | 98.3 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -55.7 | -42.4 | 175.9 | -76.3 | 167.3 | 172 | 170.7 | 0 | 112.5 | E273 D279 A281 | E273-K277 HydrophobicContact CG-CD 4.4Å; E273-K277 WeakPolarHBondContact O-CB 3.42Å; E273-K277 VanDerWaalsContact O-CG 3.29Å; E273-K277 WeakPolarHBondContact O-CG 3.24Å; E273-K277 PolarHBondContact O-N 3.01Å; E273-K277 WeakPolarHBondContact OE1-CE 3.44Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 2.97Å; K277-D279 VanDerWaalsContact C-N 3.35Å; K277-A281 WeakPolarHBondContact O-CB 3.29Å; K277-A281 PolarHBondContact O-N 2.9Å; K277-A281 VanDerWaalsContact O-N 3.14Å |
| 278 | K | 96.4 | Very high | 96.5 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 175.5 | -178 | 178.3 | -176.4 | 175.7 | 0 | 112.3 | A274 T275 V276 K282 | A274-K278 WeakPolarHBondContact O-CB 3.48Å; A274-K278 PolarHBondContact O-N 2.98Å; T275-K278 WeakPolarHBondContact O-CB 3.43Å; T275-K278 PolarHBondContact O-N 3.45Å; V276-K278 VanDerWaalsContact C-N 3.29Å; V276-K278 PolarHBondContact O-N 2.87Å; K278-K282 WeakPolarHBondContact O-CG 3.45Å; K278-K282 PolarHBondContact O-N 3.22Å; K278-K282 VanDerWaalsContact O-N 3.11Å |
| 279 | D | 96 | Very high | 96.5 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -84.1 | -31.8 | -175.4 | -74.1 | 5.4 | 0 | 0 | 0 | 112.8 | T275 V276 K277 K282 M283 | T275-D279 WeakPolarHBondContact O-CB 3.39Å; T275-D279 PolarHBondContact O-N 2.9Å; V276-D279 PolarHBondContact O-N 2.81Å; K277-D279 VanDerWaalsContact C-N 3.35Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.49Å; D279-K282 WeakPolarHBondContact OD1-CD 3.25Å; D279-K282 WeakPolarHBondContact OD1-CE 3.45Å; D279-K282 IonicContact OD1-NZ 2.75Å; D279-K282 PolarHBondContact OD1-NZ 2.96Å; D279-K282 IonicContact OD2-NZ 3.72Å; D279-M283 VanDerWaalsContact O-CB 3.29Å; D279-M283 WeakPolarHBondContact O-CB 3.38Å; D279-M283 PolarHBondContact O-N 3.32Å |
| 280 | T | 96.5 | Very high | 96.4 | Very high | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 163.7 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | V276 K282 M283 E284 | V276-T280 PolarHBondContact O-N 3.33Å; V276-T280 PolarHBondContact O-OG1 3.36Å; V276-T280 VanDerWaalsContact O-OG1 3.09Å; T280-K282 VanDerWaalsContact C-N 3.34Å; T280-K282 PolarHBondContact O-N 3.47Å; T280-M283 WeakPolarHBondContact O-CA 3.22Å; T280-M283 WeakPolarHBondContact O-CB 3.39Å; T280-M283 PolarHBondContact O-N 2.89Å; T280-E284 PolarHBondContact O-N 2.95Å |
| 281 | A | 96.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | K277 M283 V285 | K277-A281 WeakPolarHBondContact O-CB 3.29Å; K277-A281 PolarHBondContact O-N 2.9Å; K277-A281 VanDerWaalsContact O-N 3.14Å; A281-M283 VanDerWaalsContact C-N 3.31Å; A281-V285 VanDerWaalsContact O-CG2 3.31Å; A281-V285 WeakPolarHBondContact O-CG2 3.4Å; A281-V285 PolarHBondContact O-N 3.02Å |
| 282 | K | 95.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 169.7 | -70.2 | 172.4 | -169.2 | 164.4 | 0 | 112 | K278 D279 T280 V285 K286 | K278-K282 WeakPolarHBondContact O-CG 3.45Å; K278-K282 PolarHBondContact O-N 3.22Å; K278-K282 VanDerWaalsContact O-N 3.11Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.49Å; D279-K282 WeakPolarHBondContact OD1-CD 3.25Å; D279-K282 WeakPolarHBondContact OD1-CE 3.45Å; D279-K282 IonicContact OD1-NZ 2.75Å; D279-K282 PolarHBondContact OD1-NZ 2.96Å; D279-K282 IonicContact OD2-NZ 3.72Å; T280-K282 VanDerWaalsContact C-N 3.34Å; T280-K282 PolarHBondContact O-N 3.47Å; K282-V285 PolarHBondContact O-N 3.2Å; K282-K286 WeakPolarHBondContact O-CG 3.17Å; K282-K286 PolarHBondContact O-N 2.93Å |
| 283 | M | 96.1 | Very high | 96.3 | Very high | 121 Ų | 121 | 97.2 Ų | 97.2 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.5 | -47.1 | -176.3 | -162.5 | -84.9 | -129.5 | 0 | 0 | 110.3 | D279 T280 A281 V285 K286 E287 | D279-M283 VanDerWaalsContact O-CB 3.29Å; D279-M283 WeakPolarHBondContact O-CB 3.38Å; D279-M283 PolarHBondContact O-N 3.32Å; T280-M283 WeakPolarHBondContact O-CA 3.22Å; T280-M283 WeakPolarHBondContact O-CB 3.39Å; T280-M283 PolarHBondContact O-N 2.89Å; A281-M283 VanDerWaalsContact C-N 3.31Å; M283-V285 VanDerWaalsContact C-N 3.3Å; M283-V285 PolarHBondContact O-N 2.92Å; M283-K286 CarbonylContact O-C 3.54Å; M283-K286 WeakPolarHBondContact O-CA 3.48Å; M283-K286 WeakPolarHBondContact O-CB 3.31Å; M283-K286 PolarHBondContact O-N 2.7Å; M283-E287 WeakPolarHBondContact O-CB 3.47Å; M283-E287 PolarHBondContact O-N 2.92Å |
| 284 | E | 96.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 99.5 Ų | 99.5 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55 | -42.4 | 170.1 | -70.4 | -179.7 | -141 | 0 | 0 | 113 | T280 K286 E287 K288 | T280-E284 PolarHBondContact O-N 2.95Å; E284-K286 VanDerWaalsContact C-N 3.32Å; E284-E287 PolarHBondContact O-N 3.42Å; E284-K288 WeakPolarHBondContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CD 3.49Å; E284-K288 VanDerWaalsContact O-CG 3.28Å; E284-K288 WeakPolarHBondContact O-CG 3.34Å; E284-K288 PolarHBondContact O-N 2.88Å; E284-K288 IonicContact OE2-NZ 2.7Å; E284-K288 PolarHBondContact OE2-NZ 3.38Å |
| 285 | V | 96.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 99.8 Ų | 99.8 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 178.5 | 169 | 0 | 0 | 0 | 0 | 111.6 | A281 K282 M283 K289 | A281-V285 VanDerWaalsContact O-CG2 3.31Å; A281-V285 WeakPolarHBondContact O-CG2 3.4Å; A281-V285 PolarHBondContact O-N 3.02Å; K282-V285 PolarHBondContact O-N 3.2Å; M283-V285 VanDerWaalsContact C-N 3.3Å; M283-V285 PolarHBondContact O-N 2.92Å; V285-K289 VanDerWaalsContact O-CG 3.32Å; V285-K289 WeakPolarHBondContact O-CG 3.47Å; V285-K289 PolarHBondContact O-N 3.14Å |
| 286 | K | 95.4 | Very high | 96.1 | Very high | 153 Ų | 153 | 101.6 Ų | 101.6 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.4 | -41.8 | 170.8 | -75.5 | 177.4 | 176.3 | -175 | 0 | 111.6 | K282 M283 E284 K289 L290 | K282-K286 WeakPolarHBondContact O-CG 3.17Å; K282-K286 PolarHBondContact O-N 2.93Å; M283-K286 CarbonylContact O-C 3.54Å; M283-K286 WeakPolarHBondContact O-CA 3.48Å; M283-K286 WeakPolarHBondContact O-CB 3.31Å; M283-K286 PolarHBondContact O-N 2.7Å; E284-K286 VanDerWaalsContact C-N 3.32Å; K286-K289 CarbonylContact O-C 3.59Å; K286-K289 PolarHBondContact O-N 3.45Å; K286-L290 WeakPolarHBondContact O-CB 3.34Å; K286-L290 PolarHBondContact O-N 2.9Å |
| 287 | E | 96.6 | Very high | 96 | Very high | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | -179.7 | -172.8 | 171.7 | -151.4 | 0 | 0 | 111.6 | M283 E284 K289 L290 S291 | M283-E287 WeakPolarHBondContact O-CB 3.47Å; M283-E287 PolarHBondContact O-N 2.92Å; E284-E287 PolarHBondContact O-N 3.42Å; E287-K289 VanDerWaalsContact C-N 3.32Å; E287-K289 PolarHBondContact O-N 3.07Å; E287-L290 PolarHBondContact O-N 3.37Å; E287-L290 VanDerWaalsContact O-N 3.1Å; E287-S291 PolarHBondContact O-N 2.92Å; E287-S291 PolarHBondContact O-OG 2.84Å |
| 288 | K | 96.2 | Very high | 95.9 | Very high | 116 Ų | 116 | 95.1 Ų | 95.1 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 171.7 | -71.6 | 159.7 | -175.4 | 157.7 | 0 | 112.1 | E284 S291 E292 | E284-K288 WeakPolarHBondContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CD 3.49Å; E284-K288 VanDerWaalsContact O-CG 3.28Å; E284-K288 WeakPolarHBondContact O-CG 3.34Å; E284-K288 PolarHBondContact O-N 2.88Å; E284-K288 IonicContact OE2-NZ 2.7Å; E284-K288 PolarHBondContact OE2-NZ 3.38Å; K288-S291 PolarHBondContact O-OG 3.4Å; K288-S291 VanDerWaalsContact O-OG 3.08Å; K288-E292 WeakPolarHBondContact O-CG 3.23Å; K288-E292 PolarHBondContact O-N 2.78Å; K288-E292 VanDerWaalsContact O-N 3.07Å |
| 289 | K | 96.3 | Very high | 95.9 | Very high | 130 Ų | 130 | 91.9 Ų | 91.9 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 173.8 | -74.4 | 178.1 | 179.2 | -172.1 | 0 | 113.1 | V285 K286 E287 V293 | V285-K289 VanDerWaalsContact O-CG 3.32Å; V285-K289 WeakPolarHBondContact O-CG 3.47Å; V285-K289 PolarHBondContact O-N 3.14Å; K286-K289 CarbonylContact O-C 3.59Å; K286-K289 PolarHBondContact O-N 3.45Å; E287-K289 VanDerWaalsContact C-N 3.32Å; E287-K289 PolarHBondContact O-N 3.07Å; K289-V293 WeakPolarHBondContact O-CB 3.36Å; K289-V293 VanDerWaalsContact O-CG2 3.27Å; K289-V293 WeakPolarHBondContact O-CG2 3.44Å; K289-V293 PolarHBondContact O-N 3.46Å |
| 290 | L | 95.7 | Very high | 95.8 | Very high | 107 Ų | 107 | 93.4 Ų | 93.4 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.3 | -41.4 | 179 | -173 | 146.8 | 0 | 0 | 0 | 110.7 | K286 E287 V293 M294 | K286-L290 WeakPolarHBondContact O-CB 3.34Å; K286-L290 PolarHBondContact O-N 2.9Å; E287-L290 PolarHBondContact O-N 3.37Å; E287-L290 VanDerWaalsContact O-N 3.1Å; L290-V293 PolarHBondContact O-N 3.21Å; L290-M294 HydrophobicContact CD2-CG 4.19Å; L290-M294 HydrophobicContact CD2-SD 3.52Å; L290-M294 VanDerWaalsContact CD2-SD 3.52Å; L290-M294 WeakPolarHBondContact O-CG 3.45Å; L290-M294 PolarHBondContact O-N 3.15Å |
| 291 | S | 95.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 96.1 Ų | 96.1 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | E287 K288 V293 M294 A295 | E287-S291 PolarHBondContact O-N 2.92Å; E287-S291 PolarHBondContact O-OG 2.84Å; K288-S291 PolarHBondContact O-OG 3.4Å; K288-S291 VanDerWaalsContact O-OG 3.08Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.47Å; S291-M294 PolarHBondContact O-N 3.2Å; S291-A295 WeakPolarHBondContact O-CB 3.38Å; S291-A295 PolarHBondContact O-N 3.24Å |
| 292 | E | 96.2 | Very high | 95.8 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 167.6 | -86.6 | -172 | -127.2 | 0 | 0 | 112.8 | K288 K296 | K288-E292 WeakPolarHBondContact O-CG 3.23Å; K288-E292 PolarHBondContact O-N 2.78Å; K288-E292 VanDerWaalsContact O-N 3.07Å; E292-K296 WeakPolarHBondContact O-CB 3.41Å; E292-K296 WeakPolarHBondContact O-CD 3.41Å; E292-K296 VanDerWaalsContact O-CG 3.26Å; E292-K296 WeakPolarHBondContact O-CG 3.35Å; E292-K296 PolarHBondContact O-N 2.92Å; E292-K296 IonicContact OE2-NZ 3.82Å; E292-K296 PolarHBondContact OE2-NZ 2.87Å |
| 293 | V | 95.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -39.7 | -179.9 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | K289 L290 S291 K296 A297 | K289-V293 WeakPolarHBondContact O-CB 3.36Å; K289-V293 VanDerWaalsContact O-CG2 3.27Å; K289-V293 WeakPolarHBondContact O-CG2 3.44Å; K289-V293 PolarHBondContact O-N 3.46Å; L290-V293 PolarHBondContact O-N 3.21Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.47Å; V293-K296 PolarHBondContact O-N 2.84Å; V293-A297 WeakPolarHBondContact O-CB 3.11Å; V293-A297 PolarHBondContact O-N 2.95Å |
| 294 | M | 95.3 | Very high | 95.6 | Very high | 121 Ų | 121 | 96.5 Ų | 96.5 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 173 | -75 | 178.7 | 66.1 | 0 | 0 | 112 | L290 S291 K296 A297 A298 | L290-M294 HydrophobicContact CD2-CG 4.19Å; L290-M294 HydrophobicContact CD2-SD 3.52Å; L290-M294 VanDerWaalsContact CD2-SD 3.52Å; L290-M294 WeakPolarHBondContact O-CG 3.45Å; L290-M294 PolarHBondContact O-N 3.15Å; S291-M294 PolarHBondContact O-N 3.2Å; M294-K296 VanDerWaalsContact C-N 3.34Å; M294-K296 PolarHBondContact O-N 3.49Å; M294-A297 PolarHBondContact O-N 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.39Å; M294-A298 PolarHBondContact O-N 3.43Å |
| 295 | A | 95.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 95.3 Ų | 95.3 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S291 S299 | S291-A295 WeakPolarHBondContact O-CB 3.38Å; S291-A295 PolarHBondContact O-N 3.24Å; A295-S299 WeakPolarHBondContact O-CB 3.41Å; A295-S299 PolarHBondContact O-N 3.14Å |
| 296 | K | 95.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 95.4 Ų | 95.4 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -45 | 173.5 | -72.4 | 161 | -171.7 | 158 | 0 | 111.4 | E292 V293 M294 S299 L300 | E292-K296 WeakPolarHBondContact O-CB 3.41Å; E292-K296 WeakPolarHBondContact O-CD 3.41Å; E292-K296 VanDerWaalsContact O-CG 3.26Å; E292-K296 WeakPolarHBondContact O-CG 3.35Å; E292-K296 PolarHBondContact O-N 2.92Å; E292-K296 IonicContact OE2-NZ 3.82Å; E292-K296 PolarHBondContact OE2-NZ 2.87Å; V293-K296 PolarHBondContact O-N 2.84Å; M294-K296 VanDerWaalsContact C-N 3.34Å; M294-K296 PolarHBondContact O-N 3.49Å; K296-S299 PolarHBondContact O-N 2.98Å; K296-S299 PolarHBondContact O-OG 2.99Å; K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 2.99Å |
| 297 | A | 95.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 93.2 Ų | 93.2 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V293 M294 S299 L300 E301 | V293-A297 WeakPolarHBondContact O-CB 3.11Å; V293-A297 PolarHBondContact O-N 2.95Å; M294-A297 PolarHBondContact O-N 3.28Å; A297-S299 VanDerWaalsContact C-N 3.27Å; A297-S299 PolarHBondContact O-N 2.96Å; A297-L300 PolarHBondContact O-N 2.88Å; A297-E301 WeakPolarHBondContact O-CG 3.37Å; A297-E301 PolarHBondContact O-N 3.34Å |
| 298 | A | 95.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 90.5 Ų | 90.5 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | M294 L302 | M294-A298 WeakPolarHBondContact O-CB 3.39Å; M294-A298 PolarHBondContact O-N 3.43Å; A298-L302 WeakPolarHBondContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.2Å; A298-L302 PolarHBondContact O-N 3Å |
| 299 | S | 95.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 89.5 Ų | 89.5 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 175.1 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | A295 K296 A297 A303 | A295-S299 WeakPolarHBondContact O-CB 3.41Å; A295-S299 PolarHBondContact O-N 3.14Å; K296-S299 PolarHBondContact O-N 2.98Å; K296-S299 PolarHBondContact O-OG 2.99Å; A297-S299 VanDerWaalsContact C-N 3.27Å; A297-S299 PolarHBondContact O-N 2.96Å; S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.15Å; S299-A303 VanDerWaalsContact O-N 3.07Å |
| 300 | L | 95.3 | Very high | 95 | Very high | 112 Ų | 112 | 88.2 Ų | 88.2 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.8 | -38.4 | 175.8 | -69.6 | 170.3 | 0 | 0 | 0 | 111.5 | K296 A297 A303 L304 | K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 2.99Å; A297-L300 PolarHBondContact O-N 2.88Å; L300-A303 PolarHBondContact O-N 3.02Å; L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 2.87Å |
| 301 | E | 95.3 | Very high | 94.7 | Very high | 131 Ų | 131 | 86.7 Ų | 86.7 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 173.1 | -72.3 | 169.4 | 174.8 | 0 | 0 | 111.3 | A297 L304 A305 | A297-E301 WeakPolarHBondContact O-CG 3.37Å; A297-E301 PolarHBondContact O-N 3.34Å; E301-L304 PolarHBondContact O-N 3.35Å; E301-A305 WeakPolarHBondContact O-CB 3.47Å; E301-A305 PolarHBondContact O-N 3.13Å |
| 302 | L | 95.6 | Very high | 94.6 | Very high | 129 Ų | 129 | 89.3 Ų | 89.3 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 172.7 | -76.5 | 168.4 | 0 | 0 | 0 | 112.3 | A298 A305 E306 | A298-L302 WeakPolarHBondContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.2Å; A298-L302 PolarHBondContact O-N 3Å; L302-A305 PolarHBondContact O-N 3.18Å; L302-E306 PolarHBondContact O-N 2.87Å |
| 303 | A | 94.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 89 Ų | 89 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S299 L300 E306 I307 | S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.15Å; S299-A303 VanDerWaalsContact O-N 3.07Å; L300-A303 PolarHBondContact O-N 3.02Å; A303-E306 PolarHBondContact O-N 3.06Å; A303-I307 VanDerWaalsContact O-CG1 3.26Å; A303-I307 WeakPolarHBondContact O-CG1 3.41Å; A303-I307 PolarHBondContact O-N 2.95Å |
| 304 | L | 94.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 88.5 Ų | 88.5 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 175.6 | -73.7 | 169.7 | 0 | 0 | 0 | 111.5 | L300 E301 E306 I307 S308 | L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 2.87Å; E301-L304 PolarHBondContact O-N 3.35Å; L304-E306 VanDerWaalsContact C-N 3.28Å; L304-E306 PolarHBondContact O-N 3.02Å; L304-I307 PolarHBondContact O-N 3.49Å; L304-S308 PolarHBondContact O-N 3.49Å; L304-S308 PolarHBondContact O-OG 2.95Å |
| 305 | A | 94.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 87.4 Ų | 87.4 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E301 L302 R309 | E301-A305 WeakPolarHBondContact O-CB 3.47Å; E301-A305 PolarHBondContact O-N 3.13Å; L302-A305 PolarHBondContact O-N 3.18Å; A305-R309 VanDerWaalsContact O-CB 3.3Å; A305-R309 WeakPolarHBondContact O-CB 3.44Å; A305-R309 PolarHBondContact O-N 3.08Å |
| 306 | E | 94.5 | Very high | 93.5 | Very high | 80 Ų | 80 | 88.8 Ų | 88.8 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -32.5 | 176.8 | -138.4 | -133.9 | 149.6 | 0 | 0 | 113.2 | L302 A303 L304 R309 K310 | L302-E306 PolarHBondContact O-N 2.87Å; A303-E306 PolarHBondContact O-N 3.06Å; L304-E306 VanDerWaalsContact C-N 3.28Å; L304-E306 PolarHBondContact O-N 3.02Å; E306-R309 IonicContact OE1-CZ 2.71Å; E306-R309 IonicContact OE1-NH2 2.62Å; E306-R309 PolarHBondContact OE1-NH2 3.37Å; E306-K310 VanDerWaalsContact CD-CE 3.48Å; E306-K310 WeakPolarHBondContact O-CB 3.49Å; E306-K310 WeakPolarHBondContact O-CD 3.43Å; E306-K310 VanDerWaalsContact O-CG 3.22Å; E306-K310 WeakPolarHBondContact O-CG 3.37Å; E306-K310 PolarHBondContact O-N 2.88Å; E306-K310 WeakPolarHBondContact OE1-CE 3.43Å; E306-K310 IonicContact OE1-NZ 3.44Å; E306-K310 PolarHBondContact OE1-NZ 3.02Å; E306-K310 IonicContact OE2-NZ 3.95Å; E306-K310 PolarHBondContact OE2-NZ 3.39Å |
| 307 | I | 93.8 | Very high | 93.2 | Very high | 106 Ų | 106 | 88.7 Ų | 88.7 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | 172.3 | -71.9 | 163.7 | 0 | 0 | 0 | 110.4 | A303 L304 R309 K310 S311 | A303-I307 VanDerWaalsContact O-CG1 3.26Å; A303-I307 WeakPolarHBondContact O-CG1 3.41Å; A303-I307 PolarHBondContact O-N 2.95Å; L304-I307 PolarHBondContact O-N 3.49Å; I307-R309 PolarHBondContact O-N 3Å; I307-K310 WeakPolarHBondContact O-CB 3.49Å; I307-K310 PolarHBondContact O-N 2.69Å; I307-S311 PolarHBondContact O-N 3.3Å |
| 308 | S | 93.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 91.8 Ų | 91.8 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | L304 K310 S311 E312 | L304-S308 PolarHBondContact O-N 3.49Å; L304-S308 PolarHBondContact O-OG 2.95Å; S308-K310 VanDerWaalsContact C-N 3.28Å; S308-K310 PolarHBondContact O-N 2.93Å; S308-S311 CarbonylContact O-C 3.6Å; S308-S311 WeakPolarHBondContact O-CA 3.49Å; S308-S311 WeakPolarHBondContact O-CB 3.4Å; S308-S311 PolarHBondContact O-N 3.32Å; S308-E312 WeakPolarHBondContact O-CG 3.5Å; S308-E312 PolarHBondContact O-N 3.44Å |
| 309 | R | 94.3 | Very high | 92.7 | Very high | 94 Ų | 94 | 95.2 Ų | 95.2 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 175.7 | -170.8 | -165.4 | 65 | 68.8 | -1.4 | 112.8 | A305 E306 I307 Q313 | A305-R309 VanDerWaalsContact O-CB 3.3Å; A305-R309 WeakPolarHBondContact O-CB 3.44Å; A305-R309 PolarHBondContact O-N 3.08Å; E306-R309 IonicContact OE1-CZ 2.71Å; E306-R309 IonicContact OE1-NH2 2.62Å; E306-R309 PolarHBondContact OE1-NH2 3.37Å; I307-R309 PolarHBondContact O-N 3Å; R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 VanDerWaalsContact O-CG 3.3Å; R309-Q313 WeakPolarHBondContact O-CG 3.43Å; R309-Q313 PolarHBondContact O-N 3.31Å; R309-Q313 VanDerWaalsContact O-N 3.13Å |
| 310 | K | 92.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 99.1 Ų | 99.1 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 174.4 | -78.9 | 164 | 174.4 | 159.3 | 0 | 111.8 | E306 I307 S308 Q314 | E306-K310 VanDerWaalsContact CD-CE 3.48Å; E306-K310 WeakPolarHBondContact O-CB 3.49Å; E306-K310 WeakPolarHBondContact O-CD 3.43Å; E306-K310 VanDerWaalsContact O-CG 3.22Å; E306-K310 WeakPolarHBondContact O-CG 3.37Å; E306-K310 PolarHBondContact O-N 2.88Å; E306-K310 WeakPolarHBondContact OE1-CE 3.43Å; E306-K310 IonicContact OE1-NZ 3.44Å; E306-K310 PolarHBondContact OE1-NZ 3.02Å; E306-K310 IonicContact OE2-NZ 3.95Å; E306-K310 PolarHBondContact OE2-NZ 3.39Å; I307-K310 WeakPolarHBondContact O-CB 3.49Å; I307-K310 PolarHBondContact O-N 2.69Å; S308-K310 VanDerWaalsContact C-N 3.28Å; S308-K310 PolarHBondContact O-N 2.93Å; K310-Q314 WeakPolarHBondContact O-CB 3.33Å; K310-Q314 PolarHBondContact O-N 3.25Å |
| 311 | S | 91.3 | Very high | 92 | Very high | 75 Ų | 75 | 98 Ų | 98 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 176 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | I307 S308 Q313 Q314 E315 | I307-S311 PolarHBondContact O-N 3.3Å; S308-S311 CarbonylContact O-C 3.6Å; S308-S311 WeakPolarHBondContact O-CA 3.49Å; S308-S311 WeakPolarHBondContact O-CB 3.4Å; S308-S311 PolarHBondContact O-N 3.32Å; S311-Q313 PolarHBondContact O-N 3.04Å; S311-Q314 WeakPolarHBondContact O-CB 3.29Å; S311-Q314 PolarHBondContact O-N 2.67Å; S311-E315 PolarHBondContact O-N 2.88Å |
| 312 | E | 92.7 | Very high | 91.8 | Very high | 125 Ų | 125 | 96.4 Ų | 96.4 | 58% | 0.584 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.6 | -46.6 | 174.5 | -69.9 | 166.8 | 176 | 0 | 0 | 111.3 | S308 Q314 E315 E316 | S308-E312 WeakPolarHBondContact O-CG 3.5Å; S308-E312 PolarHBondContact O-N 3.44Å; E312-Q314 PolarHBondContact O-N 3.16Å; E312-E315 PolarHBondContact O-N 3.49Å; E312-E316 WeakPolarHBondContact O-CB 3.4Å; E312-E316 PolarHBondContact O-N 2.95Å |
| 313 | Q | 90.6 | Very high | 91.6 | Very high | 92 Ų | 92 | 94.6 Ų | 94.6 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -24.9 | 175.7 | -75.9 | -175.7 | -14.3 | 0 | 0 | 113.7 | R309 S311 K317 | R309-Q313 WeakPolarHBondContact O-CB 3.43Å; R309-Q313 VanDerWaalsContact O-CG 3.3Å; R309-Q313 WeakPolarHBondContact O-CG 3.43Å; R309-Q313 PolarHBondContact O-N 3.31Å; R309-Q313 VanDerWaalsContact O-N 3.13Å; S311-Q313 PolarHBondContact O-N 3.04Å; Q313-K317 WeakPolarHBondContact O-CD 3.26Å; Q313-K317 VanDerWaalsContact O-CG 3.22Å; Q313-K317 WeakPolarHBondContact O-CG 3.5Å; Q313-K317 PolarHBondContact O-N 2.67Å |
| 314 | Q | 90.1 | Very high | 91.2 | Very high | 84 Ų | 84 | 96.6 Ų | 96.6 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.2 | -44.8 | 174.6 | -179.3 | 58.8 | 21.9 | 0 | 0 | 111 | K310 S311 E312 E316 K317 E318 | K310-Q314 WeakPolarHBondContact O-CB 3.33Å; K310-Q314 PolarHBondContact O-N 3.25Å; S311-Q314 WeakPolarHBondContact O-CB 3.29Å; S311-Q314 PolarHBondContact O-N 2.67Å; E312-Q314 PolarHBondContact O-N 3.16Å; Q314-E316 VanDerWaalsContact C-N 3.27Å; Q314-E316 PolarHBondContact O-N 3.18Å; Q314-K317 WeakPolarHBondContact O-CB 3.2Å; Q314-K317 PolarHBondContact O-N 3.33Å; Q314-K317 VanDerWaalsContact O-N 3.13Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.46Å; Q314-E318 PolarHBondContact NE2-OE1 2.85Å; Q314-E318 WeakPolarHBondContact O-CG 3.38Å; Q314-E318 PolarHBondContact O-N 2.96Å |
| 315 | E | 89.4 | Confident | 90.9 | Very high | 97 Ų | 97 | 96.4 Ų | 96.4 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.6 | -161.1 | -162.9 | 154.4 | 0 | 0 | 111.3 | S311 E312 E318 K319 | S311-E315 PolarHBondContact O-N 2.88Å; E312-E315 PolarHBondContact O-N 3.49Å; E315-E318 PolarHBondContact O-N 3.08Å; E315-K319 VanDerWaalsContact O-CG 3.3Å; E315-K319 WeakPolarHBondContact O-CG 3.33Å; E315-K319 PolarHBondContact O-N 2.85Å; E315-K319 WeakPolarHBondContact OE1-CE 3.04Å; E315-K319 IonicContact OE1-NZ 3.57Å; E315-K319 PolarHBondContact OE1-NZ 3.37Å; E315-K319 IonicContact OE2-NZ 2.93Å |
| 316 | E | 89.9 | Confident | 90.7 | Very high | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 174.8 | -149.8 | -145.8 | 152.5 | 0 | 0 | 112.4 | E312 Q314 K319 R320 | E312-E316 WeakPolarHBondContact O-CB 3.4Å; E312-E316 PolarHBondContact O-N 2.95Å; Q314-E316 VanDerWaalsContact C-N 3.27Å; Q314-E316 PolarHBondContact O-N 3.18Å; E316-K319 PolarHBondContact O-N 3.23Å; E316-R320 VanDerWaalsContact CD-NH2 3.3Å; E316-R320 VanDerWaalsContact O-CG 3.24Å; E316-R320 WeakPolarHBondContact O-CG 3.49Å; E316-R320 PolarHBondContact O-N 3.34Å; E316-R320 IonicContact OE1-CZ 3.69Å; E316-R320 IonicContact OE1-NE 3.6Å; E316-R320 PolarHBondContact OE1-NE 3.44Å; E316-R320 IonicContact OE1-NH2 2.62Å; E316-R320 PolarHBondContact OE1-NH2 3.33Å; E316-R320 IonicContact OE2-CZ 3.11Å; E316-R320 IonicContact OE2-NH2 2.68Å; E316-R320 PolarHBondContact OE2-NH2 2.92Å |
| 317 | K | 89.3 | Confident | 90.4 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 171.9 | -73 | 165.6 | -170 | 169.7 | 0 | 111.5 | Q313 Q314 R320 N321 | Q313-K317 WeakPolarHBondContact O-CD 3.26Å; Q313-K317 VanDerWaalsContact O-CG 3.22Å; Q313-K317 WeakPolarHBondContact O-CG 3.5Å; Q313-K317 PolarHBondContact O-N 2.67Å; Q314-K317 WeakPolarHBondContact O-CB 3.2Å; Q314-K317 PolarHBondContact O-N 3.33Å; Q314-K317 VanDerWaalsContact O-N 3.13Å; K317-R320 PolarHBondContact O-N 2.93Å; K317-N321 WeakPolarHBondContact O-CB 3.21Å; K317-N321 PolarHBondContact O-N 2.79Å; K317-N321 PolarHBondContact O-ND2 3.08Å; K317-N321 PolarHBondContact O-OD1 3.42Å |
| 318 | E | 88.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 178.6 | -74.7 | 171.1 | -165.9 | 0 | 0 | 111.6 | Q314 E315 N321 L322 | Q314-E318 WeakPolarHBondContact CG-OE1 3.46Å; Q314-E318 PolarHBondContact NE2-OE1 2.85Å; Q314-E318 WeakPolarHBondContact O-CG 3.38Å; Q314-E318 PolarHBondContact O-N 2.96Å; E315-E318 PolarHBondContact O-N 3.08Å; E318-N321 PolarHBondContact O-N 3.02Å; E318-L322 WeakPolarHBondContact O-CB 3.36Å; E318-L322 PolarHBondContact O-N 3.14Å |
| 319 | K | 90.4 | Very high | 89.9 | Confident | 115 Ų | 115 | 97.1 Ų | 97.1 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 169.9 | -72.4 | 164.3 | -175.3 | 166 | 0 | 112 | E315 E316 L322 V323 | E315-K319 VanDerWaalsContact O-CG 3.3Å; E315-K319 WeakPolarHBondContact O-CG 3.33Å; E315-K319 PolarHBondContact O-N 2.85Å; E315-K319 WeakPolarHBondContact OE1-CE 3.04Å; E315-K319 IonicContact OE1-NZ 3.57Å; E315-K319 PolarHBondContact OE1-NZ 3.37Å; E315-K319 IonicContact OE2-NZ 2.93Å; E316-K319 PolarHBondContact O-N 3.23Å; K319-L322 PolarHBondContact O-N 2.81Å; K319-V323 WeakPolarHBondContact O-CG2 3.26Å; K319-V323 PolarHBondContact O-N 2.98Å; K319-V323 VanDerWaalsContact O-N 3.16Å |
| 320 | R | 88.3 | Confident | 89.7 | Confident | 152 Ų | 152 | 96.5 Ų | 96.5 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 175.6 | -68.9 | 166.9 | -177 | -152 | 9 | 111.7 | E316 K317 V323 T324 | E316-R320 VanDerWaalsContact CD-NH2 3.3Å; E316-R320 VanDerWaalsContact O-CG 3.24Å; E316-R320 WeakPolarHBondContact O-CG 3.49Å; E316-R320 PolarHBondContact O-N 3.34Å; E316-R320 IonicContact OE1-CZ 3.69Å; E316-R320 IonicContact OE1-NE 3.6Å; E316-R320 PolarHBondContact OE1-NE 3.44Å; E316-R320 IonicContact OE1-NH2 2.62Å; E316-R320 PolarHBondContact OE1-NH2 3.33Å; E316-R320 IonicContact OE2-CZ 3.11Å; E316-R320 IonicContact OE2-NH2 2.68Å; E316-R320 PolarHBondContact OE2-NH2 2.92Å; K317-R320 PolarHBondContact O-N 2.93Å; R320-V323 PolarHBondContact O-N 3.46Å; R320-T324 PolarHBondContact O-N 2.94Å; R320-T324 VanDerWaalsContact O-N 3.08Å |
| 321 | N | 88.5 | Confident | 89.5 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.7 | -69.2 | -13.1 | 0 | 0 | 0 | 111.9 | K317 E318 V323 T324 I325 | K317-N321 WeakPolarHBondContact O-CB 3.21Å; K317-N321 PolarHBondContact O-N 2.79Å; K317-N321 PolarHBondContact O-ND2 3.08Å; K317-N321 PolarHBondContact O-OD1 3.42Å; E318-N321 PolarHBondContact O-N 3.02Å; N321-V323 VanDerWaalsContact C-N 3.3Å; N321-V323 PolarHBondContact O-N 3.2Å; N321-T324 WeakPolarHBondContact CA-OG1 3.38Å; N321-T324 PolarHBondContact O-N 3.33Å; N321-T324 PolarHBondContact O-OG1 3.22Å; N321-I325 VanDerWaalsContact O-CG1 3.27Å; N321-I325 WeakPolarHBondContact O-CG1 3.49Å; N321-I325 PolarHBondContact O-N 2.87Å |
| 322 | L | 91.9 | Very high | 89.5 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.8 | -178.2 | 61.7 | 0 | 0 | 0 | 111.5 | E318 K319 I325 Q326 | E318-L322 WeakPolarHBondContact O-CB 3.36Å; E318-L322 PolarHBondContact O-N 3.14Å; K319-L322 PolarHBondContact O-N 2.81Å; L322-I325 PolarHBondContact O-N 3.28Å; L322-Q326 VanDerWaalsContact O-CG 3.32Å; L322-Q326 WeakPolarHBondContact O-CG 3.45Å; L322-Q326 PolarHBondContact O-N 2.93Å |
| 323 | V | 90.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | K319 R320 N321 Q326 A327 | K319-V323 WeakPolarHBondContact O-CG2 3.26Å; K319-V323 PolarHBondContact O-N 2.98Å; K319-V323 VanDerWaalsContact O-N 3.16Å; R320-V323 PolarHBondContact O-N 3.46Å; N321-V323 VanDerWaalsContact C-N 3.3Å; N321-V323 PolarHBondContact O-N 3.2Å; V323-Q326 PolarHBondContact O-N 3.44Å; V323-A327 WeakPolarHBondContact O-CB 3.36Å; V323-A327 PolarHBondContact O-N 3.28Å |
| 324 | T | 87.1 | Confident | 89.4 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 176 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | R320 N321 A327 S328 | R320-T324 PolarHBondContact O-N 2.94Å; R320-T324 VanDerWaalsContact O-N 3.08Å; N321-T324 WeakPolarHBondContact CA-OG1 3.38Å; N321-T324 PolarHBondContact O-N 3.33Å; N321-T324 PolarHBondContact O-OG1 3.22Å; T324-A327 PolarHBondContact O-N 3.47Å; T324-S328 WeakPolarHBondContact O-CB 3.48Å; T324-S328 PolarHBondContact O-N 3.26Å; T324-S328 PolarHBondContact O-OG 3.5Å |
| 325 | I | 87.6 | Confident | 89.4 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 172.5 | -69 | 164.6 | 0 | 0 | 0 | 110.2 | N321 L322 A327 S328 Q329 | N321-I325 VanDerWaalsContact O-CG1 3.27Å; N321-I325 WeakPolarHBondContact O-CG1 3.49Å; N321-I325 PolarHBondContact O-N 2.87Å; L322-I325 PolarHBondContact O-N 3.28Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.39Å; I325-S328 PolarHBondContact O-N 2.72Å; I325-S328 PolarHBondContact O-OG 3.37Å; I325-Q329 PolarHBondContact O-N 3.4Å |
| 326 | Q | 89.9 | Confident | 89.4 | Confident | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 176.5 | -73.6 | 174.8 | 4.7 | 0 | 0 | 112.2 | L322 V323 Q329 V330 | L322-Q326 VanDerWaalsContact O-CG 3.32Å; L322-Q326 WeakPolarHBondContact O-CG 3.45Å; L322-Q326 PolarHBondContact O-N 2.93Å; V323-Q326 PolarHBondContact O-N 3.44Å; Q326-Q329 PolarHBondContact O-N 2.89Å; Q326-V330 WeakPolarHBondContact O-CG2 3.24Å; Q326-V330 PolarHBondContact O-N 2.93Å |
| 327 | A | 88.3 | Confident | 89.4 | Confident | 51 Ų | 51 | 100 Ų | 100 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V323 T324 I325 Q329 V330 E331 | V323-A327 WeakPolarHBondContact O-CB 3.36Å; V323-A327 PolarHBondContact O-N 3.28Å; T324-A327 PolarHBondContact O-N 3.47Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.39Å; A327-Q329 VanDerWaalsContact C-N 3.33Å; A327-Q329 PolarHBondContact O-N 3.5Å; A327-V330 PolarHBondContact O-N 3.42Å; A327-V330 VanDerWaalsContact O-N 3.17Å; A327-E331 PolarHBondContact O-N 3.07Å |
| 328 | S | 86.7 | Confident | 89.4 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 179.4 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | T324 I325 E331 L332 | T324-S328 WeakPolarHBondContact O-CB 3.48Å; T324-S328 PolarHBondContact O-N 3.26Å; T324-S328 PolarHBondContact O-OG 3.5Å; I325-S328 PolarHBondContact O-N 2.72Å; I325-S328 PolarHBondContact O-OG 3.37Å; S328-E331 PolarHBondContact O-N 3.01Å; S328-L332 WeakPolarHBondContact O-CB 3.17Å; S328-L332 PolarHBondContact O-N 3.35Å |
| 329 | Q | 89.6 | Confident | 89.5 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 173 | -175.4 | 61.6 | 55.4 | 0 | 0 | 111.1 | I325 Q326 A327 E331 L332 D333 | I325-Q329 PolarHBondContact O-N 3.4Å; Q326-Q329 PolarHBondContact O-N 2.89Å; A327-Q329 VanDerWaalsContact C-N 3.33Å; A327-Q329 PolarHBondContact O-N 3.5Å; Q329-E331 PolarHBondContact O-N 2.91Å; Q329-L332 PolarHBondContact O-N 3.03Å; Q329-D333 PolarHBondContact NE2-OD1 3.41Å; Q329-D333 WeakPolarHBondContact O-CB 3.21Å; Q329-D333 PolarHBondContact O-N 3.02Å |
| 330 | V | 91.3 | Very high | 89.4 | Confident | 80 Ų | 80 | 96.3 Ų | 96.3 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -28.9 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | Q326 A327 K334 | Q326-V330 WeakPolarHBondContact O-CG2 3.24Å; Q326-V330 PolarHBondContact O-N 2.93Å; A327-V330 PolarHBondContact O-N 3.42Å; A327-V330 VanDerWaalsContact O-N 3.17Å; V330-K334 WeakPolarHBondContact O-CD 3.48Å; V330-K334 VanDerWaalsContact O-CG 3.26Å; V330-K334 WeakPolarHBondContact O-CG 3.32Å; V330-K334 PolarHBondContact O-N 3.24Å |
| 331 | E | 87.8 | Confident | 89.4 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.6 | -42.6 | 171.5 | -69.8 | -177.6 | 169.2 | 0 | 0 | 112.6 | A327 S328 Q329 D333 K334 L335 | A327-E331 PolarHBondContact O-N 3.07Å; S328-E331 PolarHBondContact O-N 3.01Å; Q329-E331 PolarHBondContact O-N 2.91Å; E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 2.91Å; E331-K334 WeakPolarHBondContact O-CB 3.47Å; E331-K334 PolarHBondContact O-N 3.17Å; E331-K334 VanDerWaalsContact O-N 3.11Å; E331-L335 WeakPolarHBondContact O-CG 3.3Å; E331-L335 PolarHBondContact O-N 3.06Å |
| 332 | L | 90.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.9 | -167.9 | 152.3 | 0 | 0 | 0 | 111.5 | S328 Q329 K334 L335 Q336 | S328-L332 WeakPolarHBondContact O-CB 3.17Å; S328-L332 PolarHBondContact O-N 3.35Å; Q329-L332 PolarHBondContact O-N 3.03Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-K334 PolarHBondContact O-N 3.35Å; L332-L335 PolarHBondContact O-N 3.18Å; L332-Q336 HydrophobicContact CD2-CG 4.11Å; L332-Q336 WeakPolarHBondContact O-CG 3.39Å; L332-Q336 PolarHBondContact O-N 3.27Å |
| 333 | D | 90.6 | Very high | 89.3 | Confident | 60 Ų | 60 | 98 Ų | 98 | 32% | 0.321 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 172.5 | -87.8 | 39.7 | 0 | 0 | 0 | 113.1 | Q329 E331 K337 | Q329-D333 PolarHBondContact NE2-OD1 3.41Å; Q329-D333 WeakPolarHBondContact O-CB 3.21Å; Q329-D333 PolarHBondContact O-N 3.02Å; E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 2.91Å; D333-K337 WeakPolarHBondContact O-CD 3.27Å; D333-K337 VanDerWaalsContact O-CG 3.29Å; D333-K337 WeakPolarHBondContact O-CG 3.26Å; D333-K337 PolarHBondContact O-N 3.08Å |
| 334 | K | 91.2 | Very high | 89.2 | Confident | 115 Ų | 115 | 100.6 Ų | 100.6 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.6 | -69.5 | 163.3 | -167.3 | 166 | 0 | 110.8 | V330 E331 L332 K337 L338 | V330-K334 WeakPolarHBondContact O-CD 3.48Å; V330-K334 VanDerWaalsContact O-CG 3.26Å; V330-K334 WeakPolarHBondContact O-CG 3.32Å; V330-K334 PolarHBondContact O-N 3.24Å; E331-K334 WeakPolarHBondContact O-CB 3.47Å; E331-K334 PolarHBondContact O-N 3.17Å; E331-K334 VanDerWaalsContact O-N 3.11Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-K334 PolarHBondContact O-N 3.35Å; K334-K337 PolarHBondContact O-N 2.68Å; K334-L338 PolarHBondContact O-N 3.37Å |
| 335 | L | 90.1 | Very high | 89.3 | Confident | 116 Ų | 116 | 100.8 Ų | 100.8 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 178.6 | -69.8 | 172 | 0 | 0 | 0 | 111.8 | E331 L332 K337 L338 L339 | E331-L335 WeakPolarHBondContact O-CG 3.3Å; E331-L335 PolarHBondContact O-N 3.06Å; L332-L335 PolarHBondContact O-N 3.18Å; L335-K337 PolarHBondContact O-N 3.23Å; L335-L338 PolarHBondContact O-N 3.03Å; L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 PolarHBondContact O-N 2.85Å |
| 336 | Q | 89.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 173.2 | -74.8 | -174.4 | -4.3 | 0 | 0 | 112.1 | L332 L339 A340 | L332-Q336 HydrophobicContact CD2-CG 4.11Å; L332-Q336 WeakPolarHBondContact O-CG 3.39Å; L332-Q336 PolarHBondContact O-N 3.27Å; Q336-L339 PolarHBondContact O-N 2.94Å; Q336-A340 WeakPolarHBondContact O-CB 3.17Å; Q336-A340 PolarHBondContact O-N 3.31Å |
| 337 | K | 89.3 | Confident | 89.3 | Confident | 134 Ų | 134 | 101.2 Ų | 101.2 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 176.3 | -72.7 | 162.1 | -172.6 | 156.8 | 0 | 111.9 | D333 K334 L335 A340 M341 | D333-K337 WeakPolarHBondContact O-CD 3.27Å; D333-K337 VanDerWaalsContact O-CG 3.29Å; D333-K337 WeakPolarHBondContact O-CG 3.26Å; D333-K337 PolarHBondContact O-N 3.08Å; K334-K337 PolarHBondContact O-N 2.68Å; L335-K337 PolarHBondContact O-N 3.23Å; K337-A340 PolarHBondContact O-N 3.48Å; K337-M341 WeakPolarHBondContact O-CG 3.27Å; K337-M341 PolarHBondContact O-N 2.98Å; K337-M341 VanDerWaalsContact O-N 3.12Å |
| 338 | L | 90.8 | Very high | 89.3 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.5 | -77.8 | 167.4 | 0 | 0 | 0 | 112.3 | K334 L335 A340 M341 R342 | K334-L338 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 3.03Å; L338-A340 PolarHBondContact O-N 2.87Å; L338-M341 PolarHBondContact O-N 3.4Å; L338-M341 VanDerWaalsContact O-N 3.12Å; L338-R342 PolarHBondContact O-N 3.48Å |
| 339 | L | 89.8 | Confident | 89.4 | Confident | 107 Ų | 107 | 107 Ų | 107 | 56% | 0.56 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 178.4 | -158.5 | 164.9 | 0 | 0 | 0 | 110.7 | L335 Q336 M341 R342 E343 | L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 PolarHBondContact O-N 2.85Å; Q336-L339 PolarHBondContact O-N 2.94Å; L339-M341 VanDerWaalsContact C-N 3.27Å; L339-M341 PolarHBondContact O-N 3.5Å; L339-R342 PolarHBondContact O-N 3Å; L339-R342 VanDerWaalsContact O-N 3.16Å; L339-E343 HydrophobicContact CD2-CG 4.28Å; L339-E343 PolarHBondContact O-N 3.34Å |
| 340 | A | 89.1 | Confident | 89.2 | Confident | 47 Ų | 47 | 109 Ų | 109 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -26.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | Q336 K337 L338 K344 | Q336-A340 WeakPolarHBondContact O-CB 3.17Å; Q336-A340 PolarHBondContact O-N 3.31Å; K337-A340 PolarHBondContact O-N 3.48Å; L338-A340 PolarHBondContact O-N 2.87Å; A340-K344 WeakPolarHBondContact O-CG 3.46Å |
| 341 | M | 87.4 | Confident | 89 | Confident | 111 Ų | 111 | 111.2 Ų | 111.2 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.9 | -46 | 169.7 | -62.8 | -139.4 | -58.9 | 0 | 0 | 111.7 | K337 L338 L339 E343 K344 E345 | K337-M341 WeakPolarHBondContact O-CG 3.27Å; K337-M341 PolarHBondContact O-N 2.98Å; K337-M341 VanDerWaalsContact O-N 3.12Å; L338-M341 PolarHBondContact O-N 3.4Å; L338-M341 VanDerWaalsContact O-N 3.12Å; L339-M341 VanDerWaalsContact C-N 3.27Å; L339-M341 PolarHBondContact O-N 3.5Å; M341-E343 PolarHBondContact O-N 2.86Å; M341-K344 WeakPolarHBondContact O-CB 3.42Å; M341-K344 PolarHBondContact O-N 3.48Å; M341-E345 PolarHBondContact O-N 3.37Å |
| 342 | R | 90.3 | Very high | 89.1 | Confident | 168 Ų | 168 | 110.7 Ų | 110.7 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.1 | -34.2 | 176.5 | -68.4 | -52.3 | -161.1 | 178.8 | 2.3 | 112.7 | L338 L339 E345 M346 | L338-R342 PolarHBondContact O-N 3.48Å; L339-R342 PolarHBondContact O-N 3Å; L339-R342 VanDerWaalsContact O-N 3.16Å; R342-E345 WeakPolarHBondContact CD-OE2 3.37Å; R342-E345 IonicContact CZ-OE2 2.8Å; R342-E345 IonicContact NE-OE2 2.7Å; R342-E345 IonicContact NH1-OE1 3.2Å; R342-E345 IonicContact NH1-OE2 2.71Å; R342-E345 PolarHBondContact NH1-OE2 3.29Å; R342-M346 VanDerWaalsContact O-CB 3.24Å; R342-M346 WeakPolarHBondContact O-CB 3.37Å; R342-M346 PolarHBondContact O-N 3.09Å |
| 343 | E | 88.7 | Confident | 88.9 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 171 | -84.5 | -161 | -161.7 | 0 | 0 | 113.7 | L339 M341 M346 K347 | L339-E343 HydrophobicContact CD2-CG 4.28Å; L339-E343 PolarHBondContact O-N 3.34Å; M341-E343 PolarHBondContact O-N 2.86Å; E343-M346 PolarHBondContact O-N 3.36Å; E343-K347 WeakPolarHBondContact O-CB 3.12Å; E343-K347 WeakPolarHBondContact O-CD 3.32Å; E343-K347 VanDerWaalsContact O-CG 3.22Å; E343-K347 WeakPolarHBondContact O-CG 3.47Å; E343-K347 PolarHBondContact O-N 3.38Å; E343-K347 IonicContact OE2-NZ 3.5Å; E343-K347 PolarHBondContact OE2-NZ 3.09Å |
| 344 | K | 88.6 | Confident | 88.7 | Confident | 145 Ų | 145 | 113.6 Ų | 113.6 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -43.5 | 178.7 | -69.2 | 172.2 | -178.2 | 180 | 0 | 110.8 | A340 M341 K347 H348 | A340-K344 WeakPolarHBondContact O-CG 3.46Å; M341-K344 WeakPolarHBondContact O-CB 3.42Å; M341-K344 PolarHBondContact O-N 3.48Å; K344-K347 PolarHBondContact O-N 3.08Å; K344-H348 PolarHBondContact O-N 2.95Å |
| 345 | E | 87.5 | Confident | 88.6 | Confident | 91 Ų | 91 | 111.8 Ų | 111.8 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 171.4 | -66.1 | 173.2 | 176.6 | 0 | 0 | 111.2 | M341 R342 K347 H348 V349 | M341-E345 PolarHBondContact O-N 3.37Å; R342-E345 WeakPolarHBondContact CD-OE2 3.37Å; R342-E345 IonicContact CZ-OE2 2.8Å; R342-E345 IonicContact NE-OE2 2.7Å; R342-E345 IonicContact NH1-OE1 3.2Å; R342-E345 IonicContact NH1-OE2 2.71Å; R342-E345 PolarHBondContact NH1-OE2 3.29Å; E345-K347 VanDerWaalsContact C-N 3.29Å; E345-K347 PolarHBondContact O-N 3.17Å; E345-H348 WeakPolarHBondContact O-CB 3.5Å; E345-H348 PolarHBondContact O-N 2.84Å; E345-H348 VanDerWaalsContact O-N 3.07Å; E345-V349 WeakPolarHBondContact O-CG2 3.3Å; E345-V349 PolarHBondContact O-N 3.4Å |
| 346 | M | 88.9 | Confident | 88.4 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 178.5 | -173.8 | 60.7 | 64 | 0 | 0 | 112.6 | R342 E343 K350 | R342-M346 VanDerWaalsContact O-CB 3.24Å; R342-M346 WeakPolarHBondContact O-CB 3.37Å; R342-M346 PolarHBondContact O-N 3.09Å; E343-M346 PolarHBondContact O-N 3.36Å; M346-K350 WeakPolarHBondContact O-CB 3.41Å; M346-K350 WeakPolarHBondContact O-CG 3.49Å; M346-K350 PolarHBondContact O-N 3.31Å |
| 347 | K | 88.6 | Confident | 88.3 | Confident | 124 Ų | 124 | 109.9 Ų | 109.9 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 172.5 | -75.1 | 158 | -178.9 | 157.2 | 0 | 111.1 | E343 K344 E345 K350 Q351 | E343-K347 WeakPolarHBondContact O-CB 3.12Å; E343-K347 WeakPolarHBondContact O-CD 3.32Å; E343-K347 VanDerWaalsContact O-CG 3.22Å; E343-K347 WeakPolarHBondContact O-CG 3.47Å; E343-K347 PolarHBondContact O-N 3.38Å; E343-K347 IonicContact OE2-NZ 3.5Å; E343-K347 PolarHBondContact OE2-NZ 3.09Å; K344-K347 PolarHBondContact O-N 3.08Å; E345-K347 VanDerWaalsContact C-N 3.29Å; E345-K347 PolarHBondContact O-N 3.17Å; K347-K350 PolarHBondContact O-N 3.15Å; K347-Q351 PolarHBondContact O-N 3.48Å |
| 348 | H | 88.6 | Confident | 88.2 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 66% | 0.662 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 172.9 | -91.1 | -44 | 0 | 0 | 0 | 113.3 | K344 E345 K350 Q351 L352 | K344-H348 PolarHBondContact O-N 2.95Å; E345-H348 WeakPolarHBondContact O-CB 3.5Å; E345-H348 PolarHBondContact O-N 2.84Å; E345-H348 VanDerWaalsContact O-N 3.07Å; H348-K350 VanDerWaalsContact C-N 3.34Å; H348-K350 PolarHBondContact O-N 2.82Å; H348-Q351 WeakPolarHBondContact O-CB 3.38Å; H348-Q351 PolarHBondContact O-N 2.95Å; H348-Q351 VanDerWaalsContact O-N 3.16Å; H348-L352 PolarHBondContact O-N 2.91Å |
| 349 | V | 89.4 | Confident | 88 | Confident | 91 Ų | 91 | 107.4 Ų | 107.4 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | E345 Q351 L352 A353 | E345-V349 WeakPolarHBondContact O-CG2 3.3Å; E345-V349 PolarHBondContact O-N 3.4Å; V349-Q351 PolarHBondContact O-N 3.45Å; V349-L352 PolarHBondContact O-N 2.99Å; V349-A353 WeakPolarHBondContact O-CB 3.5Å; V349-A353 PolarHBondContact O-N 3.04Å |
| 350 | K | 85.9 | Confident | 87.8 | Confident | 142 Ų | 142 | 108.1 Ų | 108.1 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 174.2 | -74.9 | 177.3 | 178.4 | -176.4 | 0 | 112.6 | M346 K347 H348 K354 | M346-K350 WeakPolarHBondContact O-CB 3.41Å; M346-K350 WeakPolarHBondContact O-CG 3.49Å; M346-K350 PolarHBondContact O-N 3.31Å; K347-K350 PolarHBondContact O-N 3.15Å; H348-K350 VanDerWaalsContact C-N 3.34Å; H348-K350 PolarHBondContact O-N 2.82Å; K350-K354 WeakPolarHBondContact O-CB 3.2Å; K350-K354 PolarHBondContact O-N 3.38Å |
| 351 | Q | 86.9 | Confident | 87.7 | Confident | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 175.9 | -161.9 | 76.9 | -3.4 | 0 | 0 | 111.3 | K347 H348 V349 K354 T355 | K347-Q351 PolarHBondContact O-N 3.48Å; H348-Q351 WeakPolarHBondContact O-CB 3.38Å; H348-Q351 PolarHBondContact O-N 2.95Å; H348-Q351 VanDerWaalsContact O-N 3.16Å; V349-Q351 PolarHBondContact O-N 3.45Å; Q351-K354 PolarHBondContact O-N 2.97Å; Q351-T355 PolarHBondContact O-N 3.22Å; Q351-T355 VanDerWaalsContact O-N 3.13Å; Q351-T355 PolarHBondContact O-OG1 3.22Å |
| 352 | L | 89.8 | Confident | 87.6 | Confident | 108 Ų | 108 | 111.8 Ų | 111.8 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 178.7 | -179.2 | 61.1 | 0 | 0 | 0 | 112 | H348 V349 K354 T355 I356 | H348-L352 PolarHBondContact O-N 2.91Å; V349-L352 PolarHBondContact O-N 2.99Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 2.97Å; L352-T355 WeakPolarHBondContact O-CB 3.47Å; L352-T355 PolarHBondContact O-N 3.02Å; L352-T355 VanDerWaalsContact O-N 3.13Å; L352-I356 HydrophobicContact CD1-CD1 4.38Å; L352-I356 HydrophobicContact CG-CD1 4.08Å; L352-I356 WeakPolarHBondContact O-CG1 3.31Å; L352-I356 PolarHBondContact O-N 3.05Å |
| 353 | A | 86.5 | Confident | 87.4 | Confident | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V349 I356 V357 | V349-A353 WeakPolarHBondContact O-CB 3.5Å; V349-A353 PolarHBondContact O-N 3.04Å; A353-I356 PolarHBondContact O-N 3.27Å; A353-V357 WeakPolarHBondContact O-CG2 3.33Å; A353-V357 PolarHBondContact O-N 3.49Å |
| 354 | K | 86.8 | Confident | 87.1 | Confident | 147 Ų | 147 | 104.6 Ų | 104.6 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61 | -44.1 | 174 | -173.3 | 179.4 | 178.5 | -177.7 | 0 | 111.8 | K350 Q351 L352 V357 V358 | K350-K354 WeakPolarHBondContact O-CB 3.2Å; K350-K354 PolarHBondContact O-N 3.38Å; Q351-K354 PolarHBondContact O-N 2.97Å; L352-K354 VanDerWaalsContact C-N 3.29Å; L352-K354 PolarHBondContact O-N 2.97Å; K354-V357 PolarHBondContact O-N 2.73Å; K354-V358 WeakPolarHBondContact O-CG2 3.42Å; K354-V358 PolarHBondContact O-N 3.48Å |
| 355 | T | 87.9 | Confident | 87 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.3 | -56 | 0 | 0 | 0 | 0 | 112.1 | Q351 L352 V357 V358 K359 | Q351-T355 PolarHBondContact O-N 3.22Å; Q351-T355 VanDerWaalsContact O-N 3.13Å; Q351-T355 PolarHBondContact O-OG1 3.22Å; L352-T355 WeakPolarHBondContact O-CB 3.47Å; L352-T355 PolarHBondContact O-N 3.02Å; L352-T355 VanDerWaalsContact O-N 3.13Å; T355-V357 PolarHBondContact O-N 2.93Å; T355-V358 PolarHBondContact O-N 3.13Å; T355-K359 PolarHBondContact O-N 3.39Å |
| 356 | I | 86.6 | Confident | 87 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.5 | -67.4 | 166.5 | 0 | 0 | 0 | 111 | L352 A353 K359 R360 | L352-I356 HydrophobicContact CD1-CD1 4.38Å; L352-I356 HydrophobicContact CG-CD1 4.08Å; L352-I356 WeakPolarHBondContact O-CG1 3.31Å; L352-I356 PolarHBondContact O-N 3.05Å; A353-I356 PolarHBondContact O-N 3.27Å; I356-K359 PolarHBondContact O-N 3.02Å; I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.3Å |
| 357 | V | 86.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 112 | A353 K354 T355 R360 R361 | A353-V357 WeakPolarHBondContact O-CG2 3.33Å; A353-V357 PolarHBondContact O-N 3.49Å; K354-V357 PolarHBondContact O-N 2.73Å; T355-V357 PolarHBondContact O-N 2.93Å; V357-R360 PolarHBondContact O-N 3.49Å; V357-R361 PolarHBondContact O-N 3.46Å; V357-R361 VanDerWaalsContact O-N 3.13Å |
| 358 | V | 87.1 | Confident | 86.5 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | K354 T355 R360 R361 E362 | K354-V358 WeakPolarHBondContact O-CG2 3.42Å; K354-V358 PolarHBondContact O-N 3.48Å; T355-V358 PolarHBondContact O-N 3.13Å; V358-R360 VanDerWaalsContact C-N 3.34Å; V358-R360 PolarHBondContact O-N 2.91Å; V358-R361 WeakPolarHBondContact O-CB 3.29Å; V358-R361 PolarHBondContact O-N 2.91Å; V358-E362 PolarHBondContact O-N 3.41Å; V358-E362 VanDerWaalsContact O-N 3.12Å |
| 359 | K | 86.5 | Confident | 86.3 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 178.3 | -70.1 | -45.2 | -168.4 | -172.1 | 0 | 113.4 | T355 I356 E362 V363 | T355-K359 PolarHBondContact O-N 3.39Å; I356-K359 PolarHBondContact O-N 3.02Å; K359-E362 VanDerWaalsContact CD-CD 3.47Å; K359-E362 WeakPolarHBondContact CD-OE1 3.3Å; K359-E362 WeakPolarHBondContact CD-OE2 3.47Å; K359-E362 WeakPolarHBondContact CE-OE2 3.5Å; K359-E362 IonicContact NZ-OE1 3.99Å; K359-E362 PolarHBondContact NZ-OE1 3.43Å; K359-E362 IonicContact NZ-OE2 2.72Å; K359-E362 PolarHBondContact NZ-OE2 3.37Å; K359-E362 PolarHBondContact O-N 3.48Å; K359-V363 WeakPolarHBondContact O-CG2 3.39Å; K359-V363 PolarHBondContact O-N 2.62Å |
| 360 | R | 86 | Confident | 86 | Confident | 122 Ų | 122 | 97.3 Ų | 97.3 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 172.4 | -179.7 | 168.5 | 176.6 | 147.6 | 3.5 | 111.6 | I356 V357 V358 V363 E364 N460 | I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.3Å; V357-R360 PolarHBondContact O-N 3.49Å; V358-R360 VanDerWaalsContact C-N 3.34Å; V358-R360 PolarHBondContact O-N 2.91Å; R360-V363 PolarHBondContact O-N 3.27Å; R360-E364 HydrophobicContact CG-CG 4.33Å; R360-E364 VanDerWaalsContact CG-OE1 3.3Å; R360-E364 WeakPolarHBondContact CG-OE1 3.49Å; R360-E364 IonicContact CZ-OE1 2.85Å; R360-E364 IonicContact NE-OE1 2.67Å; R360-E364 PolarHBondContact NE-OE1 3.45Å; R360-E364 IonicContact NH2-OE1 2.85Å; R360-E364 PolarHBondContact NH2-OE1 2.91Å; R360-E364 WeakPolarHBondContact O-CG 3.37Å; R360-E364 PolarHBondContact O-N 3.02Å; R360-N460 PolarHBondContact NH2-OD1 3.02Å |
| 361 | R | 86.5 | Confident | 85.9 | Confident | 148 Ų | 148 | 91.3 Ų | 91.3 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.8 | -47.2 | 177.3 | -172 | -167.6 | -61.2 | -171.1 | -4.5 | 112.4 | V357 V358 V363 E364 E365 | V357-R361 PolarHBondContact O-N 3.46Å; V357-R361 VanDerWaalsContact O-N 3.13Å; V358-R361 WeakPolarHBondContact O-CB 3.29Å; V358-R361 PolarHBondContact O-N 2.91Å; R361-V363 PolarHBondContact O-N 3.45Å; R361-E364 PolarHBondContact O-N 3.27Å; R361-E365 WeakPolarHBondContact CD-OE1 3.23Å; R361-E365 HydrophobicContact CG-CG 4.15Å; R361-E365 VanDerWaalsContact CG-OE1 3.3Å; R361-E365 WeakPolarHBondContact CG-OE1 3.44Å; R361-E365 WeakPolarHBondContact O-CG 3.29Å; R361-E365 PolarHBondContact O-N 3.46Å |
| 362 | E | 86.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 41% | 0.407 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.1 | -38.9 | 180 | -69.8 | 172.5 | -158.1 | 0 | 0 | 112.2 | V358 K359 F366 | V358-E362 PolarHBondContact O-N 3.41Å; V358-E362 VanDerWaalsContact O-N 3.12Å; K359-E362 VanDerWaalsContact CD-CD 3.47Å; K359-E362 WeakPolarHBondContact CD-OE1 3.3Å; K359-E362 WeakPolarHBondContact CD-OE2 3.47Å; K359-E362 WeakPolarHBondContact CE-OE2 3.5Å; K359-E362 IonicContact NZ-OE1 3.99Å; K359-E362 PolarHBondContact NZ-OE1 3.43Å; K359-E362 IonicContact NZ-OE2 2.72Å; K359-E362 PolarHBondContact NZ-OE2 3.37Å; K359-E362 PolarHBondContact O-N 3.48Å; E362-F366 PolarHBondContact O-N 2.87Å |
| 363 | V | 85.4 | Confident | 85.3 | Confident | 60 Ų | 60 | 87 Ų | 87 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -80.2 | -34.1 | 177.5 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | K359 R360 R361 E365 F366 F367 M459 | K359-V363 WeakPolarHBondContact O-CG2 3.39Å; K359-V363 PolarHBondContact O-N 2.62Å; R360-V363 PolarHBondContact O-N 3.27Å; R361-V363 PolarHBondContact O-N 3.45Å; V363-E365 VanDerWaalsContact C-N 3.34Å; V363-E365 PolarHBondContact O-N 3.3Å; V363-F366 PolarHBondContact O-N 3Å; V363-F367 HydrophobicContact CG1-CD2 3.95Å; V363-F367 HydrophobicContact CG1-CE2 3.84Å; V363-F367 WeakPolarHBondContact O-CD2 3.33Å; V363-F367 PolarHBondContact O-N 3.2Å; V363-F367 VanDerWaalsContact O-N 3.13Å; V363-M459 HydrophobicContact CB-CE 3.95Å; V363-M459 HydrophobicContact CG1-CE 3.61Å; V363-M459 HydrophobicContact CG1-SD 3.7Å |
| 364 | E | 83.2 | Confident | 85.2 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 24% | 0.238 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 174.1 | -74.8 | 171 | 176.3 | 0 | 0 | 112.8 | R360 R361 H368 F456 N460 | R360-E364 HydrophobicContact CG-CG 4.33Å; R360-E364 VanDerWaalsContact CG-OE1 3.3Å; R360-E364 WeakPolarHBondContact CG-OE1 3.49Å; R360-E364 IonicContact CZ-OE1 2.85Å; R360-E364 IonicContact NE-OE1 2.67Å; R360-E364 PolarHBondContact NE-OE1 3.45Å; R360-E364 IonicContact NH2-OE1 2.85Å; R360-E364 PolarHBondContact NH2-OE1 2.91Å; R360-E364 WeakPolarHBondContact O-CG 3.37Å; R360-E364 PolarHBondContact O-N 3.02Å; R361-E364 PolarHBondContact O-N 3.27Å; E364-H368 PolarHBondContact O-N 3.5Å; E364-H368 PolarHBondContact O-ND1 2.86Å; E364-F456 HydrophobicContact CB-CE2 4.23Å; E364-F456 HydrophobicContact CG-CE2 4.11Å; E364-N460 PolarHBondContact OE1-OD1 2.96Å |
| 365 | E | 85.7 | Confident | 85 | Confident | 102 Ų | 102 | 84.3 Ų | 84.3 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 174 | -73.4 | 167.6 | 171.3 | 0 | 0 | 110.7 | R361 V363 F367 H368 E369 | R361-E365 WeakPolarHBondContact CD-OE1 3.23Å; R361-E365 HydrophobicContact CG-CG 4.15Å; R361-E365 VanDerWaalsContact CG-OE1 3.3Å; R361-E365 WeakPolarHBondContact CG-OE1 3.44Å; R361-E365 WeakPolarHBondContact O-CG 3.29Å; R361-E365 PolarHBondContact O-N 3.46Å; V363-E365 VanDerWaalsContact C-N 3.34Å; V363-E365 PolarHBondContact O-N 3.3Å; E365-F367 VanDerWaalsContact C-N 3.34Å; E365-F367 PolarHBondContact O-N 2.89Å; E365-H368 WeakPolarHBondContact O-CB 3.33Å; E365-H368 PolarHBondContact O-N 3.4Å; E365-E369 PolarHBondContact O-N 2.84Å; E365-E369 VanDerWaalsContact O-N 3.08Å |
| 366 | F | 86.8 | Confident | 84.8 | Confident | 129 Ų | 129 | 87.4 Ų | 87.4 | 57% | 0.566 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -54.4 | -43.3 | 176.4 | 172.4 | -98.9 | 0 | 0 | 0 | 113.6 | E362 V363 H368 E369 A370 | E362-F366 PolarHBondContact O-N 2.87Å; V363-F366 PolarHBondContact O-N 3Å; F366-H368 PolarHBondContact O-N 2.85Å; F366-E369 PolarHBondContact O-N 3.22Å; F366-A370 WeakPolarHBondContact O-CB 3.26Å; F366-A370 PolarHBondContact O-N 2.92Å |
| 367 | F | 84.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 10% | 0.101 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 177.4 | -87.8 | -75.9 | 0 | 0 | 0 | 113.4 | V363 E365 L371 L452 L455 F456 M459 | V363-F367 HydrophobicContact CG1-CD2 3.95Å; V363-F367 HydrophobicContact CG1-CE2 3.84Å; V363-F367 WeakPolarHBondContact O-CD2 3.33Å; V363-F367 PolarHBondContact O-N 3.2Å; V363-F367 VanDerWaalsContact O-N 3.13Å; E365-F367 VanDerWaalsContact C-N 3.34Å; E365-F367 PolarHBondContact O-N 2.89Å; F367-L371 WeakPolarHBondContact O-CB 3.37Å; F367-L371 WeakPolarHBondContact O-CG 3.37Å; F367-L371 PolarHBondContact O-N 3.31Å; F367-L452 HydrophobicContact CD1-CD2 4.46Å; F367-L452 HydrophobicContact CE1-CD2 4.27Å; F367-L455 HydrophobicContact CE1-CB 3.8Å; F367-L455 HydrophobicContact CZ-CB 4.22Å; F367-F456 HydrophobicContact CB-CB 4.29Å; F367-F456 HydrophobicContact CB-CD2 3.47Å; F367-F456 VanDerWaalsContact CB-CD2 3.47Å; F367-F456 HydrophobicContact CB-CE2 4.19Å; F367-F456 HydrophobicContact CB-CG 4.21Å; F367-F456 HydrophobicContact CD1-CB 4.27Å; F367-F456 HydrophobicContact CD2-CD2 4.42Å; F367-F456 HydrophobicContact CG-CB 4.32Å; F367-F456 HydrophobicContact CG-CD2 4.01Å; F367-M459 HydrophobicContact CD2-CE 3.91Å; F367-M459 HydrophobicContact CD2-SD 4.12Å; F367-M459 HydrophobicContact CE2-CE 4.03Å; F367-M459 HydrophobicContact CE2-SD 3.6Å; F367-M459 VanDerWaalsContact CE2-SD 3.6Å; F367-M459 HydrophobicContact CZ-SD 4.5Å |
| 368 | H | 82.4 | Confident | 84.1 | Confident | 119 Ų | 119 | 82 Ų | 82 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 174 | -83 | 84.7 | 0 | 0 | 0 | 111.8 | E364 E365 F366 L371 G372 F456 | E364-H368 PolarHBondContact O-N 3.5Å; E364-H368 PolarHBondContact O-ND1 2.86Å; E365-H368 WeakPolarHBondContact O-CB 3.33Å; E365-H368 PolarHBondContact O-N 3.4Å; F366-H368 PolarHBondContact O-N 2.85Å; H368-L371 PolarHBondContact O-N 3.3Å; H368-G372 PolarHBondContact O-N 3.17Å; H368-F456 AromaticContact CE1-CE2 3.99Å; H368-F456 AromaticContact CE1-CZ 3.45Å; H368-F456 VanDerWaalsContact CE1-CZ 3.45Å; H368-F456 WeakPolarHBondContact CE1-CZ 3.34Å; H368-F456 AromaticContact ND1-CZ 3.97Å |
| 369 | E | 85.6 | Confident | 83.8 | Confident | 147 Ų | 147 | 83.5 Ų | 83.5 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 176.3 | -67.1 | -174.3 | 161.4 | 0 | 0 | 111.5 | E365 F366 L371 G372 H373 | E365-E369 PolarHBondContact O-N 2.84Å; E365-E369 VanDerWaalsContact O-N 3.08Å; F366-E369 PolarHBondContact O-N 3.22Å; E369-L371 PolarHBondContact O-N 3.44Å; E369-G372 PolarHBondContact O-N 2.88Å; E369-H373 PolarHBondContact O-N 3.3Å |
| 370 | A | 83.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F366 H373 V374 L452 | F366-A370 WeakPolarHBondContact O-CB 3.26Å; F366-A370 PolarHBondContact O-N 2.92Å; A370-H373 PolarHBondContact O-N 2.87Å; A370-V374 PolarHBondContact O-N 3.22Å; A370-L452 HydrophobicContact CB-CD1 4.22Å |
| 371 | L | 82.3 | Confident | 83.1 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 174.8 | -80.8 | 168 | 0 | 0 | 0 | 112.5 | F367 H368 E369 V374 R375 E449 L452 S453 | F367-L371 WeakPolarHBondContact O-CB 3.37Å; F367-L371 WeakPolarHBondContact O-CG 3.37Å; F367-L371 PolarHBondContact O-N 3.31Å; H368-L371 PolarHBondContact O-N 3.3Å; E369-L371 PolarHBondContact O-N 3.44Å; L371-V374 PolarHBondContact O-N 3.22Å; L371-R375 WeakPolarHBondContact O-CG 3.22Å; L371-R375 PolarHBondContact O-N 3.04Å; L371-R375 VanDerWaalsContact O-N 3.08Å; L371-E449 HydrophobicContact CD2-CG 4.18Å; L371-L452 HydrophobicContact CD2-CB 3.54Å; L371-L452 HydrophobicContact CG-CB 3.98Å; L371-S453 WeakPolarHBondContact CD2-OG 3.41Å |
| 372 | G | 82.1 | Confident | 82.7 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H368 E369 R375 Q376 | H368-G372 PolarHBondContact O-N 3.17Å; E369-G372 PolarHBondContact O-N 2.88Å; G372-R375 PolarHBondContact O-N 3.4Å; G372-Q376 WeakPolarHBondContact O-CG 3.2Å; G372-Q376 PolarHBondContact O-N 3.41Å; G372-Q376 VanDerWaalsContact O-N 3.11Å |
| 373 | H | 83.8 | Confident | 82.4 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 54% | 0.537 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 178.7 | -169 | -41.5 | 0 | 0 | 0 | 112.2 | E369 A370 R375 Q376 E377 | E369-H373 PolarHBondContact O-N 3.3Å; A370-H373 PolarHBondContact O-N 2.87Å; H373-R375 VanDerWaalsContact C-N 3.35Å; H373-R375 PolarHBondContact O-N 2.92Å; H373-Q376 PolarHBondContact O-N 2.82Å; H373-E377 PolarHBondContact O-N 2.95Å |
| 374 | V | 83.5 | Confident | 82 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | A370 L371 E377 I378 W445 K448 E449 L452 | A370-V374 PolarHBondContact O-N 3.22Å; L371-V374 PolarHBondContact O-N 3.22Å; V374-E377 PolarHBondContact O-N 3.22Å; V374-I378 HydrophobicContact CG1-CD1 4.19Å; V374-I378 WeakPolarHBondContact O-CG1 3.07Å; V374-I378 PolarHBondContact O-N 3.06Å; V374-W445 HydrophobicContact CG1-CE3 4.27Å; V374-W445 VanDerWaalsContact CG1-O 3.28Å; V374-W445 WeakPolarHBondContact CG1-O 3.4Å; V374-W445 HydrophobicContact CG2-CE3 4.23Å; V374-W445 HydrophobicContact CG2-CZ3 4.29Å; V374-K448 HydrophobicContact CG1-CB 4.05Å; V374-K448 HydrophobicContact CG2-CB 4.37Å; V374-E449 HydrophobicContact CG1-CB 3.89Å; V374-L452 HydrophobicContact CG2-CD1 3.76Å |
| 375 | R | 83.3 | Confident | 81.5 | Confident | 130 Ų | 130 | 74.7 Ų | 74.7 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.4 | -77.8 | 176.9 | 170.6 | 154.9 | 9.1 | 113.3 | L371 G372 H373 E377 I378 V379 E449 | L371-R375 WeakPolarHBondContact O-CG 3.22Å; L371-R375 PolarHBondContact O-N 3.04Å; L371-R375 VanDerWaalsContact O-N 3.08Å; G372-R375 PolarHBondContact O-N 3.4Å; H373-R375 VanDerWaalsContact C-N 3.35Å; H373-R375 PolarHBondContact O-N 2.92Å; R375-E377 VanDerWaalsContact C-N 3.31Å; R375-E377 PolarHBondContact O-N 3.31Å; R375-I378 PolarHBondContact O-N 3.05Å; R375-V379 WeakPolarHBondContact O-CG2 3.26Å; R375-V379 PolarHBondContact O-N 3.07Å; R375-E449 HydrophobicContact CG-CG 4.39Å; R375-E449 IonicContact CZ-OE1 3.56Å; R375-E449 IonicContact NE-OE1 2.67Å; R375-E449 PolarHBondContact NE-OE1 3.04Å; R375-E449 IonicContact NH2-OE1 3.51Å; R375-E449 PolarHBondContact NH2-OE1 3.15Å |
| 376 | Q | 82.6 | Confident | 80.9 | Confident | 142 Ų | 142 | 73.8 Ų | 73.8 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 175.9 | -71 | 173.5 | 7 | 0 | 0 | 111.1 | G372 H373 V379 A380 | G372-Q376 WeakPolarHBondContact O-CG 3.2Å; G372-Q376 PolarHBondContact O-N 3.41Å; G372-Q376 VanDerWaalsContact O-N 3.11Å; H373-Q376 PolarHBondContact O-N 2.82Å; Q376-V379 PolarHBondContact O-N 2.85Å; Q376-A380 PolarHBondContact O-N 2.86Å |
| 377 | E | 81.6 | Confident | 80.4 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 179.8 | -160.2 | 60.2 | -150 | 0 | 0 | 113 | H373 V374 R375 V379 A380 S381 W445 | H373-E377 PolarHBondContact O-N 2.95Å; V374-E377 PolarHBondContact O-N 3.22Å; R375-E377 VanDerWaalsContact C-N 3.31Å; R375-E377 PolarHBondContact O-N 3.31Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.39Å; E377-A380 PolarHBondContact O-N 2.87Å; E377-S381 VanDerWaalsContact O-CB 3.28Å; E377-S381 WeakPolarHBondContact O-CB 3.5Å; E377-S381 PolarHBondContact O-N 2.75Å; E377-W445 HydrophobicContact CB-CD2 4.09Å; E377-W445 HydrophobicContact CB-CE3 4.29Å; E377-W445 HydrophobicContact CB-CG 4.34Å; E377-W445 HydrophobicContact CG-CD2 3.62Å; E377-W445 HydrophobicContact CG-CE3 4.15Å; E377-W445 HydrophobicContact CG-CG 3.97Å; E377-W445 HydrophobicContact CG-CH2 4.25Å; E377-W445 HydrophobicContact CG-CZ2 3.72Å; E377-W445 HydrophobicContact CG-CZ3 4.44Å |
| 378 | I | 76.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 171 | -68.4 | 168.5 | 0 | 0 | 0 | 111.1 | V374 R375 K382 W445 E446 E449 | V374-I378 HydrophobicContact CG1-CD1 4.19Å; V374-I378 WeakPolarHBondContact O-CG1 3.07Å; V374-I378 PolarHBondContact O-N 3.06Å; R375-I378 PolarHBondContact O-N 3.05Å; I378-K382 HydrophobicContact CG2-CD 4.02Å; I378-K382 VanDerWaalsContact CG2-NZ 3.34Å; I378-K382 WeakPolarHBondContact O-CG 3.04Å; I378-K382 PolarHBondContact O-N 3.05Å; I378-K382 VanDerWaalsContact O-N 3.1Å; I378-W445 HydrophobicContact CD1-CB 4.45Å; I378-W445 HydrophobicContact CG1-CB 3.53Å; I378-E446 HydrophobicContact CD1-CG 4.39Å; I378-E446 HydrophobicContact CG1-CG 4.5Å; I378-E446 HydrophobicContact CG2-CG 4.45Å; I378-E449 HydrophobicContact CD1-CB 4Å; I378-E449 VanDerWaalsContact CD1-OE2 3.29Å; I378-E449 WeakPolarHBondContact CD1-OE2 3.17Å |
| 379 | V | 80.9 | Confident | 79.3 | Confident | 101 Ų | 101 | 72.2 Ų | 72.2 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | R375 Q376 E377 K382 L383 | R375-V379 WeakPolarHBondContact O-CG2 3.26Å; R375-V379 PolarHBondContact O-N 3.07Å; Q376-V379 PolarHBondContact O-N 2.85Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.39Å; V379-K382 PolarHBondContact O-N 3.31Å; V379-L383 WeakPolarHBondContact O-CB 3.31Å; V379-L383 PolarHBondContact O-N 2.88Å |
| 380 | A | 79.8 | Confident | 78.6 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q376 E377 K382 L383 Q384 | Q376-A380 PolarHBondContact O-N 2.86Å; E377-A380 PolarHBondContact O-N 2.87Å; A380-K382 PolarHBondContact O-N 2.84Å; A380-L383 PolarHBondContact O-N 3.04Å; A380-Q384 PolarHBondContact O-N 2.88Å |
| 381 | S | 79.1 | Confident | 78.2 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 22% | 0.217 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.5 | -49.3 | 176 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | E377 L383 Q384 N385 | E377-S381 VanDerWaalsContact O-CB 3.28Å; E377-S381 WeakPolarHBondContact O-CB 3.5Å; E377-S381 PolarHBondContact O-N 2.75Å; S381-L383 PolarHBondContact O-N 3.28Å; S381-Q384 PolarHBondContact O-N 3.26Å; S381-N385 PolarHBondContact O-N 3.38Å; S381-N385 PolarHBondContact O-ND2 2.84Å |
| 382 | K | 77.4 | Confident | 77.8 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | -179.4 | -73.9 | 169.7 | -177.6 | 169.8 | 0 | 112.6 | I378 V379 A380 Q384 N385 E386 Y421 E446 | I378-K382 HydrophobicContact CG2-CD 4.02Å; I378-K382 VanDerWaalsContact CG2-NZ 3.34Å; I378-K382 WeakPolarHBondContact O-CG 3.04Å; I378-K382 PolarHBondContact O-N 3.05Å; I378-K382 VanDerWaalsContact O-N 3.1Å; V379-K382 PolarHBondContact O-N 3.31Å; A380-K382 PolarHBondContact O-N 2.84Å; K382-Q384 VanDerWaalsContact C-N 3.32Å; K382-Q384 PolarHBondContact O-N 3.47Å; K382-N385 PolarHBondContact O-N 3.09Å; K382-E386 PolarHBondContact O-N 2.88Å; K382-E386 VanDerWaalsContact O-N 3.09Å; K382-Y421 HydrophobicContact CB-CE1 4.28Å; K382-Y421 HydrophobicContact CG-CE1 4.4Å; K382-Y421 PolarHBondContact O-OH 3.37Å; K382-E446 VanDerWaalsContact CE-OE1 3.24Å; K382-E446 WeakPolarHBondContact CE-OE1 3.36Å; K382-E446 IonicContact NZ-OE1 3.87Å |
| 383 | L | 79.8 | Confident | 77.3 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 175.6 | -177.2 | 65.4 | 0 | 0 | 0 | 112.7 | V379 A380 S381 K387 | V379-L383 WeakPolarHBondContact O-CB 3.31Å; V379-L383 PolarHBondContact O-N 2.88Å; A380-L383 PolarHBondContact O-N 3.04Å; S381-L383 PolarHBondContact O-N 3.28Å; L383-K387 WeakPolarHBondContact O-CG 3.13Å; L383-K387 PolarHBondContact O-N 3Å |
| 384 | Q | 77.1 | Confident | 76.8 | Confident | 87 Ų | 87 | 81 Ų | 81 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 176.3 | -174.7 | 61.1 | 15.1 | 0 | 0 | 111.6 | A380 S381 K382 E386 K387 E388 | A380-Q384 PolarHBondContact O-N 2.88Å; S381-Q384 PolarHBondContact O-N 3.26Å; K382-Q384 VanDerWaalsContact C-N 3.32Å; K382-Q384 PolarHBondContact O-N 3.47Å; Q384-E386 VanDerWaalsContact C-N 3.29Å; Q384-E386 PolarHBondContact O-N 2.79Å; Q384-K387 PolarHBondContact O-N 3.41Å; Q384-K387 VanDerWaalsContact O-N 3.15Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.39Å; Q384-E388 PolarHBondContact NE2-OE1 2.83Å; Q384-E388 PolarHBondContact O-N 2.72Å |
| 385 | N | 72 | Confident | 76.4 | Confident | 62 Ų | 62 | 85 Ų | 85 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.4 | -38 | 175.9 | -80.9 | -94.7 | 0 | 0 | 0 | 112.1 | S381 K382 A389 M424 | S381-N385 PolarHBondContact O-N 3.38Å; S381-N385 PolarHBondContact O-ND2 2.84Å; K382-N385 PolarHBondContact O-N 3.09Å; N385-A389 VanDerWaalsContact O-CB 3.27Å; N385-A389 WeakPolarHBondContact O-CB 3.17Å; N385-A389 PolarHBondContact O-N 2.59Å; N385-M424 HydrophobicContact CB-SD 4.18Å |
| 386 | E | 73 | Confident | 75.9 | Confident | 84 Ų | 84 | 83 Ų | 83 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.6 | -170.2 | 177.4 | -163.5 | 0 | 0 | 112.4 | K382 Q384 L390 | K382-E386 PolarHBondContact O-N 2.88Å; K382-E386 VanDerWaalsContact O-N 3.09Å; Q384-E386 VanDerWaalsContact C-N 3.29Å; Q384-E386 PolarHBondContact O-N 2.79Å; E386-L390 VanDerWaalsContact O-CB 3.25Å; E386-L390 WeakPolarHBondContact O-CB 3.35Å; E386-L390 PolarHBondContact O-N 3.42Å |
| 387 | K | 76.3 | Confident | 75.2 | Confident | 106 Ų | 106 | 80.5 Ų | 80.5 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.7 | -70.2 | 168.2 | -174.4 | 167.7 | 0 | 111.9 | L383 Q384 L390 Q391 | L383-K387 WeakPolarHBondContact O-CG 3.13Å; L383-K387 PolarHBondContact O-N 3Å; Q384-K387 PolarHBondContact O-N 3.41Å; Q384-K387 VanDerWaalsContact O-N 3.15Å; K387-L390 PolarHBondContact O-N 3.5Å; K387-Q391 WeakPolarHBondContact O-CG 3.33Å; K387-Q391 PolarHBondContact O-N 3.34Å |
| 388 | E | 75.8 | Confident | 74.6 | Confident | 96 Ų | 96 | 84.4 Ų | 84.4 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.2 | -48.5 | -179.6 | -72.5 | 175.1 | -170.1 | 0 | 0 | 110.8 | Q384 L390 Q391 D392 | Q384-E388 WeakPolarHBondContact CG-OE1 3.39Å; Q384-E388 PolarHBondContact NE2-OE1 2.83Å; Q384-E388 PolarHBondContact O-N 2.72Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 2.97Å; E388-Q391 PolarHBondContact O-N 2.94Å; E388-Q391 VanDerWaalsContact O-N 3.16Å; E388-D392 VanDerWaalsContact O-CB 3.31Å; E388-D392 WeakPolarHBondContact O-CB 3.41Å; E388-D392 PolarHBondContact O-N 3.43Å |
| 389 | A | 68.6 | Low | 74.3 | Confident | 36 Ų | 36 | 87 Ų | 87 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N385 Y393 L420 | N385-A389 VanDerWaalsContact O-CB 3.27Å; N385-A389 WeakPolarHBondContact O-CB 3.17Å; N385-A389 PolarHBondContact O-N 2.59Å; A389-Y393 VanDerWaalsContact O-CB 3.27Å; A389-Y393 WeakPolarHBondContact O-CB 3.38Å; A389-Y393 PolarHBondContact O-N 3.44Å; A389-L420 HydrophobicContact CB-CD2 3.81Å |
| 390 | L | 72.3 | Confident | 73.4 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 45% | 0.45 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 174.9 | -174.9 | 67.9 | 0 | 0 | 0 | 112.4 | E386 K387 E388 R394 | E386-L390 VanDerWaalsContact O-CB 3.25Å; E386-L390 WeakPolarHBondContact O-CB 3.35Å; E386-L390 PolarHBondContact O-N 3.42Å; K387-L390 PolarHBondContact O-N 3.5Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 2.97Å; L390-R394 WeakPolarHBondContact O-CB 3.37Å; L390-R394 WeakPolarHBondContact O-CG 3.43Å; L390-R394 PolarHBondContact O-N 3.07Å |
| 391 | Q | 74.1 | Confident | 72.5 | Confident | 139 Ų | 139 | 84.3 Ų | 84.3 | 65% | 0.65 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 173.3 | -76.7 | -174.8 | -4.7 | 0 | 0 | 111.2 | K387 E388 R394 Q395 | K387-Q391 WeakPolarHBondContact O-CG 3.33Å; K387-Q391 PolarHBondContact O-N 3.34Å; E388-Q391 PolarHBondContact O-N 2.94Å; E388-Q391 VanDerWaalsContact O-N 3.16Å; Q391-R394 PolarHBondContact O-N 2.78Å; Q391-Q395 WeakPolarHBondContact O-CB 3.38Å; Q391-Q395 PolarHBondContact O-N 3.19Å |
| 392 | D | 74.8 | Confident | 72.1 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 180 | -175.9 | 60.6 | 0 | 0 | 0 | 111.9 | E388 Q395 K396 | E388-D392 VanDerWaalsContact O-CB 3.31Å; E388-D392 WeakPolarHBondContact O-CB 3.41Å; E388-D392 PolarHBondContact O-N 3.43Å; D392-Q395 PolarHBondContact O-N 2.9Å; D392-K396 WeakPolarHBondContact O-CG 3.26Å; D392-K396 PolarHBondContact O-N 3.45Å; D392-K396 WeakPolarHBondContact OD1-CE 3.28Å; D392-K396 IonicContact OD1-NZ 2.67Å; D392-K396 PolarHBondContact OD1-NZ 3.43Å; D392-K396 IonicContact OD2-NZ 2.7Å; D392-K396 PolarHBondContact OD2-NZ 3.02Å |
| 393 | Y | 70.7 | Confident | 71.2 | Confident | 67 Ų | 67 | 85.8 Ų | 85.8 | 26% | 0.263 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 170.7 | -179.1 | -96.6 | 0 | 0 | 0 | 112.3 | A389 Q395 K396 F397 P408 | A389-Y393 VanDerWaalsContact O-CB 3.27Å; A389-Y393 WeakPolarHBondContact O-CB 3.38Å; A389-Y393 PolarHBondContact O-N 3.44Å; Y393-Q395 PolarHBondContact O-N 3.1Å; Y393-K396 PolarHBondContact O-N 3.1Å; Y393-F397 HydrophobicContact CE1-CD2 4.13Å; Y393-F397 AromaticContact CZ-CD2 3.97Å; Y393-F397 WeakPolarHBondContact O-CB 3.42Å; Y393-F397 PolarHBondContact O-N 2.89Å; Y393-P408 HydrophobicContact CD2-CB 4.46Å; Y393-P408 HydrophobicContact CD2-CG 4.26Å; Y393-P408 HydrophobicContact CE2-CB 4.15Å; Y393-P408 HydrophobicContact CE2-CG 3.83Å |
| 394 | R | 73.8 | Confident | 70.3 | Confident | 149 Ų | 149 | 89.5 Ų | 89.5 | 56% | 0.562 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.9 | -34.5 | 177.8 | -77.8 | 172.4 | 176.5 | -165.5 | -0 | 112.2 | L390 Q391 R398 | L390-R394 WeakPolarHBondContact O-CB 3.37Å; L390-R394 WeakPolarHBondContact O-CG 3.43Å; L390-R394 PolarHBondContact O-N 3.07Å; Q391-R394 PolarHBondContact O-N 2.78Å; R394-R398 WeakPolarHBondContact O-CG 3.45Å; R394-R398 PolarHBondContact O-N 2.86Å |
| 395 | Q | 74.2 | Confident | 69.7 | Low | 94 Ų | 94 | 89.6 Ų | 89.6 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.3 | -53.7 | 175 | 176.2 | 147.6 | -20 | 0 | 0 | 111.4 | Q391 D392 Y393 F397 R398 E399 | Q391-Q395 WeakPolarHBondContact O-CB 3.38Å; Q391-Q395 PolarHBondContact O-N 3.19Å; D392-Q395 PolarHBondContact O-N 2.9Å; Y393-Q395 PolarHBondContact O-N 3.1Å; Q395-F397 PolarHBondContact O-N 3.47Å; Q395-R398 WeakPolarHBondContact O-CB 3.43Å; Q395-R398 PolarHBondContact O-N 3.39Å; Q395-E399 HydrophobicContact CG-CG 4.41Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.46Å; Q395-E399 PolarHBondContact NE2-OE1 3.22Å; Q395-E399 WeakPolarHBondContact O-CG 3.38Å; Q395-E399 PolarHBondContact O-N 3.22Å |
| 396 | K | 72.5 | Confident | 69.3 | Low | 86 Ų | 86 | 96 Ų | 96 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -29.9 | 179.2 | -70.7 | 163.4 | -174.4 | 168.8 | 0 | 112.6 | D392 Y393 A400 P408 | D392-K396 WeakPolarHBondContact O-CG 3.26Å; D392-K396 PolarHBondContact O-N 3.45Å; D392-K396 WeakPolarHBondContact OD1-CE 3.28Å; D392-K396 IonicContact OD1-NZ 2.67Å; D392-K396 PolarHBondContact OD1-NZ 3.43Å; D392-K396 IonicContact OD2-NZ 2.7Å; D392-K396 PolarHBondContact OD2-NZ 3.02Å; Y393-K396 PolarHBondContact O-N 3.1Å; K396-A400 WeakPolarHBondContact O-CB 3.15Å; K396-A400 PolarHBondContact O-N 2.99Å; K396-P408 HydrophobicContact CB-CB 4.43Å; K396-P408 HydrophobicContact CB-CG 4.13Å |
| 397 | F | 69.5 | Low | 68.6 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 40% | 0.395 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 172.6 | -161.9 | -80.7 | 0 | 0 | 0 | 113 | Y393 Q395 T401 F407 | Y393-F397 HydrophobicContact CE1-CD2 4.13Å; Y393-F397 AromaticContact CZ-CD2 3.97Å; Y393-F397 WeakPolarHBondContact O-CB 3.42Å; Y393-F397 PolarHBondContact O-N 2.89Å; Q395-F397 PolarHBondContact O-N 3.47Å; F397-T401 WeakPolarHBondContact O-CB 3.46Å; F397-T401 PolarHBondContact O-N 3.48Å; F397-T401 PolarHBondContact O-OG1 3.49Å; F397-F407 HydrophobicContact CD1-CE1 4.25Å; F397-F407 HydrophobicContact CD2-CD1 4.08Å; F397-F407 HydrophobicContact CD2-CE1 4.41Å; F397-F407 HydrophobicContact CE1-CD1 4.45Å; F397-F407 AromaticContact CE1-CE1 3.87Å; F397-F407 HydrophobicContact CE1-CE1 3.87Å; F397-F407 AromaticContact CE2-CD1 3.83Å; F397-F407 HydrophobicContact CE2-CD1 3.83Å; F397-F407 HydrophobicContact CE2-CE1 4.05Å; F397-F407 HydrophobicContact CZ-CD1 4.02Å; F397-F407 AromaticContact CZ-CE1 3.76Å; F397-F407 HydrophobicContact CZ-CE1 3.76Å |
| 398 | R | 68.6 | Low | 68 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 173.5 | -71.8 | -178.6 | -60.4 | -127.3 | 2.5 | 111.3 | R394 Q395 A400 T401 A402 | R394-R398 WeakPolarHBondContact O-CG 3.45Å; R394-R398 PolarHBondContact O-N 2.86Å; Q395-R398 WeakPolarHBondContact O-CB 3.43Å; Q395-R398 PolarHBondContact O-N 3.39Å; R398-A400 VanDerWaalsContact C-N 3.34Å; R398-A400 PolarHBondContact O-N 3.43Å; R398-T401 WeakPolarHBondContact O-CB 3.08Å; R398-T401 PolarHBondContact O-N 3.34Å; R398-T401 VanDerWaalsContact O-N 3.14Å; R398-A402 PolarHBondContact O-N 3.36Å |
| 399 | E | 70.4 | Confident | 67.4 | Low | 66 Ų | 66 | 94 Ų | 94 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | -179.9 | -66.7 | 163 | 175.4 | 0 | 0 | 111.8 | Q395 A402 M404 I405 | Q395-E399 HydrophobicContact CG-CG 4.41Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.46Å; Q395-E399 PolarHBondContact NE2-OE1 3.22Å; Q395-E399 WeakPolarHBondContact O-CG 3.38Å; Q395-E399 PolarHBondContact O-N 3.22Å; E399-A402 PolarHBondContact O-N 2.97Å; E399-M404 PolarHBondContact O-N 2.82Å; E399-I405 HydrophobicContact CB-CD1 3.63Å; E399-I405 HydrophobicContact CB-CG1 4.06Å |
| 400 | A | 61.1 | Low | 67.2 | Low | 5 Ų | 5 | 98.4 Ų | 98.4 | 4% | 0.041 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67 | -37.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | K396 R398 A402 G403 I405 F407 | K396-A400 WeakPolarHBondContact O-CB 3.15Å; K396-A400 PolarHBondContact O-N 2.99Å; R398-A400 VanDerWaalsContact C-N 3.34Å; R398-A400 PolarHBondContact O-N 3.43Å; A400-A402 PolarHBondContact O-N 3.1Å; A400-G403 PolarHBondContact O-N 3.08Å; A400-I405 VanDerWaalsContact CA-O 3.29Å; A400-I405 WeakPolarHBondContact CA-O 3.21Å; A400-I405 WeakPolarHBondContact CB-O 3.28Å; A400-F407 HydrophobicContact CB-CB 4.48Å; A400-F407 HydrophobicContact CB-CD1 3.87Å; A400-F407 HydrophobicContact CB-CE1 4.17Å; A400-F407 HydrophobicContact CB-CG 4.05Å |
| 401 | T | 61.3 | Low | 66.8 | Low | 89 Ų | 89 | 101 Ų | 101 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -28.9 | 176.7 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | F397 R398 G403 F407 | F397-T401 WeakPolarHBondContact O-CB 3.46Å; F397-T401 PolarHBondContact O-N 3.48Å; F397-T401 PolarHBondContact O-OG1 3.49Å; R398-T401 WeakPolarHBondContact O-CB 3.08Å; R398-T401 PolarHBondContact O-N 3.34Å; R398-T401 VanDerWaalsContact O-N 3.14Å; T401-G403 PolarHBondContact O-N 2.88Å; T401-F407 WeakPolarHBondContact OG1-CE1 3.46Å |
| 402 | A | 70.8 | Confident | 66 | Low | 73 Ų | 73 | 96.5 Ų | 96.5 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R398 E399 A400 M404 | R398-A402 PolarHBondContact O-N 3.36Å; E399-A402 PolarHBondContact O-N 2.97Å; A400-A402 PolarHBondContact O-N 3.1Å; A402-M404 VanDerWaalsContact C-N 3.27Å; A402-M404 PolarHBondContact O-N 3.19Å |
| 403 | G | 58 | Low | 65.3 | Low | 67 Ų | 67 | 96.7 Ų | 96.7 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -0.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A400 T401 | A400-G403 PolarHBondContact O-N 3.08Å; T401-G403 PolarHBondContact O-N 2.88Å |
| 404 | M | 62.5 | Low | 64.8 | Low | 165 Ų | 165 | 99.8 Ų | 99.8 | 81% | 0.813 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -74.6 | -24 | -177.4 | -65.9 | -70.6 | -178 | 0 | 0 | 113.3 | E399 A402 | E399-M404 PolarHBondContact O-N 2.82Å; A402-M404 VanDerWaalsContact C-N 3.27Å; A402-M404 PolarHBondContact O-N 3.19Å |
| 405 | I | 63.8 | Low | 64.2 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -144.9 | 160 | -177 | -13.2 | 175.8 | 0 | 0 | 0 | 110.8 | E399 A400 | E399-I405 HydrophobicContact CB-CD1 3.63Å; E399-I405 HydrophobicContact CB-CG1 4.06Å; A400-I405 VanDerWaalsContact CA-O 3.29Å; A400-I405 WeakPolarHBondContact CA-O 3.21Å; A400-I405 WeakPolarHBondContact CB-O 3.28Å |
| 406 | K | 62.7 | Low | 63.1 | Low | 197 Ų | 197 | 99.9 Ų | 99.9 | 86% | 0.857 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 144.9 | 167.3 | -66.2 | -178.3 | 179.5 | 178.9 | 0 | 109.8 | ||
| 407 | F | 59.6 | Low | 62.2 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 131.7 | -178.4 | -81.9 | -81.9 | 0 | 0 | 0 | 112.6 | F397 A400 T401 | F397-F407 HydrophobicContact CD1-CE1 4.25Å; F397-F407 HydrophobicContact CD2-CD1 4.08Å; F397-F407 HydrophobicContact CD2-CE1 4.41Å; F397-F407 HydrophobicContact CE1-CD1 4.45Å; F397-F407 AromaticContact CE1-CE1 3.87Å; F397-F407 HydrophobicContact CE1-CE1 3.87Å; F397-F407 AromaticContact CE2-CD1 3.83Å; F397-F407 HydrophobicContact CE2-CD1 3.83Å; F397-F407 HydrophobicContact CE2-CE1 4.05Å; F397-F407 HydrophobicContact CZ-CD1 4.02Å; F397-F407 AromaticContact CZ-CE1 3.76Å; F397-F407 HydrophobicContact CZ-CE1 3.76Å; A400-F407 HydrophobicContact CB-CB 4.48Å; A400-F407 HydrophobicContact CB-CD1 3.87Å; A400-F407 HydrophobicContact CB-CE1 4.17Å; A400-F407 HydrophobicContact CB-CG 4.05Å; T401-F407 WeakPolarHBondContact OG1-CE1 3.46Å |
| 408 | P | 62.7 | Low | 61.6 | Low | 28 Ų | 28 | 102.5 Ų | 102.5 | 18% | 0.182 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 138.2 | -177 | 27.7 | -34.6 | 0 | 0 | 0 | 111.8 | Y393 K396 | Y393-P408 HydrophobicContact CD2-CB 4.46Å; Y393-P408 HydrophobicContact CD2-CG 4.26Å; Y393-P408 HydrophobicContact CE2-CB 4.15Å; Y393-P408 HydrophobicContact CE2-CG 3.83Å; K396-P408 HydrophobicContact CB-CB 4.43Å; K396-P408 HydrophobicContact CB-CG 4.13Å |
| 409 | P | 64.4 | Low | 61.6 | Low | 100 Ų | 100 | 97.3 Ų | 97.3 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 140.3 | 173.8 | -24.8 | 34.2 | 0 | 0 | 0 | 112.5 | R411 | P409-R411 PolarHBondContact O-N 2.76Š|
| 410 | I | 63.8 | Low | 61.1 | Low | 127 Ų | 127 | 96 Ų | 96 | 65% | 0.651 | 52% | 0.518 | S | S | * | . | trans | -72.3 | 113.1 | 175.9 | -55.6 | 174.2 | 0 | 0 | 0 | 108.7 | ||||
| 411 | R | 63.6 | Low | 61.1 | Low | 141 Ų | 141 | 97.7 Ų | 97.7 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | trans | -76.4 | 142.1 | 166.6 | -71.5 | -173.3 | 172.6 | -154.3 | -4.2 | 109.6 | P409 N418 L420 | P409-R411 PolarHBondContact O-N 2.76Å; R411-N418 WeakPolarHBondContact CA-O 3.43Å; R411-L420 HydrophobicContact CB-CD1 4.32Å; R411-L420 HydrophobicContact CB-CG 4.19Å | ||
| 412 | T | 57.6 | Low | 61.1 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -111.5 | 143.8 | -177.6 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | N414 S416 N418 L420 | T412-N414 VanDerWaalsContact C-N 3.31Å; T412-N414 PolarHBondContact OG1-O 3.26Å; T412-S416 VanDerWaalsContact OG1-CB 3.24Å; T412-S416 WeakPolarHBondContact OG1-CB 3.46Å; T412-S416 PolarHBondContact OG1-OG 2.92Å; T412-N418 PolarHBondContact N-O 3.21Å; T412-L420 PolarHBondContact O-N 2.9Å; T412-L420 VanDerWaalsContact O-N 3.13Å |
| 413 | V | 60.3 | Low | 60.7 | Low | 82 Ų | 82 | 97.5 Ų | 97.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -74.5 | -21.8 | 172.1 | -175 | 0 | 0 | 0 | 0 | 111.8 | Y419 L420 | V413-Y419 VanDerWaalsContact O-CE2 3.26Å; V413-Y419 WeakPolarHBondContact O-CE2 3.38Å; V413-L420 HydrophobicContact CG2-CD1 4.12Å |
| 414 | N | 60.6 | Low | 60.8 | Low | 131 Ų | 131 | 96.4 Ų | 96.4 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -81.5 | 154.4 | 167.4 | -74.3 | -16 | 0 | 0 | 0 | 111.4 | T412 S416 | T412-N414 VanDerWaalsContact C-N 3.31Å; T412-N414 PolarHBondContact OG1-O 3.26Å; N414-S416 VanDerWaalsContact C-N 3.3Å; N414-S416 PolarHBondContact O-N 2.67Å |
| 415 | R | 60.3 | Low | 60.9 | Low | 194 Ų | 194 | 91.8 Ų | 91.8 | 73% | 0.732 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -67.8 | 81.2 | 178 | -84.5 | -173.9 | 170.6 | 179.8 | -4.9 | 112.4 | Y419 E425 | R415-Y419 HydrophobicContact CG-CD2 4.36Å; R415-Y419 HydrophobicContact CG-CE2 4.42Å; R415-Y419 HydrophobicContact CG-CG 4.42Å; R415-E425 IonicContact CZ-OE2 2.82Å; R415-E425 IonicContact NE-OE2 2.69Å; R415-E425 IonicContact NH2-OE1 3.68Å; R415-E425 IonicContact NH2-OE2 3.71Å; R415-E425 PolarHBondContact NH2-OE2 2.6Å |
| 416 | S | 50.1 | Low | 60.7 | Low | 52 Ų | 52 | 90.3 Ų | 90.3 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -105.3 | 168.3 | 164.3 | -38.6 | 0 | 0 | 0 | 0 | 108.6 | T412 N414 N418 Y419 | T412-S416 VanDerWaalsContact OG1-CB 3.24Å; T412-S416 WeakPolarHBondContact OG1-CB 3.46Å; T412-S416 PolarHBondContact OG1-OG 2.92Å; N414-S416 VanDerWaalsContact C-N 3.3Å; N414-S416 PolarHBondContact O-N 2.67Å; S416-N418 PolarHBondContact O-N 2.92Å; S416-Y419 WeakPolarHBondContact O-CB 3.29Å; S416-Y419 PolarHBondContact O-N 2.88Å |
| 417 | P | 54.4 | Low | 60.6 | Low | 137 Ų | 137 | 83.2 Ų | 83.2 | 89% | 0.89 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -13.4 | 178 | 21 | -33.1 | 0 | 0 | 0 | 115.6 | ||
| 418 | N | 56.6 | Low | 60.5 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 60.5 | 169.8 | -72.5 | -36.6 | 0 | 0 | 0 | 111.1 | R411 T412 S416 | R411-N418 WeakPolarHBondContact CA-O 3.43Å; T412-N418 PolarHBondContact N-O 3.21Å; S416-N418 PolarHBondContact O-N 2.92Å |
| 419 | Y | 68.3 | Low | 60.3 | Low | 45 Ų | 45 | 84 Ų | 84 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 140.1 | -179.5 | 173.6 | -124.3 | 0 | 0 | 0 | 112.6 | V413 R415 S416 Y421 A422 E425 | V413-Y419 VanDerWaalsContact O-CE2 3.26Å; V413-Y419 WeakPolarHBondContact O-CE2 3.38Å; R415-Y419 HydrophobicContact CG-CD2 4.36Å; R415-Y419 HydrophobicContact CG-CE2 4.42Å; R415-Y419 HydrophobicContact CG-CG 4.42Å; S416-Y419 WeakPolarHBondContact O-CB 3.29Å; S416-Y419 PolarHBondContact O-N 2.88Å; Y419-Y421 HydrophobicContact CE2-CD2 4.34Å; Y419-A422 HydrophobicContact CD1-CB 4.11Å; Y419-E425 WeakPolarHBondContact CE1-OE1 3.42Å; Y419-E425 PolarHBondContact OH-OE1 3.34Å; Y419-E425 VanDerWaalsContact OH-OE1 3.11Å |
| 420 | L | 60 | Low | 60 | Low | 40 Ų | 40 | 86.1 Ų | 86.1 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -33.4 | -168.8 | -136.5 | 154.8 | 0 | 0 | 0 | 114.4 | A389 R411 T412 V413 | A389-L420 HydrophobicContact CB-CD2 3.81Å; R411-L420 HydrophobicContact CB-CD1 4.32Å; R411-L420 HydrophobicContact CB-CG 4.19Å; T412-L420 PolarHBondContact O-N 2.9Å; T412-L420 VanDerWaalsContact O-N 3.13Å; V413-L420 HydrophobicContact CG2-CD1 4.12Å |
| 421 | Y | 62.2 | Low | 59.3 | Low | 39 Ų | 39 | 84.5 Ų | 84.5 | 15% | 0.153 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 15.7 | -179.4 | -63.5 | -80.4 | 0 | 0 | 0 | 114.1 | K382 Y419 D423 M424 E425 | K382-Y421 HydrophobicContact CB-CE1 4.28Å; K382-Y421 HydrophobicContact CG-CE1 4.4Å; K382-Y421 PolarHBondContact O-OH 3.37Å; Y419-Y421 HydrophobicContact CE2-CD2 4.34Å; Y421-D423 VanDerWaalsContact C-N 3.28Å; Y421-D423 PolarHBondContact O-N 3.42Å; Y421-M424 HydrophobicContact CD1-SD 3.85Å; Y421-M424 HydrophobicContact CE1-SD 4.33Å; Y421-M424 PolarHBondContact O-N 2.85Å; Y421-M424 VanDerWaalsContact O-N 3.1Å; Y421-E425 PolarHBondContact O-N 3.32Å |
| 422 | A | 61.6 | Low | 58.4 | Low | 45 Ų | 45 | 85.6 Ų | 85.6 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55 | -42.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y419 M424 E425 A426 | Y419-A422 HydrophobicContact CD1-CB 4.11Å; A422-M424 VanDerWaalsContact C-N 3.34Å; A422-M424 PolarHBondContact O-N 3.41Å; A422-E425 PolarHBondContact O-N 3Å; A422-A426 WeakPolarHBondContact O-CB 3.48Å; A422-A426 PolarHBondContact O-N 2.9Å |
| 423 | D | 60.6 | Low | 58.2 | Low | 114 Ų | 114 | 88.9 Ų | 88.9 | 61% | 0.61 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.1 | -32.2 | -179.3 | -54.6 | -48.7 | 0 | 0 | 0 | 112.3 | Y421 A427 | Y421-D423 VanDerWaalsContact C-N 3.28Å; Y421-D423 PolarHBondContact O-N 3.42Å; D423-A427 PolarHBondContact O-N 2.91Å; D423-A427 VanDerWaalsContact O-N 3.14Å |
| 424 | M | 62.1 | Low | 57.4 | Low | 44 Ų | 44 | 89.9 Ų | 89.9 | 22% | 0.217 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -78.7 | -38.8 | 175.9 | -62.3 | -171.7 | 98.7 | 0 | 0 | 112.4 | N385 Y421 A422 A426 A427 A428 | N385-M424 HydrophobicContact CB-SD 4.18Å; Y421-M424 HydrophobicContact CD1-SD 3.85Å; Y421-M424 HydrophobicContact CE1-SD 4.33Å; Y421-M424 PolarHBondContact O-N 2.85Å; Y421-M424 VanDerWaalsContact O-N 3.1Å; A422-M424 VanDerWaalsContact C-N 3.34Å; A422-M424 PolarHBondContact O-N 3.41Å; M424-A426 VanDerWaalsContact C-N 3.31Å; M424-A427 PolarHBondContact O-N 2.96Å; M424-A428 WeakPolarHBondContact O-CB 3.38Å; M424-A428 PolarHBondContact O-N 3.04Å |
| 425 | E | 64 | Low | 56.7 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 31% | 0.313 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 172.8 | -78.9 | -172.5 | -160.8 | 0 | 0 | 111.5 | R415 Y419 Y421 A422 A428 Q429 | R415-E425 IonicContact CZ-OE2 2.82Å; R415-E425 IonicContact NE-OE2 2.69Å; R415-E425 IonicContact NH2-OE1 3.68Å; R415-E425 IonicContact NH2-OE2 3.71Å; R415-E425 PolarHBondContact NH2-OE2 2.6Å; Y419-E425 WeakPolarHBondContact CE1-OE1 3.42Å; Y419-E425 PolarHBondContact OH-OE1 3.34Å; Y419-E425 VanDerWaalsContact OH-OE1 3.11Å; Y421-E425 PolarHBondContact O-N 3.32Å; A422-E425 PolarHBondContact O-N 3Å; E425-A428 PolarHBondContact O-N 3.42Å; E425-Q429 PolarHBondContact O-N 2.83Å; E425-Q429 VanDerWaalsContact O-N 3.14Å |
| 426 | A | 60 | Low | 56.4 | Low | 60 Ų | 60 | 83.7 Ų | 83.7 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | A422 M424 A428 Q429 | A422-A426 WeakPolarHBondContact O-CB 3.48Å; A422-A426 PolarHBondContact O-N 2.9Å; M424-A426 VanDerWaalsContact C-N 3.31Å; A426-A428 PolarHBondContact O-N 2.78Å; A426-Q429 PolarHBondContact O-N 2.77Å; A426-Q429 VanDerWaalsContact O-N 3.15Å |
| 427 | A | 59.6 | Low | 56.7 | Low | 48 Ų | 48 | 90.4 Ų | 90.4 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -24.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D423 M424 Q447 | D423-A427 PolarHBondContact O-N 2.91Å; D423-A427 VanDerWaalsContact O-N 3.14Å; M424-A427 PolarHBondContact O-N 2.96Å; A427-Q447 PolarHBondContact O-NE2 2.78Å |
| 428 | A | 56.7 | Low | 57 | Low | 19 Ų | 19 | 87.6 Ų | 87.6 | 16% | 0.157 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -83.4 | -13.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | M424 E425 A426 E446 K450 | M424-A428 WeakPolarHBondContact O-CB 3.38Å; M424-A428 PolarHBondContact O-N 3.04Å; E425-A428 PolarHBondContact O-N 3.42Å; A426-A428 PolarHBondContact O-N 2.78Å; A428-E446 HydrophobicContact CB-CB 4.26Å; A428-E446 HydrophobicContact CB-CG 4.42Å; A428-K450 PolarHBondContact O-NZ 2.81Å |
| 429 | Q | 59.3 | Low | 57.5 | Low | 141 Ų | 141 | 88.3 Ų | 88.3 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -91.6 | 96.7 | 170.4 | -71.5 | -172.5 | 4.5 | 0 | 0 | 110.4 | E425 A426 S431 | E425-Q429 PolarHBondContact O-N 2.83Å; E425-Q429 VanDerWaalsContact O-N 3.14Å; A426-Q429 PolarHBondContact O-N 2.77Å; A426-Q429 VanDerWaalsContact O-N 3.15Å; Q429-S431 PolarHBondContact O-N 3.35Å |
| 430 | W | 57.4 | Low | 57.3 | Low | 144 Ų | 144 | 90.4 Ų | 90.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | trans | -69.2 | 95.2 | 169 | -93.9 | -6.1 | 0 | 0 | 0 | 110.6 | L443 Q447 | W430-L443 HydrophobicContact CH2-CD2 4.1Å; W430-L443 HydrophobicContact CZ2-CD2 3.55Å; W430-Q447 HydrophobicContact CZ2-CB 4.46Å; W430-Q447 HydrophobicContact CZ2-CG 4.41Å; W430-Q447 VanDerWaalsContact NE1-CD 3.31Å | ||
| 431 | S | 49 | Very low | 57.7 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | trans | -72.6 | -38.2 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | Q429 | Q429-S431 PolarHBondContact O-N 3.35Š| ||
| 432 | H | 46.6 | Very low | 57.9 | Low | 164 Ų | 164 | 98.1 Ų | 98.1 | 76% | 0.759 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -146.6 | 133.7 | 178.9 | -53.8 | -61 | 0 | 0 | 0 | 111.9 | ||
| 433 | P | 52.3 | Low | 58.3 | Low | 114 Ų | 114 | 96.6 Ų | 96.6 | 74% | 0.74 | 55% | 0.55 | S | S | * | . | trans | -84.5 | 134.5 | 175.3 | 32.3 | -32.7 | 0 | 0 | 0 | 112.3 | ||||
| 434 | P | 44.2 | Very low | 58.8 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 67% | 0.669 | 53% | 0.534 | S | S | * | . | trans | -70.6 | 146.1 | 169.7 | -17.8 | 32.2 | 0 | 0 | 0 | 112.5 | G436 | P434-G436 PolarHBondContact O-N 3.09Š| ||
| 435 | S | 44.9 | Very low | 59.5 | Low | 143 Ų | 143 | 95.4 Ų | 95.4 | 100% | 1 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -81.6 | 50.5 | -178.6 | -175.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 436 | G | 54.8 | Low | 60.1 | Low | 52 Ų | 52 | 93.5 Ų | 93.5 | 54% | 0.536 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -155.7 | 167.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P434 V438 | P434-G436 PolarHBondContact O-N 3.09Å; G436-V438 PolarHBondContact O-N 2.67Å; G436-V438 VanDerWaalsContact O-N 3.15Å |
| 437 | E | 56 | Low | 60.7 | Low | 194 Ų | 194 | 91.6 Ų | 91.6 | 91% | 0.907 | 51% | 0.511 | S | S | * | . | trans | -66 | 110.5 | -177.6 | -66.1 | -172.8 | 133.6 | 0 | 0 | 112 | N439 | E437-N439 PolarHBondContact O-N 3.3Š| ||
| 438 | V | 61 | Low | 61.6 | Low | 78 Ų | 78 | 90.4 Ų | 90.4 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | trans | -86.3 | 98.4 | 178.5 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | G436 L443 | G436-V438 PolarHBondContact O-N 2.67Å; G436-V438 VanDerWaalsContact O-N 3.15Å; V438-L443 HydrophobicContact CG1-CD2 3.57Å; V438-L443 HydrophobicContact CG1-CG 4.26Å | ||
| 439 | N | 66.6 | Low | 62.7 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | trans | -63 | 137.6 | 175.6 | -101.9 | -56.2 | 0 | 0 | 0 | 111.8 | E437 S441 H442 | E437-N439 PolarHBondContact O-N 3.3Å; N439-S441 PolarHBondContact O-N 3.08Å; N439-H442 PolarHBondContact O-N 3.45Å | ||
| 440 | M | 63.7 | Low | 63.5 | Low | 88 Ų | 88 | 90.8 Ų | 90.8 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -62.2 | -21.2 | -170.6 | -163.7 | 174.4 | -171.8 | 0 | 0 | 113.8 | H442 L443 K448 L452 | M440-H442 VanDerWaalsContact C-N 3.27Å; M440-H442 PolarHBondContact O-N 2.81Å; M440-L443 HydrophobicContact CG-CD1 4.26Å; M440-L443 PolarHBondContact O-N 3.21Å; M440-K448 HydrophobicContact CE-CB 4.23Å; M440-K448 HydrophobicContact CE-CG 4.11Å; M440-K448 HydrophobicContact CG-CG 4.31Å; M440-K448 WeakPolarHBondContact O-CE 3.18Å; M440-L452 HydrophobicContact CE-CD1 4.26Å; M440-L452 HydrophobicContact CE-CD2 4.26Å; M440-L452 HydrophobicContact CE-CG 4.1Å |
| 441 | S | 69.2 | Low | 64.5 | Low | 90 Ų | 90 | 86.2 Ų | 86.2 | 63% | 0.629 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -59.3 | -31.7 | 170.9 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | N439 | N439-S441 PolarHBondContact O-N 3.08Š|
| 442 | H | 65.6 | Low | 65.9 | Low | 151 Ų | 151 | 82.8 Ų | 82.8 | 70% | 0.699 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -89 | -4.5 | -174.9 | -58.8 | -87.5 | 0 | 0 | 0 | 113.8 | N439 M440 | N439-H442 PolarHBondContact O-N 3.45Å; M440-H442 VanDerWaalsContact C-N 3.27Å; M440-H442 PolarHBondContact O-N 2.81Å |
| 443 | L | 70.8 | Confident | 67.3 | Low | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.073 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -83.5 | 138.8 | 179.2 | -62.3 | -178.9 | 0 | 0 | 0 | 111.6 | W430 V438 M440 Q447 K448 V451 | W430-L443 HydrophobicContact CH2-CD2 4.1Å; W430-L443 HydrophobicContact CZ2-CD2 3.55Å; V438-L443 HydrophobicContact CG1-CD2 3.57Å; V438-L443 HydrophobicContact CG1-CG 4.26Å; M440-L443 HydrophobicContact CG-CD1 4.26Å; M440-L443 PolarHBondContact O-N 3.21Å; L443-Q447 HydrophobicContact CB-CB 4.09Å; L443-Q447 HydrophobicContact CD2-CB 4.21Å; L443-K448 HydrophobicContact CB-CD 4.43Å; L443-K448 HydrophobicContact CB-CG 3.7Å; L443-K448 HydrophobicContact CD1-CG 4.26Å; L443-K448 WeakPolarHBondContact O-CE 3.39Å; L443-K448 PolarHBondContact O-NZ 3.48Å; L443-V451 HydrophobicContact CD1-CG2 4.23Å |
| 444 | T | 71 | Confident | 68.5 | Low | 46 Ų | 46 | 75.1 Ų | 75.1 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | trans | -64.3 | 161.7 | 165.6 | 79.1 | 0 | 0 | 0 | 0 | 110.2 | E446 Q447 K448 | T444-E446 VanDerWaalsContact C-N 3.29Å; T444-E446 PolarHBondContact O-N 3.41Å; T444-E446 PolarHBondContact OG1-OE2 3.2Å; T444-Q447 VanDerWaalsContact N-OE1 3.09Å; T444-Q447 WeakPolarHBondContact O-CB 3.28Å; T444-Q447 PolarHBondContact O-N 3.37Å; T444-Q447 VanDerWaalsContact O-N 3.07Å; T444-Q447 WeakPolarHBondContact OG1-CG 3.24Å; T444-Q447 PolarHBondContact OG1-N 2.86Å; T444-K448 WeakPolarHBondContact O-CG 3.41Å; T444-K448 PolarHBondContact O-N 3.19Å | ||
| 445 | W | 77.3 | Confident | 70.2 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | -178.7 | -65.2 | 114.6 | 0 | 0 | 0 | 112.3 | V374 E377 I378 Q447 K448 E449 | V374-W445 HydrophobicContact CG1-CE3 4.27Å; V374-W445 VanDerWaalsContact CG1-O 3.28Å; V374-W445 WeakPolarHBondContact CG1-O 3.4Å; V374-W445 HydrophobicContact CG2-CE3 4.23Å; V374-W445 HydrophobicContact CG2-CZ3 4.29Å; E377-W445 HydrophobicContact CB-CD2 4.09Å; E377-W445 HydrophobicContact CB-CE3 4.29Å; E377-W445 HydrophobicContact CB-CG 4.34Å; E377-W445 HydrophobicContact CG-CD2 3.62Å; E377-W445 HydrophobicContact CG-CE3 4.15Å; E377-W445 HydrophobicContact CG-CG 3.97Å; E377-W445 HydrophobicContact CG-CH2 4.25Å; E377-W445 HydrophobicContact CG-CZ2 3.72Å; E377-W445 HydrophobicContact CG-CZ3 4.44Å; I378-W445 HydrophobicContact CD1-CB 4.45Å; I378-W445 HydrophobicContact CG1-CB 3.53Å; W445-Q447 VanDerWaalsContact C-N 3.32Å; W445-Q447 PolarHBondContact O-N 3.34Å; W445-K448 HydrophobicContact CD2-CD 4.02Å; W445-K448 HydrophobicContact CE3-CD 3.32Å; W445-K448 HydrophobicContact CH2-CD 4.39Å; W445-K448 HydrophobicContact CZ3-CD 3.55Å; W445-K448 PolarHBondContact O-N 2.68Å; W445-E449 PolarHBondContact O-N 2.89Å |
| 446 | E | 75.1 | Confident | 71.9 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 171.6 | -63.2 | 77.8 | -173.1 | 0 | 0 | 113.1 | I378 K382 A428 T444 K450 | I378-E446 HydrophobicContact CD1-CG 4.39Å; I378-E446 HydrophobicContact CG1-CG 4.5Å; I378-E446 HydrophobicContact CG2-CG 4.45Å; K382-E446 VanDerWaalsContact CE-OE1 3.24Å; K382-E446 WeakPolarHBondContact CE-OE1 3.36Å; K382-E446 IonicContact NZ-OE1 3.87Å; A428-E446 HydrophobicContact CB-CB 4.26Å; A428-E446 HydrophobicContact CB-CG 4.42Å; T444-E446 VanDerWaalsContact C-N 3.29Å; T444-E446 PolarHBondContact O-N 3.41Å; T444-E446 PolarHBondContact OG1-OE2 3.2Å; E446-K450 WeakPolarHBondContact O-CG 3.12Å; E446-K450 PolarHBondContact O-N 2.74Å |
| 447 | Q | 73.3 | Confident | 72.9 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.5 | -38.7 | 175.9 | -65.9 | 163.5 | 7.3 | 0 | 0 | 110.8 | A427 W430 L443 T444 W445 E449 K450 V451 | A427-Q447 PolarHBondContact O-NE2 2.78Å; W430-Q447 HydrophobicContact CZ2-CB 4.46Å; W430-Q447 HydrophobicContact CZ2-CG 4.41Å; W430-Q447 VanDerWaalsContact NE1-CD 3.31Å; L443-Q447 HydrophobicContact CB-CB 4.09Å; L443-Q447 HydrophobicContact CD2-CB 4.21Å; T444-Q447 VanDerWaalsContact N-OE1 3.09Å; T444-Q447 WeakPolarHBondContact O-CB 3.28Å; T444-Q447 PolarHBondContact O-N 3.37Å; T444-Q447 VanDerWaalsContact O-N 3.07Å; T444-Q447 WeakPolarHBondContact OG1-CG 3.24Å; T444-Q447 PolarHBondContact OG1-N 2.86Å; W445-Q447 VanDerWaalsContact C-N 3.32Å; W445-Q447 PolarHBondContact O-N 3.34Å; Q447-E449 VanDerWaalsContact C-N 3.35Å; Q447-E449 PolarHBondContact O-N 2.84Å; Q447-K450 PolarHBondContact O-N 3.38Å; Q447-V451 WeakPolarHBondContact O-CG2 3.06Å; Q447-V451 PolarHBondContact O-N 3.04Å; Q447-V451 VanDerWaalsContact O-N 3.09Å |
| 448 | K | 78.1 | Confident | 74 | Confident | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.096 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 173.2 | -70 | 164.6 | 175.7 | 143.9 | 0 | 112.1 | V374 M440 L443 T444 W445 V451 L452 | V374-K448 HydrophobicContact CG1-CB 4.05Å; V374-K448 HydrophobicContact CG2-CB 4.37Å; M440-K448 HydrophobicContact CE-CB 4.23Å; M440-K448 HydrophobicContact CE-CG 4.11Å; M440-K448 HydrophobicContact CG-CG 4.31Å; M440-K448 WeakPolarHBondContact O-CE 3.18Å; L443-K448 HydrophobicContact CB-CD 4.43Å; L443-K448 HydrophobicContact CB-CG 3.7Å; L443-K448 HydrophobicContact CD1-CG 4.26Å; L443-K448 WeakPolarHBondContact O-CE 3.39Å; L443-K448 PolarHBondContact O-NZ 3.48Å; T444-K448 WeakPolarHBondContact O-CG 3.41Å; T444-K448 PolarHBondContact O-N 3.19Å; W445-K448 HydrophobicContact CD2-CD 4.02Å; W445-K448 HydrophobicContact CE3-CD 3.32Å; W445-K448 HydrophobicContact CH2-CD 4.39Å; W445-K448 HydrophobicContact CZ3-CD 3.55Å; W445-K448 PolarHBondContact O-N 2.68Å; K448-V451 PolarHBondContact O-N 2.9Å; K448-L452 WeakPolarHBondContact O-CG 3.49Å; K448-L452 PolarHBondContact O-N 3.02Å |
| 449 | E | 80.6 | Confident | 74.6 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.9 | -168 | -170.6 | 171.7 | 0 | 0 | 111.4 | L371 V374 R375 I378 W445 Q447 V451 L452 S453 | L371-E449 HydrophobicContact CD2-CG 4.18Å; V374-E449 HydrophobicContact CG1-CB 3.89Å; R375-E449 HydrophobicContact CG-CG 4.39Å; R375-E449 IonicContact CZ-OE1 3.56Å; R375-E449 IonicContact NE-OE1 2.67Å; R375-E449 PolarHBondContact NE-OE1 3.04Å; R375-E449 IonicContact NH2-OE1 3.51Å; R375-E449 PolarHBondContact NH2-OE1 3.15Å; I378-E449 HydrophobicContact CD1-CB 4Å; I378-E449 VanDerWaalsContact CD1-OE2 3.29Å; I378-E449 WeakPolarHBondContact CD1-OE2 3.17Å; W445-E449 PolarHBondContact O-N 2.89Å; Q447-E449 VanDerWaalsContact C-N 3.35Å; Q447-E449 PolarHBondContact O-N 2.84Å; E449-V451 PolarHBondContact O-N 3.02Å; E449-L452 PolarHBondContact O-N 2.86Å; E449-S453 VanDerWaalsContact O-CB 3.29Å; E449-S453 WeakPolarHBondContact O-CB 3.37Å; E449-S453 PolarHBondContact O-N 3.14Å; E449-S453 PolarHBondContact O-OG 3.24Å |
| 450 | K | 75.8 | Confident | 74.9 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 177 | -70.6 | 174.4 | -178.8 | 179.3 | 0 | 111.6 | A428 E446 Q447 S453 L454 | A428-K450 PolarHBondContact O-NZ 2.81Å; E446-K450 WeakPolarHBondContact O-CG 3.12Å; E446-K450 PolarHBondContact O-N 2.74Å; Q447-K450 PolarHBondContact O-N 3.38Å; K450-S453 PolarHBondContact O-N 2.72Å; K450-L454 WeakPolarHBondContact O-CB 3.22Å; K450-L454 PolarHBondContact O-N 3.27Å |
| 451 | V | 77.9 | Confident | 75.3 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 29% | 0.285 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | L443 Q447 K448 E449 L454 L455 | L443-V451 HydrophobicContact CD1-CG2 4.23Å; Q447-V451 WeakPolarHBondContact O-CG2 3.06Å; Q447-V451 PolarHBondContact O-N 3.04Å; Q447-V451 VanDerWaalsContact O-N 3.09Å; K448-V451 PolarHBondContact O-N 2.9Å; E449-V451 PolarHBondContact O-N 3.02Å; V451-L454 PolarHBondContact O-N 2.7Å; V451-L455 HydrophobicContact CG1-CD1 4.25Å; V451-L455 PolarHBondContact O-N 3.11Å |
| 452 | L | 79.3 | Confident | 75.1 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 176.9 | -73.5 | 173.3 | 0 | 0 | 0 | 112.3 | F367 A370 L371 V374 M440 K448 E449 L455 F456 | F367-L452 HydrophobicContact CD1-CD2 4.46Å; F367-L452 HydrophobicContact CE1-CD2 4.27Å; A370-L452 HydrophobicContact CB-CD1 4.22Å; L371-L452 HydrophobicContact CD2-CB 3.54Å; L371-L452 HydrophobicContact CG-CB 3.98Å; V374-L452 HydrophobicContact CG2-CD1 3.76Å; M440-L452 HydrophobicContact CE-CD1 4.26Å; M440-L452 HydrophobicContact CE-CD2 4.26Å; M440-L452 HydrophobicContact CE-CG 4.1Å; K448-L452 WeakPolarHBondContact O-CG 3.49Å; K448-L452 PolarHBondContact O-N 3.02Å; E449-L452 PolarHBondContact O-N 2.86Å; L452-L455 PolarHBondContact O-N 3.28Å; L452-F456 PolarHBondContact O-N 3.28Å |
| 453 | S | 76.1 | Confident | 74.1 | Confident | 42 Ų | 42 | 64 Ų | 64 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | L371 E449 K450 F456 A457 | L371-S453 WeakPolarHBondContact CD2-OG 3.41Å; E449-S453 VanDerWaalsContact O-CB 3.29Å; E449-S453 WeakPolarHBondContact O-CB 3.37Å; E449-S453 PolarHBondContact O-N 3.14Å; E449-S453 PolarHBondContact O-OG 3.24Å; K450-S453 PolarHBondContact O-N 2.72Å; S453-F456 PolarHBondContact O-N 3.17Å; S453-A457 WeakPolarHBondContact O-CB 3.41Å; S453-A457 PolarHBondContact O-N 3.11Å |
| 454 | L | 78.2 | Confident | 73 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.2 | -178 | 65.3 | 0 | 0 | 0 | 112.1 | K450 V451 A457 K458 E464 | K450-L454 WeakPolarHBondContact O-CB 3.22Å; K450-L454 PolarHBondContact O-N 3.27Å; V451-L454 PolarHBondContact O-N 2.7Å; L454-A457 PolarHBondContact O-N 2.88Å; L454-K458 VanDerWaalsContact O-CB 3.27Å; L454-K458 WeakPolarHBondContact O-CB 3.46Å; L454-K458 PolarHBondContact O-N 2.94Å; L454-E464 VanDerWaalsContact CD1-CD 3.45Å; L454-E464 HydrophobicContact CD1-CG 3.53Å; L454-E464 WeakPolarHBondContact CD1-OE1 3.35Å |
| 455 | L | 78.7 | Confident | 71.1 | Confident | 88 Ų | 88 | 83.5 Ų | 83.5 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 175.1 | -96.1 | 158 | 0 | 0 | 0 | 111.6 | F367 V451 L452 K458 M459 | F367-L455 HydrophobicContact CE1-CB 3.8Å; F367-L455 HydrophobicContact CZ-CB 4.22Å; V451-L455 HydrophobicContact CG1-CD1 4.25Å; V451-L455 PolarHBondContact O-N 3.11Å; L452-L455 PolarHBondContact O-N 3.28Å; L455-K458 PolarHBondContact O-N 2.91Å; L455-M459 WeakPolarHBondContact O-CB 3.42Å; L455-M459 PolarHBondContact O-N 3.49Å |
| 456 | F | 80.3 | Confident | 70.8 | Confident | 46 Ų | 46 | 83.4 Ų | 83.4 | 20% | 0.202 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.9 | -177.9 | -106.5 | 0 | 0 | 0 | 112.6 | E364 F367 H368 L452 S453 M459 N460 | E364-F456 HydrophobicContact CB-CE2 4.23Å; E364-F456 HydrophobicContact CG-CE2 4.11Å; F367-F456 HydrophobicContact CB-CB 4.29Å; F367-F456 HydrophobicContact CB-CD2 3.47Å; F367-F456 VanDerWaalsContact CB-CD2 3.47Å; F367-F456 HydrophobicContact CB-CE2 4.19Å; F367-F456 HydrophobicContact CB-CG 4.21Å; F367-F456 HydrophobicContact CD1-CB 4.27Å; F367-F456 HydrophobicContact CD2-CD2 4.42Å; F367-F456 HydrophobicContact CG-CB 4.32Å; F367-F456 HydrophobicContact CG-CD2 4.01Å; H368-F456 AromaticContact CE1-CE2 3.99Å; H368-F456 AromaticContact CE1-CZ 3.45Å; H368-F456 VanDerWaalsContact CE1-CZ 3.45Å; H368-F456 WeakPolarHBondContact CE1-CZ 3.34Å; H368-F456 AromaticContact ND1-CZ 3.97Å; L452-F456 PolarHBondContact O-N 3.28Å; S453-F456 PolarHBondContact O-N 3.17Å; F456-M459 PolarHBondContact O-N 2.73Å; F456-N460 WeakPolarHBondContact CE2-ND2 3.24Å; F456-N460 WeakPolarHBondContact CZ-ND2 3.4Å; F456-N460 PolarHBondContact O-N 3.02Å; F456-N460 VanDerWaalsContact O-N 3.15Å; F456-N460 PolarHBondContact O-ND2 2.79Å |
| 457 | A | 77.2 | Confident | 70.6 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 21% | 0.207 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S453 L454 M459 N460 G461 Q462 | S453-A457 WeakPolarHBondContact O-CB 3.41Å; S453-A457 PolarHBondContact O-N 3.11Å; L454-A457 PolarHBondContact O-N 2.88Å; A457-M459 VanDerWaalsContact C-N 3.34Å; A457-M459 PolarHBondContact O-N 2.78Å; A457-N460 CarbonylContact O-C 3.59Å; A457-N460 WeakPolarHBondContact O-CA 3.45Å; A457-N460 PolarHBondContact O-N 3.22Å; A457-G461 PolarHBondContact O-N 3.23Å; A457-Q462 CarbonylContact C-O 3.4Å; A457-Q462 HydrophobicContact CB-CB 4.2Å; A457-Q462 PolarHBondContact O-N 2.72Å |
| 458 | K | 78.3 | Confident | 70.5 | Confident | 164 Ų | 164 | 90 Ų | 90 | 71% | 0.713 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.1 | -40.2 | -179.8 | -169.3 | 168.7 | -172 | 167.5 | 0 | 112.4 | L454 L455 N460 G461 | L454-K458 VanDerWaalsContact O-CB 3.27Å; L454-K458 WeakPolarHBondContact O-CB 3.46Å; L454-K458 PolarHBondContact O-N 2.94Å; L455-K458 PolarHBondContact O-N 2.91Å; K458-N460 VanDerWaalsContact C-N 3.29Å; K458-N460 PolarHBondContact O-N 3.27Å; K458-G461 PolarHBondContact O-N 3.33Å |
| 459 | M | 73.4 | Confident | 70 | Confident | 81 Ų | 81 | 94 Ų | 94 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 176.1 | -146.5 | -178 | 68.2 | 0 | 0 | 112.5 | V363 F367 L455 F456 A457 G461 | V363-M459 HydrophobicContact CB-CE 3.95Å; V363-M459 HydrophobicContact CG1-CE 3.61Å; V363-M459 HydrophobicContact CG1-SD 3.7Å; F367-M459 HydrophobicContact CD2-CE 3.91Å; F367-M459 HydrophobicContact CD2-SD 4.12Å; F367-M459 HydrophobicContact CE2-CE 4.03Å; F367-M459 HydrophobicContact CE2-SD 3.6Å; F367-M459 VanDerWaalsContact CE2-SD 3.6Å; F367-M459 HydrophobicContact CZ-SD 4.5Å; L455-M459 WeakPolarHBondContact O-CB 3.42Å; L455-M459 PolarHBondContact O-N 3.49Å; F456-M459 PolarHBondContact O-N 2.73Å; A457-M459 VanDerWaalsContact C-N 3.34Å; A457-M459 PolarHBondContact O-N 2.78Å; M459-G461 VanDerWaalsContact C-N 3.29Å; M459-G461 PolarHBondContact O-N 2.72Å |
| 460 | N | 73.8 | Confident | 69.4 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 20% | 0.198 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.3 | 176 | -81.2 | -72.4 | 0 | 0 | 0 | 114.4 | R360 E364 F456 A457 K458 Q462 | R360-N460 PolarHBondContact NH2-OD1 3.02Å; E364-N460 PolarHBondContact OE1-OD1 2.96Å; F456-N460 WeakPolarHBondContact CE2-ND2 3.24Å; F456-N460 WeakPolarHBondContact CZ-ND2 3.4Å; F456-N460 PolarHBondContact O-N 3.02Å; F456-N460 VanDerWaalsContact O-N 3.15Å; F456-N460 PolarHBondContact O-ND2 2.79Å; A457-N460 CarbonylContact O-C 3.59Å; A457-N460 WeakPolarHBondContact O-CA 3.45Å; A457-N460 PolarHBondContact O-N 3.22Å; K458-N460 VanDerWaalsContact C-N 3.29Å; K458-N460 PolarHBondContact O-N 3.27Å; N460-Q462 VanDerWaalsContact C-N 3.33Å |
| 461 | G | 71.5 | Confident | 68.9 | Low | 61 Ų | 61 | 95.3 Ų | 95.3 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 14.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | A457 K458 M459 | A457-G461 PolarHBondContact O-N 3.23Å; K458-G461 PolarHBondContact O-N 3.33Å; M459-G461 VanDerWaalsContact C-N 3.29Å; M459-G461 PolarHBondContact O-N 2.72Å |
| 462 | Q | 64.9 | Low | 68.3 | Low | 136 Ų | 136 | 98.7 Ų | 98.7 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | trans | -89.2 | 104.8 | 173.2 | -64 | -174.6 | -0.4 | 0 | 0 | 109.3 | A457 N460 | A457-Q462 CarbonylContact C-O 3.4Å; A457-Q462 HydrophobicContact CB-CB 4.2Å; A457-Q462 PolarHBondContact O-N 2.72Å; N460-Q462 VanDerWaalsContact C-N 3.33Å | ||
| 463 | T | 45.2 | Very low | 67.4 | Low | 136 Ų | 136 | 104.7 Ų | 104.7 | 83% | 0.834 | 53% | 0.529 | S | S | * | . | trans | -79.3 | 152.3 | 173.9 | -22.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 464 | E | 47 | Very low | 66.7 | Low | 149 Ų | 149 | 109.9 Ų | 109.9 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | trans | -63.6 | 157.9 | -171.4 | -67.8 | 161.6 | 106.1 | 0 | 0 | 115.4 | L454 | L454-E464 VanDerWaalsContact CD1-CD 3.45Å; L454-E464 HydrophobicContact CD1-CG 3.53Å; L454-E464 WeakPolarHBondContact CD1-OE1 3.35Å | ||
| 465 | R | 32.1 | Very low | 65.7 | Low | 321 Ų | 321 | 113.1 Ų | 113.1 | 100% | 1.211 | 56% | 0.562 | S | S | * | * | trans | -138.5 | 0 | 157.6 | -95 | -167.9 | 175.6 | -175.5 | -0 | 109 |
Retrieved 465 of 465 residues in 110.1 ms
(Link to these results)