| 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 | 40.4 | Very low | 39.5 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 100% | 1.163 | 85% | 0.846 | S | S | * | * | 0 | 87.9 | 0 | -72 | 176 | 155.3 | 0 | 0 | 106.6 | |||||
| 2 | S | 39.3 | Very low | 39.5 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | 68.4 | 122.1 | 102.6 | -71 | 0 | 0 | 0 | 0 | 112 | |||||
| 3 | L | 40.1 | Very low | 39.5 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 70% | 0.696 | 84% | 0.84 | S | S | * | * | cis | -165.7 | 135.1 | 11.9 | -91.1 | 149.8 | 0 | 0 | 0 | 108.4 | ||||
| 4 | R | 41 | Very low | 39.2 | Very low | 221 Ų | 221 | 147 Ų | 147 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | 55.9 | 116.4 | 127.3 | -64.4 | -178.3 | -165.7 | -158.1 | 0.9 | 121.7 | |||||
| 5 | R | 35.8 | Very low | 39.2 | Very low | 253 Ų | 253 | 144 Ų | 144 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | trans | -61.6 | 140.7 | 142.1 | -68.7 | 176.8 | 173.1 | -157.4 | -3.5 | 110.5 | ||||
| 6 | S | 43.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -122.2 | 120.4 | 170 | 35.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | S | 36.6 | Very low | 38.9 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -76.7 | 142.9 | 163.4 | -27 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | S | 41.6 | Very low | 38.7 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -142.5 | 130.5 | 159.9 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | C | 35.9 | Very low | 38.6 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -76.3 | 167.4 | 175.6 | -65 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 10 | G | 39.6 | Very low | 38.4 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | trans | 159.8 | 88 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | N | 41.2 | Very low | 38.2 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | 81.8 | 139.7 | 85.3 | -93 | -4.9 | 0 | 0 | 0 | 115.2 | |||||
| 12 | L | 40.1 | Very low | 38.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | 87.9 | 126.9 | 162.6 | -54.2 | 133.9 | 0 | 0 | 0 | 114.3 | ||||
| 13 | S | 39.5 | Very low | 38 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | cis | -167.4 | 133.8 | 24.7 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 14 | C | 35.2 | Very low | 37.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | 47.6 | 130.7 | 104.9 | -85.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 15 | S | 38.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | cis | -170.4 | -162.5 | 11.5 | -71 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 16 | P | 39.5 | Very low | 38.3 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | -118.9 | 178 | -90.6 | 36.9 | -18.4 | 0 | 0 | 0 | 114.2 | |||||
| 17 | Q | 34.3 | Very low | 38.2 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -36.2 | 134.4 | 168.3 | -67.6 | 155.1 | -32.1 | 0 | 0 | 115.2 | ||||
| 18 | A | 35.6 | Very low | 38.9 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -124 | 95.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 19 | A | 35.3 | Very low | 39.2 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 119.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 20 | G | 34.9 | Very low | 39.5 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -119.9 | 84 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q22 | G20-Q22 PolarHBondContact O-N 3.11Å; G20-Q22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | E | 34.9 | Very low | 39.9 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 106.5 | 165.4 | -76.6 | 172.9 | 133.9 | 0 | 0 | 108.8 | A23 | E21-A23 PolarHBondContact O-N 2.82Š| ||
| 22 | Q | 37.4 | Very low | 40 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -79.5 | 96.8 | 162.3 | -77.5 | -174.6 | 0.2 | 0 | 0 | 108.4 | G20 | G20-Q22 PolarHBondContact O-N 3.11Å; G20-Q22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | A | 37.9 | Very low | 40.3 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60 | 130 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E21 S25 | E21-A23 PolarHBondContact O-N 2.82Å; A23-S25 PolarHBondContact O-N 3.41Å |
| 24 | K | 35 | Very low | 40.6 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119.8 | 172.6 | -68.1 | 171.6 | 176.5 | 177.4 | 0 | 110.6 | ||
| 25 | S | 40.2 | Very low | 41 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 125.6 | 157 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | A23 | A23-S25 PolarHBondContact O-N 3.41Š|
| 26 | P | 47.1 | Very low | 41.2 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.9 | 176.2 | 30 | -30 | 0 | 0 | 0 | 110.2 | ||
| 27 | S | 41.9 | Very low | 41.4 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 135.4 | 169.3 | -83.6 | 0 | 0 | 0 | 0 | 110.8 | R29 | S27-R29 PolarHBondContact O-N 3.32Š|
| 28 | P | 50.8 | Low | 41.9 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.8 | 174.2 | -3.6 | 19.1 | 0 | 0 | 0 | 109.5 | N30 | P28-N30 PolarHBondContact O-N 3.15Š|
| 29 | R | 48.7 | Very low | 42.5 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.8 | 167.9 | -73.9 | 175 | 170.6 | 178.9 | -3.9 | 109.4 | S27 F31 | S27-R29 PolarHBondContact O-N 3.32Å; R29-F31 PolarHBondContact O-N 2.97Å |
| 30 | N | 42.7 | Very low | 43.6 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -58.7 | 95.8 | 167 | -80.8 | -29.2 | 0 | 0 | 0 | 109.6 | P28 V32 | P28-N30 PolarHBondContact O-N 3.15Å; N30-V32 PolarHBondContact O-N 3.4Å | ||
| 31 | F | 46.5 | Very low | 44.7 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 105.6 | 160.2 | -101.6 | -90.9 | 0 | 0 | 0 | 107.3 | R29 F33 | R29-F31 PolarHBondContact O-N 2.97Å; F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.23Å | ||
| 32 | V | 44.6 | Very low | 46.6 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 93.5 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | N30 N34 | N30-V32 PolarHBondContact O-N 3.4Å; V32-N34 PolarHBondContact O-N 3.34Å | ||
| 33 | F | 46.3 | Very low | 48.4 | Very low | 175 Ų | 175 | 143 Ų | 143 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | trans | -77.3 | 118.6 | 166 | -113.7 | -87.8 | 0 | 0 | 0 | 108.3 | F31 R35 | F31-F33 VanDerWaalsContact C-N 3.32Å; F31-F33 PolarHBondContact O-N 3.23Å; F33-R35 PolarHBondContact O-N 3.07Å | ||
| 34 | N | 45.8 | Very low | 50.4 | Low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -46.2 | 130.8 | 170 | -106.3 | -18.3 | 0 | 0 | 0 | 110.2 | V32 L36 | V32-N34 PolarHBondContact O-N 3.34Å; N34-L36 PolarHBondContact O-N 2.94Å | ||
| 35 | R | 42.5 | Very low | 52.5 | Low | 250 Ų | 250 | 136.8 Ų | 136.8 | 94% | 0.943 | 75% | 0.746 | S | S | * | * | trans | -53.9 | 108 | 174.8 | -67.6 | -179.8 | -169.1 | -157.5 | 1.5 | 109.4 | F33 | F33-R35 PolarHBondContact O-N 3.07Š| ||
| 36 | L | 43.9 | Very low | 54.5 | Low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -72.4 | 136.7 | 157.6 | -92.5 | 93.7 | 0 | 0 | 0 | 108.6 | N34 S38 | N34-L36 PolarHBondContact O-N 2.94Å; L36-S38 PolarHBondContact O-N 3.45Å | ||
| 37 | S | 43.6 | Very low | 56.3 | Low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -37.1 | 124.8 | 165.4 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | S39 | S37-S39 PolarHBondContact O-N 3.32Š| ||
| 38 | S | 43.9 | Very low | 58.5 | Low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -48 | 117.3 | 162.6 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | L36 | L36-S38 PolarHBondContact O-N 3.45Š|
| 39 | S | 49.8 | Very low | 60.2 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | 170.6 | 5.9 | 147.3 | 47.8 | 0 | 0 | 0 | 0 | 117.1 | S37 | S37-S39 PolarHBondContact O-N 3.32Š| ||
| 40 | L | 57 | Low | 62 | Low | 168 Ų | 168 | 126.1 Ų | 126.1 | 88% | 0.88 | 67% | 0.669 | S | S | * | * | trans | -109.6 | 79.2 | 171.1 | -81.6 | 97.9 | 0 | 0 | 0 | 112.7 | ||||
| 41 | N | 58.2 | Low | 64.3 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | trans | -84.8 | 110.1 | 160.7 | -79.1 | 8.2 | 0 | 0 | 0 | 108.1 | D43 | N41-D43 PolarHBondContact O-N 2.94Š| ||
| 42 | C | 74.2 | Confident | 66.4 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 43% | 0.432 | 64% | 0.641 | S | S | . | * | trans | -78.4 | 112.9 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | M44 C45 V46 | C42-M44 PolarHBondContact O-N 2.99Å; C42-M44 VanDerWaalsContact O-N 3.1Å; C42-C45 HydrophobicContact CB-CB 3.93Å; C42-C45 WeakPolarHBondContact O-CA 3.17Å; C42-C45 WeakPolarHBondContact O-CB 3.36Å; C42-C45 PolarHBondContact O-N 3.26Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-V46 PolarHBondContact O-N 3.07Å | ||
| 43 | D | 76.9 | Confident | 68.5 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -53.1 | -31.7 | 176.9 | -101.3 | -10.4 | 0 | 0 | 0 | 112.7 | N41 N47 | N41-D43 PolarHBondContact O-N 2.94Å; D43-N47 WeakPolarHBondContact O-CB 3.39Å; D43-N47 PolarHBondContact O-N 3.35Å; D43-N47 PolarHBondContact O-ND2 2.93Å |
| 44 | M | 78.5 | Confident | 70.7 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 46% | 0.458 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.7 | -41.2 | 175.4 | -75.8 | -88.5 | 44.6 | 0 | 0 | 112.3 | C42 N47 Y48 | C42-M44 PolarHBondContact O-N 2.99Å; C42-M44 VanDerWaalsContact O-N 3.1Å; M44-N47 HydrophobicContact CE-CB 3.98Å; M44-N47 PolarHBondContact O-N 2.93Å; M44-Y48 HydrophobicContact CB-CD2 4.47Å; M44-Y48 HydrophobicContact CB-CE2 4.32Å; M44-Y48 HydrophobicContact CE-CD2 4.3Å; M44-Y48 HydrophobicContact CE-CE2 3.88Å; M44-Y48 WeakPolarHBondContact O-CD2 3.37Å; M44-Y48 PolarHBondContact O-N 3.17Å; M44-Y48 HydrophobicContact SD-CE2 4.44Å |
| 45 | C | 80.5 | Confident | 72.9 | Confident | 77 Ų | 77 | 118.6 Ų | 118.6 | 52% | 0.52 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -42.3 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | C42 N47 Y48 E49 | C42-C45 HydrophobicContact CB-CB 3.93Å; C42-C45 WeakPolarHBondContact O-CA 3.17Å; C42-C45 WeakPolarHBondContact O-CB 3.36Å; C42-C45 PolarHBondContact O-N 3.26Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-N47 VanDerWaalsContact C-N 3.33Å; C45-N47 PolarHBondContact O-N 3.35Å; C45-Y48 PolarHBondContact O-N 3.4Å; C45-E49 VanDerWaalsContact O-CB 3.27Å; C45-E49 WeakPolarHBondContact O-CB 3.46Å; C45-E49 PolarHBondContact O-N 3.36Å |
| 46 | V | 82.1 | Confident | 75.3 | Confident | 69 Ų | 69 | 111.8 Ų | 111.8 | 42% | 0.418 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.4 | -41.8 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | C42 E49 S50 | C42-V46 PolarHBondContact O-N 3.07Å; V46-E49 PolarHBondContact O-N 3.35Å; V46-S50 WeakPolarHBondContact O-CB 3.43Å; V46-S50 PolarHBondContact O-N 3.37Å |
| 47 | N | 85.2 | Confident | 77.6 | Confident | 84 Ų | 84 | 109.6 Ų | 109.6 | 45% | 0.449 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -40.5 | 175.9 | -80 | -50.5 | 0 | 0 | 0 | 113.2 | D43 M44 C45 R51 | D43-N47 WeakPolarHBondContact O-CB 3.39Å; D43-N47 PolarHBondContact O-N 3.35Å; D43-N47 PolarHBondContact O-ND2 2.93Å; M44-N47 HydrophobicContact CE-CB 3.98Å; M44-N47 PolarHBondContact O-N 2.93Å; C45-N47 VanDerWaalsContact C-N 3.33Å; C45-N47 PolarHBondContact O-N 3.35Å; N47-R51 WeakPolarHBondContact O-CG 3.32Å; N47-R51 PolarHBondContact O-N 3.44Å |
| 48 | Y | 86.3 | Confident | 80 | Confident | 144 Ų | 144 | 107.2 Ų | 107.2 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -39.9 | 174.7 | -76.6 | -62.7 | 0 | 0 | 0 | 111.8 | M44 C45 R51 L52 | M44-Y48 HydrophobicContact CB-CD2 4.47Å; M44-Y48 HydrophobicContact CB-CE2 4.32Å; M44-Y48 HydrophobicContact CE-CD2 4.3Å; M44-Y48 HydrophobicContact CE-CE2 3.88Å; M44-Y48 WeakPolarHBondContact O-CD2 3.37Å; M44-Y48 PolarHBondContact O-N 3.17Å; M44-Y48 HydrophobicContact SD-CE2 4.44Å; C45-Y48 PolarHBondContact O-N 3.4Å; Y48-R51 PolarHBondContact O-N 3.35Å; Y48-L52 VanDerWaalsContact O-CB 3.27Å; Y48-L52 WeakPolarHBondContact O-CB 3.38Å; Y48-L52 PolarHBondContact O-N 2.88Å |
| 49 | E | 86.8 | Confident | 82.4 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.4 | -171.1 | 172.7 | -168.9 | 0 | 0 | 111.1 | C45 V46 L52 Q53 | C45-E49 VanDerWaalsContact O-CB 3.27Å; C45-E49 WeakPolarHBondContact O-CB 3.46Å; C45-E49 PolarHBondContact O-N 3.36Å; V46-E49 PolarHBondContact O-N 3.35Å; E49-L52 PolarHBondContact O-N 3.16Å; E49-Q53 WeakPolarHBondContact O-CB 3.44Å; E49-Q53 VanDerWaalsContact O-CG 3.29Å; E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 2.94Å |
| 50 | S | 87.4 | Confident | 84.5 | Confident | 49 Ų | 49 | 109.4 Ų | 109.4 | 34% | 0.343 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.5 | -176 | 0 | 0 | 0 | 0 | 112.5 | V46 L52 Q53 Q54 | V46-S50 WeakPolarHBondContact O-CB 3.43Å; V46-S50 PolarHBondContact O-N 3.37Å; S50-L52 PolarHBondContact O-N 2.94Å; S50-Q53 PolarHBondContact O-N 2.97Å; S50-Q54 WeakPolarHBondContact O-CG 3.45Å; S50-Q54 PolarHBondContact O-N 2.74Å |
| 51 | R | 91.1 | Very high | 86.3 | Confident | 142 Ų | 142 | 108.4 Ų | 108.4 | 54% | 0.536 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.3 | -77.7 | 179.1 | -177 | 167.3 | 1.9 | 112 | N47 Y48 Q54 Y55 | N47-R51 WeakPolarHBondContact O-CG 3.32Å; N47-R51 PolarHBondContact O-N 3.44Å; Y48-R51 PolarHBondContact O-N 3.35Å; R51-Q54 WeakPolarHBondContact O-CB 3.33Å; R51-Q54 PolarHBondContact O-N 3.35Å; R51-Y55 HydrophobicContact CB-CE2 4.44Å; R51-Y55 WeakPolarHBondContact O-CD2 3.44Å; R51-Y55 PolarHBondContact O-N 3.23Å |
| 52 | L | 89.6 | Confident | 88 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.1 | -176.6 | 66.2 | 0 | 0 | 0 | 111.2 | Y48 E49 S50 Y55 Q56 | Y48-L52 VanDerWaalsContact O-CB 3.27Å; Y48-L52 WeakPolarHBondContact O-CB 3.38Å; Y48-L52 PolarHBondContact O-N 2.88Å; E49-L52 PolarHBondContact O-N 3.16Å; S50-L52 PolarHBondContact O-N 2.94Å; L52-Y55 PolarHBondContact O-N 3.05Å; L52-Q56 WeakPolarHBondContact O-CB 3.36Å; L52-Q56 VanDerWaalsContact O-CG 3.29Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.96Å |
| 53 | Q | 90.2 | Very high | 89 | Confident | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.1 | -73.7 | 174.1 | 2 | 0 | 0 | 111.4 | E49 S50 Y55 Q56 E57 | E49-Q53 WeakPolarHBondContact O-CB 3.44Å; E49-Q53 VanDerWaalsContact O-CG 3.29Å; E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 2.94Å; S50-Q53 PolarHBondContact O-N 2.97Å; Q53-Y55 PolarHBondContact O-N 3.46Å; Q53-Q56 PolarHBondContact O-N 3.47Å; Q53-E57 WeakPolarHBondContact O-CB 3.5Å; Q53-E57 PolarHBondContact O-N 3.33Å |
| 54 | Q | 91.8 | Very high | 89.9 | Confident | 121 Ų | 121 | 110 Ų | 110 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | 174.3 | -72.8 | 173.7 | 2.8 | 0 | 0 | 112.2 | S50 R51 E57 S58 | S50-Q54 WeakPolarHBondContact O-CG 3.45Å; S50-Q54 PolarHBondContact O-N 2.74Å; R51-Q54 WeakPolarHBondContact O-CB 3.33Å; R51-Q54 PolarHBondContact O-N 3.35Å; Q54-E57 PolarHBondContact O-N 3.34Å; Q54-S58 WeakPolarHBondContact O-CB 3.37Å; Q54-S58 PolarHBondContact O-N 2.95Å |
| 55 | Y | 92 | Very high | 90.7 | Very high | 163 Ų | 163 | 111 Ų | 111 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 175.8 | -76.1 | -57.9 | 0 | 0 | 0 | 112 | R51 L52 Q53 E57 S58 E59 | R51-Y55 HydrophobicContact CB-CE2 4.44Å; R51-Y55 WeakPolarHBondContact O-CD2 3.44Å; R51-Y55 PolarHBondContact O-N 3.23Å; L52-Y55 PolarHBondContact O-N 3.05Å; Q53-Y55 PolarHBondContact O-N 3.46Å; Y55-E57 VanDerWaalsContact C-N 3.31Å; Y55-E57 PolarHBondContact O-N 3.49Å; Y55-S58 WeakPolarHBondContact CA-OG 3.37Å; Y55-S58 PolarHBondContact O-N 2.93Å; Y55-S58 PolarHBondContact O-OG 3.34Å; Y55-E59 WeakPolarHBondContact O-CB 3.34Å; Y55-E59 PolarHBondContact O-N 2.89Å |
| 56 | Q | 92.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 112.1 Ų | 112.1 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.4 | -74 | 174.6 | -15 | 0 | 0 | 112 | L52 Q53 E59 R60 | L52-Q56 WeakPolarHBondContact O-CB 3.36Å; L52-Q56 VanDerWaalsContact O-CG 3.29Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.96Å; Q53-Q56 PolarHBondContact O-N 3.47Å; Q56-E59 PolarHBondContact O-N 3.17Å; Q56-R60 WeakPolarHBondContact O-CB 3.47Å; Q56-R60 PolarHBondContact O-N 2.86Å |
| 57 | E | 92.6 | Very high | 92.1 | Very high | 104 Ų | 104 | 112 Ų | 112 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 176.4 | -156.2 | -179.4 | 155.3 | 0 | 0 | 111.5 | Q53 Q54 Y55 R60 R61 | Q53-E57 WeakPolarHBondContact O-CB 3.5Å; Q53-E57 PolarHBondContact O-N 3.33Å; Q54-E57 PolarHBondContact O-N 3.34Å; Y55-E57 VanDerWaalsContact C-N 3.31Å; Y55-E57 PolarHBondContact O-N 3.49Å; E57-R60 PolarHBondContact O-N 3.13Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.9Å; E57-R61 IonicContact OE1-CZ 3.25Å; E57-R61 IonicContact OE1-NE 2.67Å; E57-R61 IonicContact OE1-NH2 3.07Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å |
| 58 | S | 93.7 | Very high | 92.6 | Very high | 52 Ų | 52 | 112.1 Ų | 112.1 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 173.3 | 78 | 0 | 0 | 0 | 0 | 112.4 | Q54 Y55 R61 L62 | Q54-S58 WeakPolarHBondContact O-CB 3.37Å; Q54-S58 PolarHBondContact O-N 2.95Å; Y55-S58 WeakPolarHBondContact CA-OG 3.37Å; Y55-S58 PolarHBondContact O-N 2.93Å; Y55-S58 PolarHBondContact O-OG 3.34Å; S58-R61 PolarHBondContact O-N 3.09Å; S58-L62 WeakPolarHBondContact O-CG 3.44Å; S58-L62 PolarHBondContact O-N 3.03Å |
| 59 | E | 93.7 | Very high | 93.1 | Very high | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.2 | -170.4 | -169.9 | 171.2 | 0 | 0 | 110.6 | Y55 Q56 R61 L62 R63 | Y55-E59 WeakPolarHBondContact O-CB 3.34Å; Y55-E59 PolarHBondContact O-N 2.89Å; Q56-E59 PolarHBondContact O-N 3.17Å; E59-R61 VanDerWaalsContact C-N 3.35Å; E59-R61 PolarHBondContact O-N 2.88Å; E59-L62 PolarHBondContact O-N 3.48Å; E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 VanDerWaalsContact O-CG 3.27Å; E59-R63 WeakPolarHBondContact O-CG 3.46Å; E59-R63 PolarHBondContact O-N 3.1Å; E59-R63 IonicContact OE1-CZ 3.49Å; E59-R63 IonicContact OE1-NE 3.51Å; E59-R63 PolarHBondContact OE1-NE 3.35Å; E59-R63 IonicContact OE1-NH2 2.91Å; E59-R63 PolarHBondContact OE1-NH2 3.39Å |
| 60 | R | 93.6 | Very high | 93.5 | Very high | 177 Ų | 177 | 110.1 Ų | 110.1 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175.6 | -167.4 | 177.1 | -175.5 | 172 | 1.6 | 111.6 | Q56 E57 R63 Q64 | Q56-R60 WeakPolarHBondContact O-CB 3.47Å; Q56-R60 PolarHBondContact O-N 2.86Å; E57-R60 PolarHBondContact O-N 3.13Å; R60-R63 PolarHBondContact O-N 3.48Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.21Å |
| 61 | R | 94.8 | Very high | 93.9 | Very high | 147 Ų | 147 | 112.7 Ų | 112.7 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 175.3 | -72.2 | 176.5 | -168 | -167.3 | 5.6 | 111.8 | E57 S58 E59 Q64 Q65 | E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.9Å; E57-R61 IonicContact OE1-CZ 3.25Å; E57-R61 IonicContact OE1-NE 2.67Å; E57-R61 IonicContact OE1-NH2 3.07Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; S58-R61 PolarHBondContact O-N 3.09Å; E59-R61 VanDerWaalsContact C-N 3.35Å; E59-R61 PolarHBondContact O-N 2.88Å; R61-Q64 PolarHBondContact O-N 3.09Å; R61-Q65 WeakPolarHBondContact O-CG 3.24Å; R61-Q65 PolarHBondContact O-N 2.91Å |
| 62 | L | 95 | Very high | 94.2 | Very high | 111 Ų | 111 | 109 Ų | 109 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 176.8 | -74.6 | 170.2 | 0 | 0 | 0 | 112.1 | S58 E59 Q65 L66 | S58-L62 WeakPolarHBondContact O-CG 3.44Å; S58-L62 PolarHBondContact O-N 3.03Å; E59-L62 PolarHBondContact O-N 3.48Å; L62-Q65 PolarHBondContact O-N 2.92Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.44Å |
| 63 | R | 95 | Very high | 94.5 | Very high | 158 Ų | 158 | 108.5 Ų | 108.5 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 173.7 | -75.1 | 175.5 | 180 | -134.6 | 5.9 | 111.3 | E59 R60 L66 T67 | E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 VanDerWaalsContact O-CG 3.27Å; E59-R63 WeakPolarHBondContact O-CG 3.46Å; E59-R63 PolarHBondContact O-N 3.1Å; E59-R63 IonicContact OE1-CZ 3.49Å; E59-R63 IonicContact OE1-NE 3.51Å; E59-R63 PolarHBondContact OE1-NE 3.35Å; E59-R63 IonicContact OE1-NH2 2.91Å; E59-R63 PolarHBondContact OE1-NH2 3.39Å; R60-R63 PolarHBondContact O-N 3.48Å; R63-L66 PolarHBondContact O-N 2.93Å; R63-T67 WeakPolarHBondContact O-CG2 3.5Å; R63-T67 PolarHBondContact O-N 2.95Å; R63-T67 PolarHBondContact O-OG1 3.01Å |
| 64 | Q | 95.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 108.3 Ų | 108.3 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 173.9 | -75.9 | 173.6 | -15.7 | 0 | 0 | 111.4 | R60 R61 L66 T67 T68 | R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.21Å; R61-Q64 PolarHBondContact O-N 3.09Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.49Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.37Å; Q64-T67 PolarHBondContact O-N 3.41Å; Q64-T67 PolarHBondContact O-OG1 3.23Å; Q64-T68 WeakPolarHBondContact O-CG2 3.39Å; Q64-T68 PolarHBondContact O-N 3Å; Q64-T68 PolarHBondContact O-OG1 2.89Å |
| 65 | Q | 96.1 | Very high | 94.9 | Very high | 114 Ų | 114 | 107.6 Ų | 107.6 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.1 | -74.2 | 177.7 | -17.7 | 0 | 0 | 112.2 | R61 L62 T67 T68 L69 | R61-Q65 WeakPolarHBondContact O-CG 3.24Å; R61-Q65 PolarHBondContact O-N 2.91Å; L62-Q65 PolarHBondContact O-N 2.92Å; Q65-T67 PolarHBondContact O-N 2.88Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.24Å; Q65-T68 PolarHBondContact O-N 2.94Å; Q65-T68 PolarHBondContact O-OG1 3.43Å; Q65-L69 WeakPolarHBondContact O-CG 3.46Å; Q65-L69 PolarHBondContact O-N 3.44Å |
| 66 | L | 95.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 106.5 Ų | 106.5 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.1 | -175.4 | 68 | 0 | 0 | 0 | 111.3 | L62 R63 Q64 T68 L69 Q70 | L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 PolarHBondContact O-N 3.44Å; R63-L66 PolarHBondContact O-N 2.93Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.49Å; L66-T68 VanDerWaalsContact C-N 3.34Å; L66-T68 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.93Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.28Å; L66-Q70 WeakPolarHBondContact O-CG 3.42Å; L66-Q70 PolarHBondContact O-N 3.41Å |
| 67 | T | 95.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 106.5 Ų | 106.5 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | R63 Q64 Q65 Q70 N71 | R63-T67 WeakPolarHBondContact O-CG2 3.5Å; R63-T67 PolarHBondContact O-N 2.95Å; R63-T67 PolarHBondContact O-OG1 3.01Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.37Å; Q64-T67 PolarHBondContact O-N 3.41Å; Q64-T67 PolarHBondContact O-OG1 3.23Å; Q65-T67 PolarHBondContact O-N 2.88Å; T67-Q70 PolarHBondContact O-N 2.99Å; T67-N71 WeakPolarHBondContact O-CB 3.36Å; T67-N71 PolarHBondContact O-N 3.28Å; T67-N71 PolarHBondContact O-ND2 3.47Å |
| 68 | T | 95.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | Q64 Q65 L66 N71 L72 | Q64-T68 WeakPolarHBondContact O-CG2 3.39Å; Q64-T68 PolarHBondContact O-N 3Å; Q64-T68 PolarHBondContact O-OG1 2.89Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.24Å; Q65-T68 PolarHBondContact O-N 2.94Å; Q65-T68 PolarHBondContact O-OG1 3.43Å; L66-T68 VanDerWaalsContact C-N 3.34Å; L66-T68 PolarHBondContact O-N 3.44Å; T68-N71 PolarHBondContact O-N 3.45Å; T68-L72 WeakPolarHBondContact O-CB 3.44Å; T68-L72 PolarHBondContact O-N 2.95Å |
| 69 | L | 95.9 | Very high | 95.6 | Very high | 111 Ų | 111 | 108.5 Ų | 108.5 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.7 | -37 | 176.9 | -72.4 | 173.7 | 0 | 0 | 0 | 112 | Q65 L66 L72 N73 | Q65-L69 WeakPolarHBondContact O-CG 3.46Å; Q65-L69 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.93Å; L69-L72 PolarHBondContact O-N 3.49Å; L69-N73 VanDerWaalsContact O-CB 3.31Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.07Å |
| 70 | Q | 96.4 | Very high | 95.7 | Very high | 105 Ų | 105 | 108.5 Ų | 108.5 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 173.7 | -76.8 | 173.9 | -29.9 | 0 | 0 | 111.2 | L66 T67 L72 N73 E74 | L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.28Å; L66-Q70 WeakPolarHBondContact O-CG 3.42Å; L66-Q70 PolarHBondContact O-N 3.41Å; T67-Q70 PolarHBondContact O-N 2.99Å; Q70-L72 PolarHBondContact O-N 3Å; Q70-N73 PolarHBondContact O-N 3.32Å; Q70-E74 PolarHBondContact O-N 2.93Å |
| 71 | N | 95.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 103.4 Ų | 103.4 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.8 | -68.9 | -15.1 | 0 | 0 | 0 | 111.8 | T67 T68 N73 E74 Q75 | T67-N71 WeakPolarHBondContact O-CB 3.36Å; T67-N71 PolarHBondContact O-N 3.28Å; T67-N71 PolarHBondContact O-ND2 3.47Å; T68-N71 PolarHBondContact O-N 3.45Å; N71-N73 VanDerWaalsContact C-N 3.35Å; N71-E74 PolarHBondContact O-N 3.04Å; N71-Q75 WeakPolarHBondContact O-CG 3.27Å; N71-Q75 PolarHBondContact O-N 2.93Å |
| 72 | L | 96.3 | Very high | 95.9 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 35% | 0.346 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.4 | -171.2 | 71.5 | 0 | 0 | 0 | 111.9 | T68 L69 Q70 Q75 Y76 | T68-L72 WeakPolarHBondContact O-CB 3.44Å; T68-L72 PolarHBondContact O-N 2.95Å; L69-L72 PolarHBondContact O-N 3.49Å; Q70-L72 PolarHBondContact O-N 3Å; L72-Q75 PolarHBondContact O-N 3.41Å; L72-Y76 HydrophobicContact CD1-CE2 3.91Å; L72-Y76 HydrophobicContact CD2-CE2 3.76Å; L72-Y76 HydrophobicContact CG-CD2 3.96Å; L72-Y76 HydrophobicContact CG-CE2 3.51Å; L72-Y76 WeakPolarHBondContact O-CD2 3.24Å; L72-Y76 PolarHBondContact O-N 3.2Å |
| 73 | N | 96 | Very high | 96 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.9 | -166.5 | -85.7 | 0 | 0 | 0 | 111.8 | L69 Q70 N71 Y76 K77 | L69-N73 VanDerWaalsContact O-CB 3.31Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.07Å; Q70-N73 PolarHBondContact O-N 3.32Å; N71-N73 VanDerWaalsContact C-N 3.35Å; N73-Y76 PolarHBondContact O-N 3.45Å; N73-K77 WeakPolarHBondContact O-CG 3.29Å; N73-K77 PolarHBondContact O-N 3.2Å; N73-K77 WeakPolarHBondContact OD1-CE 3.45Å; N73-K77 PolarHBondContact OD1-NZ 3.44Å |
| 74 | E | 95.6 | Very high | 96 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 174.2 | -71.1 | -54.6 | 133.4 | 0 | 0 | 111.7 | Q70 N71 K77 T78 | Q70-E74 PolarHBondContact O-N 2.93Å; N71-E74 PolarHBondContact O-N 3.04Å; E74-K77 PolarHBondContact O-N 3.4Å; E74-K77 IonicContact OE1-NZ 3.13Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å; E74-T78 WeakPolarHBondContact O-CG2 3.42Å; E74-T78 PolarHBondContact O-N 3.44Å; E74-T78 PolarHBondContact O-OG1 2.88Å |
| 75 | Q | 95.3 | Very high | 96.1 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -52.5 | 171.8 | -74.8 | 174.2 | -3.6 | 0 | 0 | 111.5 | N71 L72 K77 T78 E79 | N71-Q75 WeakPolarHBondContact O-CG 3.27Å; N71-Q75 PolarHBondContact O-N 2.93Å; L72-Q75 PolarHBondContact O-N 3.41Å; Q75-K77 VanDerWaalsContact C-N 3.3Å; Q75-K77 PolarHBondContact O-N 3.46Å; Q75-T78 PolarHBondContact O-N 2.94Å; Q75-T78 PolarHBondContact O-OG1 3.46Å; Q75-E79 PolarHBondContact O-N 3.16Å |
| 76 | Y | 96.2 | Very high | 96.1 | Very high | 139 Ų | 139 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 178.2 | -72.1 | -41.6 | 0 | 0 | 0 | 113.8 | L72 N73 L80 | L72-Y76 HydrophobicContact CD1-CE2 3.91Å; L72-Y76 HydrophobicContact CD2-CE2 3.76Å; L72-Y76 HydrophobicContact CG-CD2 3.96Å; L72-Y76 HydrophobicContact CG-CE2 3.51Å; L72-Y76 WeakPolarHBondContact O-CD2 3.24Å; L72-Y76 PolarHBondContact O-N 3.2Å; N73-Y76 PolarHBondContact O-N 3.45Å; Y76-L80 WeakPolarHBondContact O-CB 3.38Å; Y76-L80 PolarHBondContact O-N 3.01Å |
| 77 | K | 96.8 | Very high | 96.1 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 172.1 | -77.5 | 174.1 | -177 | 163 | 0 | 111.4 | N73 E74 Q75 S81 | N73-K77 WeakPolarHBondContact O-CG 3.29Å; N73-K77 PolarHBondContact O-N 3.2Å; N73-K77 WeakPolarHBondContact OD1-CE 3.45Å; N73-K77 PolarHBondContact OD1-NZ 3.44Å; E74-K77 PolarHBondContact O-N 3.4Å; E74-K77 IonicContact OE1-NZ 3.13Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å; Q75-K77 VanDerWaalsContact C-N 3.3Å; Q75-K77 PolarHBondContact O-N 3.46Å; K77-S81 WeakPolarHBondContact O-CB 3.44Å; K77-S81 PolarHBondContact O-N 2.86Å |
| 78 | T | 96.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 105 Ų | 105 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 178.2 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | E74 Q75 L80 S81 A82 | E74-T78 WeakPolarHBondContact O-CG2 3.42Å; E74-T78 PolarHBondContact O-N 3.44Å; E74-T78 PolarHBondContact O-OG1 2.88Å; Q75-T78 PolarHBondContact O-N 2.94Å; Q75-T78 PolarHBondContact O-OG1 3.46Å; T78-L80 PolarHBondContact O-N 3.45Å; T78-S81 PolarHBondContact O-N 3.21Å; T78-S81 PolarHBondContact O-OG 2.97Å; T78-A82 PolarHBondContact O-N 3.35Å |
| 79 | E | 96.4 | Very high | 96.2 | Very high | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.1 | -70.4 | 176.6 | -177.8 | 0 | 0 | 111.9 | Q75 S81 A82 E83 | Q75-E79 PolarHBondContact O-N 3.16Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.42Å; E79-A82 PolarHBondContact O-N 2.93Å; E79-E83 WeakPolarHBondContact O-CB 3.46Å; E79-E83 PolarHBondContact O-N 3.48Å |
| 80 | L | 96.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.9 | -177.1 | 64.3 | 0 | 0 | 0 | 112.1 | Y76 T78 R84 | Y76-L80 WeakPolarHBondContact O-CB 3.38Å; Y76-L80 PolarHBondContact O-N 3.01Å; T78-L80 PolarHBondContact O-N 3.45Å; L80-R84 WeakPolarHBondContact O-CB 3.44Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 2.9Å |
| 81 | S | 96.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 175.8 | 76.9 | 0 | 0 | 0 | 0 | 112.1 | K77 T78 E79 L85 | K77-S81 WeakPolarHBondContact O-CB 3.44Å; K77-S81 PolarHBondContact O-N 2.86Å; T78-S81 PolarHBondContact O-N 3.21Å; T78-S81 PolarHBondContact O-OG 2.97Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.42Å; S81-L85 PolarHBondContact O-N 3.21Å; S81-L85 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 96.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 102.4 Ų | 102.4 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T78 E79 R84 L85 Q86 | T78-A82 PolarHBondContact O-N 3.35Å; E79-A82 PolarHBondContact O-N 2.93Å; A82-R84 VanDerWaalsContact C-N 3.35Å; A82-R84 PolarHBondContact O-N 3.27Å; A82-L85 PolarHBondContact O-N 2.9Å; A82-Q86 WeakPolarHBondContact O-CG 3.38Å; A82-Q86 PolarHBondContact O-N 2.95Å |
| 83 | E | 96.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 101.8 Ų | 101.8 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.3 | -172.8 | 64.5 | -156.5 | 0 | 0 | 111.7 | E79 L85 Q86 R87 | E79-E83 WeakPolarHBondContact O-CB 3.46Å; E79-E83 PolarHBondContact O-N 3.48Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 3.39Å; E83-Q86 PolarHBondContact O-N 3.43Å; E83-R87 WeakPolarHBondContact O-CB 3.46Å; E83-R87 PolarHBondContact O-N 3.28Å |
| 84 | R | 96.5 | Very high | 96.3 | Very high | 170 Ų | 170 | 103.2 Ų | 103.2 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 175.1 | -77.4 | 172.8 | 179.4 | -178.3 | 0.9 | 112.4 | L80 A82 K88 | L80-R84 WeakPolarHBondContact O-CB 3.44Å; L80-R84 VanDerWaalsContact O-CG 3.24Å; L80-R84 WeakPolarHBondContact O-CG 3.43Å; L80-R84 PolarHBondContact O-N 2.9Å; A82-R84 VanDerWaalsContact C-N 3.35Å; A82-R84 PolarHBondContact O-N 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 2.88Å; R84-K88 VanDerWaalsContact O-N 3.08Å |
| 85 | L | 96.2 | Very high | 96.3 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -48.3 | 177.2 | -175.2 | 62.4 | 0 | 0 | 0 | 110.6 | S81 A82 E83 R87 K88 D89 | S81-L85 PolarHBondContact O-N 3.21Å; S81-L85 VanDerWaalsContact O-N 3.13Å; A82-L85 PolarHBondContact O-N 2.9Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 3.39Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.49Å; L85-K88 WeakPolarHBondContact O-CB 3.29Å; L85-K88 PolarHBondContact O-N 3.5Å; L85-D89 VanDerWaalsContact O-CG 3.32Å; L85-D89 PolarHBondContact O-N 3.27Å |
| 86 | Q | 95.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 100.5 Ų | 100.5 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 175.5 | -73.4 | -173.6 | -8.3 | 0 | 0 | 111.9 | A82 E83 K88 D89 T90 | A82-Q86 WeakPolarHBondContact O-CG 3.38Å; A82-Q86 PolarHBondContact O-N 2.95Å; E83-Q86 PolarHBondContact O-N 3.43Å; Q86-K88 PolarHBondContact O-N 3.36Å; Q86-D89 PolarHBondContact O-N 2.94Å; Q86-T90 WeakPolarHBondContact O-CG2 3.34Å; Q86-T90 PolarHBondContact O-N 2.86Å; Q86-T90 PolarHBondContact O-OG1 3.35Å |
| 87 | R | 96.5 | Very high | 96.4 | Very high | 152 Ų | 152 | 98.8 Ų | 98.8 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 177.9 | -158 | -178.4 | -167.9 | 105.2 | -0.5 | 111.7 | E83 L85 D89 T90 E91 | E83-R87 WeakPolarHBondContact O-CB 3.46Å; E83-R87 PolarHBondContact O-N 3.28Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.49Å; R87-D89 VanDerWaalsContact C-N 3.32Å; R87-D89 PolarHBondContact O-N 3.32Å; R87-T90 WeakPolarHBondContact CA-OG1 3.47Å; R87-T90 PolarHBondContact O-N 2.92Å; R87-T90 PolarHBondContact O-OG1 2.83Å; R87-E91 IonicContact NE-OE1 3.81Å; R87-E91 WeakPolarHBondContact O-CB 3.38Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.8Å |
| 88 | K | 96.7 | Very high | 96.4 | Very high | 142 Ų | 142 | 100 Ų | 100 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | 175.5 | -174.4 | -176.5 | 177.1 | -173.3 | 0 | 111.9 | R84 L85 Q86 E91 S92 | R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 2.88Å; R84-K88 VanDerWaalsContact O-N 3.08Å; L85-K88 WeakPolarHBondContact O-CB 3.29Å; L85-K88 PolarHBondContact O-N 3.5Å; Q86-K88 PolarHBondContact O-N 3.36Å; K88-E91 PolarHBondContact O-N 2.93Å; K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 3.16Å |
| 89 | D | 96.3 | Very high | 96.4 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.8 | -67.4 | -15.8 | 0 | 0 | 0 | 110.7 | L85 Q86 R87 S92 A93 | L85-D89 VanDerWaalsContact O-CG 3.32Å; L85-D89 PolarHBondContact O-N 3.27Å; Q86-D89 PolarHBondContact O-N 2.94Å; R87-D89 VanDerWaalsContact C-N 3.32Å; R87-D89 PolarHBondContact O-N 3.32Å; D89-S92 PolarHBondContact O-N 3.12Å; D89-S92 PolarHBondContact O-OG 2.97Å; D89-A93 WeakPolarHBondContact O-CB 3.39Å; D89-A93 PolarHBondContact O-N 2.96Å |
| 90 | T | 95.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 113 | Q86 R87 S92 A93 L94 | Q86-T90 WeakPolarHBondContact O-CG2 3.34Å; Q86-T90 PolarHBondContact O-N 2.86Å; Q86-T90 PolarHBondContact O-OG1 3.35Å; R87-T90 WeakPolarHBondContact CA-OG1 3.47Å; R87-T90 PolarHBondContact O-N 2.92Å; R87-T90 PolarHBondContact O-OG1 2.83Å; T90-S92 VanDerWaalsContact C-N 3.34Å; T90-A93 PolarHBondContact O-N 3.38Å; T90-L94 WeakPolarHBondContact O-CB 3.33Å; T90-L94 VanDerWaalsContact O-CG 3.31Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.44Å |
| 91 | E | 97.3 | Very high | 96.4 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.3 | -75.6 | 172.9 | -174 | 0 | 0 | 111.1 | R87 K88 L94 Q95 | R87-E91 IonicContact NE-OE1 3.81Å; R87-E91 WeakPolarHBondContact O-CB 3.38Å; R87-E91 WeakPolarHBondContact O-CG 3.43Å; R87-E91 PolarHBondContact O-N 2.8Å; K88-E91 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 3.34Å; E91-Q95 WeakPolarHBondContact O-CB 3.39Å; E91-Q95 PolarHBondContact O-N 2.89Å |
| 92 | S | 96.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 98.7 Ų | 98.7 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.7 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | K88 D89 T90 Q95 S96 | K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 3.16Å; D89-S92 PolarHBondContact O-N 3.12Å; D89-S92 PolarHBondContact O-OG 2.97Å; T90-S92 VanDerWaalsContact C-N 3.34Å; S92-Q95 PolarHBondContact O-N 2.86Å; S92-S96 PolarHBondContact O-N 3.46Å |
| 93 | A | 96.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D89 T90 Q95 S96 L97 | D89-A93 WeakPolarHBondContact O-CB 3.39Å; D89-A93 PolarHBondContact O-N 2.96Å; T90-A93 PolarHBondContact O-N 3.38Å; A93-Q95 PolarHBondContact O-N 3Å; A93-S96 PolarHBondContact O-N 2.9Å; A93-S96 PolarHBondContact O-OG 3.46Å; A93-L97 WeakPolarHBondContact O-CB 3.21Å; A93-L97 PolarHBondContact O-N 3.41Å |
| 94 | L | 96.4 | Very high | 96.4 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 176.1 | -73.3 | 174.2 | 0 | 0 | 0 | 112.2 | T90 E91 L97 R98 | T90-L94 WeakPolarHBondContact O-CB 3.33Å; T90-L94 VanDerWaalsContact O-CG 3.31Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.44Å; E91-L94 PolarHBondContact O-N 3.34Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-R98 WeakPolarHBondContact O-CB 3.44Å; L94-R98 PolarHBondContact O-N 3.13Å |
| 95 | Q | 96.5 | Very high | 96.4 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.8 | -178.1 | 59.4 | 27.1 | 0 | 0 | 111.3 | E91 S92 A93 L97 R98 E99 | E91-Q95 WeakPolarHBondContact O-CB 3.39Å; E91-Q95 PolarHBondContact O-N 2.89Å; S92-Q95 PolarHBondContact O-N 2.86Å; A93-Q95 PolarHBondContact O-N 3Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.32Å; Q95-R98 PolarHBondContact O-N 2.96Å; Q95-E99 PolarHBondContact NE2-OE1 3.41Å; Q95-E99 WeakPolarHBondContact O-CG 3.44Å; Q95-E99 PolarHBondContact O-N 3.23Å |
| 96 | S | 96.2 | Very high | 96.4 | Very high | 70 Ų | 70 | 102 Ų | 102 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.8 | 80.1 | 0 | 0 | 0 | 0 | 112.7 | S92 A93 E99 S100 | S92-S96 PolarHBondContact O-N 3.46Å; A93-S96 PolarHBondContact O-N 2.9Å; A93-S96 PolarHBondContact O-OG 3.46Å; S96-E99 PolarHBondContact O-N 2.98Å; S96-S100 PolarHBondContact O-N 3.32Å |
| 97 | L | 96.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 176.9 | -179.1 | 61.4 | 0 | 0 | 0 | 111 | A93 L94 Q95 E99 S100 V101 | A93-L97 WeakPolarHBondContact O-CB 3.21Å; A93-L97 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 2.88Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.32Å; L97-E99 PolarHBondContact O-N 3.02Å; L97-S100 PolarHBondContact O-N 2.89Å; L97-V101 HydrophobicContact CD1-CG2 4.27Å; L97-V101 HydrophobicContact CG-CG2 4.49Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 3.48Å |
| 98 | R | 97.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 98.1 Ų | 98.1 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 175.6 | 177.8 | 179.8 | 168.8 | -114.5 | -11.5 | 111.2 | L94 Q95 S100 V101 E102 | L94-R98 WeakPolarHBondContact O-CB 3.44Å; L94-R98 PolarHBondContact O-N 3.13Å; Q95-R98 PolarHBondContact O-N 2.96Å; R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.94Å; R98-V101 PolarHBondContact O-N 3.11Å; R98-E102 HydrophobicContact CG-CG 4.48Å; R98-E102 IonicContact CZ-OE1 2.98Å; R98-E102 IonicContact CZ-OE2 3.66Å; R98-E102 IonicContact NE-OE1 3.93Å; R98-E102 PolarHBondContact NE-OE1 2.97Å; R98-E102 IonicContact NH2-OE1 2.66Å; R98-E102 PolarHBondContact NH2-OE1 3.45Å; R98-E102 IonicContact NH2-OE2 3.08Å; R98-E102 WeakPolarHBondContact O-CB 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.01Å |
| 99 | E | 96.7 | Very high | 96.3 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 178.2 | -72.1 | 171.4 | -166.9 | 0 | 0 | 112 | Q95 S96 L97 K103 | Q95-E99 PolarHBondContact NE2-OE1 3.41Å; Q95-E99 WeakPolarHBondContact O-CG 3.44Å; Q95-E99 PolarHBondContact O-N 3.23Å; S96-E99 PolarHBondContact O-N 2.98Å; L97-E99 PolarHBondContact O-N 3.02Å; E99-K103 WeakPolarHBondContact O-CB 3.3Å; E99-K103 PolarHBondContact O-N 2.93Å |
| 100 | S | 96.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | S96 L97 R98 K103 Q104 | S96-S100 PolarHBondContact O-N 3.32Å; L97-S100 PolarHBondContact O-N 2.89Å; R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.94Å; S100-K103 PolarHBondContact O-N 3.37Å; S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 3.47Å |
| 101 | V | 96.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 179.5 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L97 R98 K103 Q104 L105 | L97-V101 HydrophobicContact CD1-CG2 4.27Å; L97-V101 HydrophobicContact CG-CG2 4.49Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 3.48Å; R98-V101 PolarHBondContact O-N 3.11Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 2.93Å; V101-Q104 PolarHBondContact O-N 3.32Å; V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 PolarHBondContact O-N 3.3Å |
| 102 | E | 96.7 | Very high | 96.1 | Very high | 91 Ų | 91 | 93.7 Ų | 93.7 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 174.5 | -77.1 | 178.3 | 177.7 | 0 | 0 | 111.4 | R98 L105 Q106 | R98-E102 HydrophobicContact CG-CG 4.48Å; R98-E102 IonicContact CZ-OE1 2.98Å; R98-E102 IonicContact CZ-OE2 3.66Å; R98-E102 IonicContact NE-OE1 3.93Å; R98-E102 PolarHBondContact NE-OE1 2.97Å; R98-E102 IonicContact NH2-OE1 2.66Å; R98-E102 PolarHBondContact NH2-OE1 3.45Å; R98-E102 IonicContact NH2-OE2 3.08Å; R98-E102 WeakPolarHBondContact O-CB 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.01Å; E102-L105 PolarHBondContact O-N 3.41Å; E102-Q106 PolarHBondContact O-N 3.38Å |
| 103 | K | 96.4 | Very high | 96.1 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 174.2 | -176.6 | 178 | 174.2 | -178.1 | 0 | 112.1 | E99 S100 V101 L105 Q106 E107 | E99-K103 WeakPolarHBondContact O-CB 3.3Å; E99-K103 PolarHBondContact O-N 2.93Å; S100-K103 PolarHBondContact O-N 3.37Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 2.93Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 3.34Å; K103-Q106 PolarHBondContact O-N 3.13Å; K103-E107 WeakPolarHBondContact CE-OE1 3.44Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3Å |
| 104 | Q | 96.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -38 | 176.8 | -75.5 | 179 | -15.1 | 0 | 0 | 112.2 | S100 V101 E107 T108 | S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 3.47Å; V101-Q104 PolarHBondContact O-N 3.32Å; Q104-E107 PolarHBondContact O-N 3.04Å; Q104-T108 WeakPolarHBondContact O-CB 3.47Å; Q104-T108 VanDerWaalsContact O-CG2 3.3Å; Q104-T108 WeakPolarHBondContact O-CG2 3.39Å; Q104-T108 PolarHBondContact O-N 2.9Å; Q104-T108 PolarHBondContact O-OG1 3.41Å |
| 105 | L | 96.2 | Very high | 96 | Very high | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 176.5 | -170.4 | 68.1 | 0 | 0 | 0 | 111.5 | V101 E102 K103 T108 G109 | V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 PolarHBondContact O-N 3.3Å; E102-L105 PolarHBondContact O-N 3.41Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 3.34Å; L105-T108 WeakPolarHBondContact CA-OG1 3.48Å; L105-T108 PolarHBondContact O-OG1 2.94Å; L105-G109 PolarHBondContact O-N 3.47Å |
| 106 | Q | 96 | Very high | 96 | Very high | 132 Ų | 132 | 96 Ų | 96 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.4 | -48.4 | 174.5 | -173.4 | 175.7 | -2.7 | 0 | 0 | 111.5 | E102 K103 T108 G109 D110 | E102-Q106 PolarHBondContact O-N 3.38Å; K103-Q106 PolarHBondContact O-N 3.13Å; Q106-T108 PolarHBondContact O-N 3.22Å; Q106-G109 PolarHBondContact O-N 3.4Å; Q106-D110 PolarHBondContact O-N 3.43Å |
| 107 | E | 95.2 | Very high | 96 | Very high | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 178 | -72.7 | 174.6 | -176.5 | 0 | 0 | 111.8 | K103 Q104 D110 V111 | K103-E107 WeakPolarHBondContact CE-OE1 3.44Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 3Å; Q104-E107 PolarHBondContact O-N 3.04Å; E107-D110 PolarHBondContact O-N 2.98Å; E107-V111 WeakPolarHBondContact O-CG2 3.48Å; E107-V111 PolarHBondContact O-N 3.41Å |
| 108 | T | 94.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 99.8 Ų | 99.8 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176.5 | 51 | 0 | 0 | 0 | 0 | 112.4 | Q104 L105 Q106 D110 V111 F112 | Q104-T108 WeakPolarHBondContact O-CB 3.47Å; Q104-T108 VanDerWaalsContact O-CG2 3.3Å; Q104-T108 WeakPolarHBondContact O-CG2 3.39Å; Q104-T108 PolarHBondContact O-N 2.9Å; Q104-T108 PolarHBondContact O-OG1 3.41Å; L105-T108 WeakPolarHBondContact CA-OG1 3.48Å; L105-T108 PolarHBondContact O-OG1 2.94Å; Q106-T108 PolarHBondContact O-N 3.22Å; T108-D110 VanDerWaalsContact C-N 3.35Å; T108-V111 PolarHBondContact O-N 3.2Å; T108-F112 WeakPolarHBondContact O-CB 3.48Å; T108-F112 PolarHBondContact O-N 3.4Å |
| 109 | G | 96.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 98.7 Ų | 98.7 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L105 Q106 F112 K113 | L105-G109 PolarHBondContact O-N 3.47Å; Q106-G109 PolarHBondContact O-N 3.4Å; G109-F112 PolarHBondContact O-N 3.19Å; G109-K113 WeakPolarHBondContact O-CG 3.33Å; G109-K113 PolarHBondContact O-N 2.97Å |
| 110 | D | 95.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 177.7 | -69.3 | -21.2 | 0 | 0 | 0 | 112 | Q106 E107 T108 K113 A114 | Q106-D110 PolarHBondContact O-N 3.43Å; E107-D110 PolarHBondContact O-N 2.98Å; T108-D110 VanDerWaalsContact C-N 3.35Å; D110-K113 PolarHBondContact O-N 3.19Å; D110-K113 IonicContact OD1-NZ 2.78Å; D110-K113 PolarHBondContact OD1-NZ 3.02Å; D110-K113 VanDerWaalsContact OD1-NZ 3.13Å; D110-A114 WeakPolarHBondContact O-CB 3.31Å; D110-A114 PolarHBondContact O-N 2.87Å |
| 111 | V | 95.7 | Very high | 95.6 | Very high | 85 Ų | 85 | 98.3 Ų | 98.3 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 170.8 | 172 | 0 | 0 | 0 | 0 | 111.2 | E107 T108 K113 A114 I115 | E107-V111 WeakPolarHBondContact O-CG2 3.48Å; E107-V111 PolarHBondContact O-N 3.41Å; T108-V111 PolarHBondContact O-N 3.2Å; V111-K113 PolarHBondContact O-N 2.96Å; V111-A114 PolarHBondContact O-N 2.86Å; V111-I115 HydrophobicContact CG1-CD1 3.84Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.26Å |
| 112 | F | 95.3 | Very high | 95.5 | Very high | 137 Ų | 137 | 97.5 Ų | 97.5 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 178 | -175.9 | -94 | 0 | 0 | 0 | 112 | T108 G109 A114 I115 Q116 | T108-F112 WeakPolarHBondContact O-CB 3.48Å; T108-F112 PolarHBondContact O-N 3.4Å; G109-F112 PolarHBondContact O-N 3.19Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 2.98Å; F112-I115 PolarHBondContact O-N 2.78Å; F112-Q116 WeakPolarHBondContact O-CB 3.34Å; F112-Q116 PolarHBondContact O-N 2.89Å |
| 113 | K | 96.3 | Very high | 95.5 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 174.2 | -70.3 | 169.5 | -164.8 | 158.3 | 0 | 111.9 | G109 D110 V111 Q116 L117 | G109-K113 WeakPolarHBondContact O-CG 3.33Å; G109-K113 PolarHBondContact O-N 2.97Å; D110-K113 PolarHBondContact O-N 3.19Å; D110-K113 IonicContact OD1-NZ 2.78Å; D110-K113 PolarHBondContact OD1-NZ 3.02Å; D110-K113 VanDerWaalsContact OD1-NZ 3.13Å; V111-K113 PolarHBondContact O-N 2.96Å; K113-Q116 PolarHBondContact O-N 2.94Å; K113-L117 WeakPolarHBondContact O-CG 3.26Å; K113-L117 PolarHBondContact O-N 3.02Å |
| 114 | A | 95.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 98.9 Ų | 98.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D110 V111 F112 L117 K118 | D110-A114 WeakPolarHBondContact O-CB 3.31Å; D110-A114 PolarHBondContact O-N 2.87Å; V111-A114 PolarHBondContact O-N 2.86Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 2.98Å; A114-L117 PolarHBondContact O-N 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.28Å; A114-K118 PolarHBondContact O-N 3.46Å; A114-K118 VanDerWaalsContact O-N 3.08Å |
| 115 | I | 94.5 | Very high | 95.3 | Very high | 102 Ų | 102 | 98.7 Ų | 98.7 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.8 | -69.1 | 169.8 | 0 | 0 | 0 | 110.7 | V111 F112 L117 K118 Q119 | V111-I115 HydrophobicContact CG1-CD1 3.84Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.26Å; F112-I115 PolarHBondContact O-N 2.78Å; I115-L117 PolarHBondContact O-N 3.04Å; I115-K118 PolarHBondContact O-N 3.3Å; I115-Q119 WeakPolarHBondContact O-CB 3.48Å; I115-Q119 PolarHBondContact O-N 2.91Å |
| 116 | Q | 96.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 97.8 Ų | 97.8 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 179.3 | -170.8 | 176.2 | 6.4 | 0 | 0 | 112.1 | F112 K113 Q119 N120 | F112-Q116 WeakPolarHBondContact O-CB 3.34Å; F112-Q116 PolarHBondContact O-N 2.89Å; K113-Q116 PolarHBondContact O-N 2.94Å; Q116-Q119 PolarHBondContact O-N 3.36Å; Q116-N120 VanDerWaalsContact O-CG 3.29Å; Q116-N120 PolarHBondContact O-N 3.48Å |
| 117 | L | 95.5 | Very high | 95.3 | Very high | 110 Ų | 110 | 93.1 Ų | 93.1 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -46.9 | 172.7 | -74.2 | 168.9 | 0 | 0 | 0 | 111.3 | K113 A114 I115 Q119 N120 D121 | K113-L117 WeakPolarHBondContact O-CG 3.26Å; K113-L117 PolarHBondContact O-N 3.02Å; A114-L117 PolarHBondContact O-N 3.31Å; I115-L117 PolarHBondContact O-N 3.04Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.49Å; L117-N120 PolarHBondContact O-N 3.38Å; L117-D121 PolarHBondContact O-N 3.39Å |
| 118 | K | 95.1 | Very high | 95.3 | Very high | 143 Ų | 143 | 96.3 Ų | 96.3 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | 178.4 | -71.3 | -69.9 | 162.4 | -147.5 | 0 | 113.4 | A114 I115 D121 A122 | A114-K118 WeakPolarHBondContact O-CG 3.28Å; A114-K118 PolarHBondContact O-N 3.46Å; A114-K118 VanDerWaalsContact O-N 3.08Å; I115-K118 PolarHBondContact O-N 3.3Å; K118-D121 IonicContact NZ-OD2 3.2Å; K118-D121 PolarHBondContact NZ-OD2 3.5Å; K118-A122 WeakPolarHBondContact O-CB 3.32Å; K118-A122 PolarHBondContact O-N 3.11Å |
| 119 | Q | 94.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.4 | -177.5 | -179.5 | 1.1 | 0 | 0 | 111.2 | I115 Q116 L117 A122 Q123 | I115-Q119 WeakPolarHBondContact O-CB 3.48Å; I115-Q119 PolarHBondContact O-N 2.91Å; Q116-Q119 PolarHBondContact O-N 3.36Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.49Å; Q119-A122 PolarHBondContact O-N 3.43Å; Q119-Q123 WeakPolarHBondContact O-CG 3.44Å; Q119-Q123 PolarHBondContact O-N 3.38Å |
| 120 | N | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 99.3 Ų | 99.3 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.7 | -68.2 | -15.9 | 0 | 0 | 0 | 111.4 | Q116 L117 A122 Q123 E124 | Q116-N120 VanDerWaalsContact O-CG 3.29Å; Q116-N120 PolarHBondContact O-N 3.48Å; L117-N120 PolarHBondContact O-N 3.38Å; N120-A122 VanDerWaalsContact C-N 3.29Å; N120-A122 PolarHBondContact O-N 2.93Å; N120-Q123 PolarHBondContact O-N 2.92Å; N120-E124 PolarHBondContact O-N 2.93Å |
| 121 | D | 95.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.9 | -45.7 | 174.9 | -66.7 | -12.7 | 0 | 0 | 0 | 110.9 | L117 K118 E124 L125 | L117-D121 PolarHBondContact O-N 3.39Å; K118-D121 IonicContact NZ-OD2 3.2Å; K118-D121 PolarHBondContact NZ-OD2 3.5Å; D121-E124 PolarHBondContact O-N 2.93Å; D121-L125 WeakPolarHBondContact O-CB 3.36Å; D121-L125 PolarHBondContact O-N 2.96Å |
| 122 | A | 93.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 103.9 Ų | 103.9 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K118 Q119 N120 L126 | K118-A122 WeakPolarHBondContact O-CB 3.32Å; K118-A122 PolarHBondContact O-N 3.11Å; Q119-A122 PolarHBondContact O-N 3.43Å; N120-A122 VanDerWaalsContact C-N 3.29Å; N120-A122 PolarHBondContact O-N 2.93Å; A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 2.97Å |
| 123 | Q | 95.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 174.6 | -76.2 | 179 | -14 | 0 | 0 | 111.7 | Q119 N120 L126 A127 | Q119-Q123 WeakPolarHBondContact O-CG 3.44Å; Q119-Q123 PolarHBondContact O-N 3.38Å; N120-Q123 PolarHBondContact O-N 2.92Å; Q123-L126 PolarHBondContact O-N 3.38Å; Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 3.47Å |
| 124 | E | 95.3 | Very high | 95.2 | Very high | 137 Ų | 137 | 104.7 Ų | 104.7 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 177 | -171.5 | 174.4 | 178.9 | 0 | 0 | 111.7 | N120 D121 A127 R128 | N120-E124 PolarHBondContact O-N 2.93Å; D121-E124 PolarHBondContact O-N 2.93Å; E124-A127 PolarHBondContact O-N 2.92Å; E124-R128 WeakPolarHBondContact O-CB 3.44Å; E124-R128 PolarHBondContact O-N 2.96Å |
| 125 | L | 94.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 104.8 Ų | 104.8 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -48.7 | 175.2 | -175.8 | 65.1 | 0 | 0 | 0 | 111.2 | D121 A127 R128 E129 | D121-L125 WeakPolarHBondContact O-CB 3.36Å; D121-L125 PolarHBondContact O-N 2.96Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.5Å; L125-R128 WeakPolarHBondContact O-CB 3.39Å; L125-R128 PolarHBondContact O-N 3.02Å; L125-R128 VanDerWaalsContact O-N 3.11Å; L125-E129 WeakPolarHBondContact O-CG 3.34Å; L125-E129 PolarHBondContact O-N 3.01Å |
| 126 | L | 94.6 | Very high | 95.2 | Very high | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 177.1 | 179.2 | 62.2 | 0 | 0 | 0 | 111.7 | A122 Q123 R128 E129 L130 | A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 2.97Å; Q123-L126 PolarHBondContact O-N 3.38Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 3.38Å; L126-E129 PolarHBondContact O-N 3.38Å; L126-L130 HydrophobicContact CD1-CD1 4.23Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.37Å |
| 127 | A | 96.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 103.5 Ų | 103.5 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q123 E124 L125 R131 | Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 3.47Å; E124-A127 PolarHBondContact O-N 2.92Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.5Å; A127-R131 WeakPolarHBondContact O-CG 3.42Å; A127-R131 PolarHBondContact O-N 3.03Å; A127-R131 VanDerWaalsContact O-N 3.13Å |
| 128 | R | 95.7 | Very high | 95.1 | Very high | 169 Ų | 169 | 99.7 Ų | 99.7 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -48.3 | 175.1 | -176.9 | 178.2 | 177.8 | 158.3 | -1.8 | 111.6 | E124 L125 L126 L130 R131 F132 | E124-R128 WeakPolarHBondContact O-CB 3.44Å; E124-R128 PolarHBondContact O-N 2.96Å; L125-R128 WeakPolarHBondContact O-CB 3.39Å; L125-R128 PolarHBondContact O-N 3.02Å; L125-R128 VanDerWaalsContact O-N 3.11Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 3.38Å; R128-L130 PolarHBondContact O-N 3.41Å; R128-R131 WeakPolarHBondContact O-CB 3.31Å; R128-R131 PolarHBondContact O-N 2.93Å; R128-F132 PolarHBondContact O-N 3.18Å |
| 129 | E | 94.2 | Very high | 95 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.7 | -68.1 | -49.5 | 128.1 | 0 | 0 | 112.1 | L125 L126 R131 F132 I133 | L125-E129 WeakPolarHBondContact O-CG 3.34Å; L125-E129 PolarHBondContact O-N 3.01Å; L126-E129 PolarHBondContact O-N 3.38Å; E129-R131 VanDerWaalsContact C-N 3.32Å; E129-R131 PolarHBondContact O-N 3.35Å; E129-F132 PolarHBondContact O-N 3.4Å; E129-I133 WeakPolarHBondContact O-CG1 3.38Å; E129-I133 PolarHBondContact O-N 2.88Å |
| 130 | L | 95.6 | Very high | 94.9 | Very high | 91 Ų | 91 | 97.5 Ų | 97.5 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 175.3 | -72.9 | 174.4 | 0 | 0 | 0 | 112.5 | L126 R128 R134 | L126-L130 HydrophobicContact CD1-CD1 4.23Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.37Å; R128-L130 PolarHBondContact O-N 3.41Å; L130-R134 VanDerWaalsContact O-CB 3.26Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.47Å |
| 131 | R | 96.4 | Very high | 94.9 | Very high | 142 Ų | 142 | 98 Ų | 98 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 173.4 | -77.3 | -172.7 | -61.9 | -95.4 | 3.9 | 111.4 | A127 R128 E129 R134 A135 | A127-R131 WeakPolarHBondContact O-CG 3.42Å; A127-R131 PolarHBondContact O-N 3.03Å; A127-R131 VanDerWaalsContact O-N 3.13Å; R128-R131 WeakPolarHBondContact O-CB 3.31Å; R128-R131 PolarHBondContact O-N 2.93Å; E129-R131 VanDerWaalsContact C-N 3.32Å; E129-R131 PolarHBondContact O-N 3.35Å; R131-R134 PolarHBondContact O-N 3.19Å; R131-A135 PolarHBondContact O-N 2.89Å |
| 132 | F | 95.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 178.4 | 178.5 | -100.3 | 0 | 0 | 0 | 111.9 | R128 E129 R134 A135 K136 | R128-F132 PolarHBondContact O-N 3.18Å; E129-F132 PolarHBondContact O-N 3.4Å; F132-R134 VanDerWaalsContact C-N 3.33Å; F132-R134 PolarHBondContact O-N 2.96Å; F132-A135 WeakPolarHBondContact O-CB 3.46Å; F132-A135 PolarHBondContact O-N 3.19Å; F132-K136 HydrophobicContact CD1-CG 4.45Å; F132-K136 HydrophobicContact CE1-CG 4.03Å; F132-K136 HydrophobicContact CE2-CG 4.31Å; F132-K136 HydrophobicContact CZ-CD 4.38Å; F132-K136 HydrophobicContact CZ-CG 3.96Å; F132-K136 PolarHBondContact O-N 2.85Å |
| 133 | I | 93.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 97.9 Ų | 97.9 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.5 | -66.8 | 167.5 | 0 | 0 | 0 | 110.5 | E129 A135 K136 V137 | E129-I133 WeakPolarHBondContact O-CG1 3.38Å; E129-I133 PolarHBondContact O-N 2.88Å; I133-A135 VanDerWaalsContact C-N 3.32Å; I133-A135 PolarHBondContact O-N 3.17Å; I133-K136 PolarHBondContact O-N 3.08Å; I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CB 3.4Å; I133-V137 VanDerWaalsContact O-CG2 3.32Å; I133-V137 WeakPolarHBondContact O-CG2 3.48Å; I133-V137 PolarHBondContact O-N 3.13Å |
| 134 | R | 96.6 | Very high | 94.7 | Very high | 184 Ų | 184 | 100.1 Ų | 100.1 | 69% | 0.694 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 178.2 | -173.3 | 179.7 | -67 | 147.7 | 0.1 | 112 | L130 R131 F132 G138 | L130-R134 VanDerWaalsContact O-CB 3.26Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.47Å; R131-R134 PolarHBondContact O-N 3.19Å; F132-R134 VanDerWaalsContact C-N 3.33Å; F132-R134 PolarHBondContact O-N 2.96Å; R134-G138 PolarHBondContact O-N 3.01Å |
| 135 | A | 95.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R131 F132 I133 V137 G138 E139 | R131-A135 PolarHBondContact O-N 2.89Å; F132-A135 WeakPolarHBondContact O-CB 3.46Å; F132-A135 PolarHBondContact O-N 3.19Å; I133-A135 VanDerWaalsContact C-N 3.32Å; I133-A135 PolarHBondContact O-N 3.17Å; A135-V137 PolarHBondContact O-N 3.15Å; A135-G138 WeakPolarHBondContact O-CA 3.4Å; A135-G138 PolarHBondContact O-N 3.37Å; A135-G138 VanDerWaalsContact O-N 3.11Å; A135-E139 PolarHBondContact O-N 3.02Å |
| 136 | K | 94.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 39% | 0.391 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 178.5 | -71.7 | -72.4 | 158.1 | -154.1 | 0 | 113 | F132 I133 G138 E139 V140 | F132-K136 HydrophobicContact CD1-CG 4.45Å; F132-K136 HydrophobicContact CE1-CG 4.03Å; F132-K136 HydrophobicContact CE2-CG 4.31Å; F132-K136 HydrophobicContact CZ-CD 4.38Å; F132-K136 HydrophobicContact CZ-CG 3.96Å; F132-K136 PolarHBondContact O-N 2.85Å; I133-K136 PolarHBondContact O-N 3.08Å; K136-G138 VanDerWaalsContact C-N 3.3Å; K136-G138 PolarHBondContact O-N 3.43Å; K136-E139 IonicContact NZ-OE1 2.81Å; K136-E139 IonicContact NZ-OE2 3.69Å; K136-E139 PolarHBondContact NZ-OE2 3.08Å; K136-E139 PolarHBondContact O-N 3.43Å; K136-V140 WeakPolarHBondContact O-CG2 3.47Å; K136-V140 PolarHBondContact O-N 3.2Å |
| 137 | V | 94.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I133 A135 V140 L141 | I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CB 3.4Å; I133-V137 VanDerWaalsContact O-CG2 3.32Å; I133-V137 WeakPolarHBondContact O-CG2 3.48Å; I133-V137 PolarHBondContact O-N 3.13Å; A135-V137 PolarHBondContact O-N 3.15Å; V137-V140 PolarHBondContact O-N 3.42Å; V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.4Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.04Å |
| 138 | G | 95.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 100.1 Ų | 100.1 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R134 A135 K136 S142 | R134-G138 PolarHBondContact O-N 3.01Å; A135-G138 WeakPolarHBondContact O-CA 3.4Å; A135-G138 PolarHBondContact O-N 3.37Å; A135-G138 VanDerWaalsContact O-N 3.11Å; K136-G138 VanDerWaalsContact C-N 3.3Å; K136-G138 PolarHBondContact O-N 3.43Å; G138-S142 WeakPolarHBondContact O-CB 3.4Å; G138-S142 PolarHBondContact O-N 3.23Å; G138-S142 PolarHBondContact O-OG 3.25Å |
| 139 | E | 93.7 | Very high | 94 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.2 | -72.2 | 170.9 | -170.7 | 0 | 0 | 111.4 | A135 K136 S142 S143 | A135-E139 PolarHBondContact O-N 3.02Å; K136-E139 IonicContact NZ-OE1 2.81Å; K136-E139 IonicContact NZ-OE2 3.69Å; K136-E139 PolarHBondContact NZ-OE2 3.08Å; K136-E139 PolarHBondContact O-N 3.43Å; E139-S142 PolarHBondContact O-N 3.5Å; E139-S143 WeakPolarHBondContact O-CB 3.35Å; E139-S143 PolarHBondContact O-N 3.4Å |
| 140 | V | 92.5 | Very high | 93.9 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | K136 V137 S142 S143 R144 | K136-V140 WeakPolarHBondContact O-CG2 3.47Å; K136-V140 PolarHBondContact O-N 3.2Å; V137-V140 PolarHBondContact O-N 3.42Å; V140-S142 VanDerWaalsContact C-N 3.33Å; V140-S142 PolarHBondContact O-N 3.47Å; V140-S143 PolarHBondContact O-N 2.89Å; V140-R144 WeakPolarHBondContact O-CB 3.33Å; V140-R144 PolarHBondContact O-N 3.4Å |
| 141 | L | 95.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 177.5 | -72.8 | 174.9 | 0 | 0 | 0 | 111.6 | V137 R144 L145 | V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.4Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.04Å; L141-R144 PolarHBondContact O-N 3.49Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 2.97Å |
| 142 | S | 94.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 102.4 Ų | 102.4 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | G138 E139 V140 K146 | G138-S142 WeakPolarHBondContact O-CB 3.4Å; G138-S142 PolarHBondContact O-N 3.23Å; G138-S142 PolarHBondContact O-OG 3.25Å; E139-S142 PolarHBondContact O-N 3.5Å; V140-S142 VanDerWaalsContact C-N 3.33Å; V140-S142 PolarHBondContact O-N 3.47Å; S142-K146 WeakPolarHBondContact O-CG 3.5Å; S142-K146 PolarHBondContact O-N 3.34Å; S142-K146 VanDerWaalsContact O-N 3.16Å |
| 143 | S | 92.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 112 | E139 V140 K146 S147 | E139-S143 WeakPolarHBondContact O-CB 3.35Å; E139-S143 PolarHBondContact O-N 3.4Å; V140-S143 PolarHBondContact O-N 2.89Å; S143-K146 PolarHBondContact O-N 3.42Å; S143-S147 WeakPolarHBondContact O-CB 3.33Å; S143-S147 PolarHBondContact O-N 2.98Å; S143-S147 PolarHBondContact O-OG 3.28Å |
| 144 | R | 93 | Very high | 93.2 | Very high | 159 Ų | 159 | 100.7 Ų | 100.7 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -48.9 | 175.2 | 179.5 | -173.3 | 163.2 | -164.4 | -5 | 111.5 | V140 L141 K146 S147 E148 | V140-R144 WeakPolarHBondContact O-CB 3.33Å; V140-R144 PolarHBondContact O-N 3.4Å; L141-R144 PolarHBondContact O-N 3.49Å; R144-K146 PolarHBondContact O-N 2.9Å; R144-S147 WeakPolarHBondContact O-CB 3.39Å; R144-S147 PolarHBondContact O-N 3.36Å; R144-S147 VanDerWaalsContact O-N 3.13Å; R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 PolarHBondContact O-N 3.03Å |
| 145 | L | 94.7 | Very high | 92.9 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 179.2 | -74.8 | 170.3 | 0 | 0 | 0 | 111.7 | L141 S147 E148 E149 | L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 2.97Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.46Å; L145-E148 PolarHBondContact O-N 2.98Å; L145-E149 WeakPolarHBondContact O-CG 3.44Å; L145-E149 PolarHBondContact O-N 3.24Å |
| 146 | K | 93 | Very high | 92.8 | Very high | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | 175 | -71.5 | 175.5 | -178.6 | -179.7 | 0 | 112.6 | S142 S143 R144 K150 | S142-K146 WeakPolarHBondContact O-CG 3.5Å; S142-K146 PolarHBondContact O-N 3.34Å; S142-K146 VanDerWaalsContact O-N 3.16Å; S143-K146 PolarHBondContact O-N 3.42Å; R144-K146 PolarHBondContact O-N 2.9Å; K146-K150 WeakPolarHBondContact O-CG 3.38Å; K146-K150 PolarHBondContact O-N 3.28Å; K146-K150 VanDerWaalsContact O-N 3.12Å |
| 147 | S | 88.7 | Confident | 92.6 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | S143 R144 L145 K150 F151 | S143-S147 WeakPolarHBondContact O-CB 3.33Å; S143-S147 PolarHBondContact O-N 2.98Å; S143-S147 PolarHBondContact O-OG 3.28Å; R144-S147 WeakPolarHBondContact O-CB 3.39Å; R144-S147 PolarHBondContact O-N 3.36Å; R144-S147 VanDerWaalsContact O-N 3.13Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.46Å; S147-K150 PolarHBondContact O-N 2.72Å; S147-F151 WeakPolarHBondContact O-CB 3.47Å; S147-F151 PolarHBondContact O-N 2.67Å |
| 148 | E | 92.6 | Very high | 92.4 | Very high | 80 Ų | 80 | 104 Ų | 104 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.4 | -170.9 | 169.7 | 178 | 0 | 0 | 111.8 | R144 L145 K150 F151 Q152 | R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 PolarHBondContact O-N 3.03Å; L145-E148 PolarHBondContact O-N 2.98Å; E148-K150 PolarHBondContact O-N 2.98Å; E148-F151 PolarHBondContact O-N 2.91Å; E148-Q152 WeakPolarHBondContact O-CG 3.47Å; E148-Q152 PolarHBondContact O-N 2.94Å |
| 149 | E | 92.4 | Very high | 92.2 | Very high | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.6 | -44.3 | 173 | -73.8 | 175.2 | 170 | 0 | 0 | 112.2 | L145 Q152 S153 | L145-E149 WeakPolarHBondContact O-CG 3.44Å; L145-E149 PolarHBondContact O-N 3.24Å; E149-Q152 PolarHBondContact O-N 2.98Å; E149-S153 WeakPolarHBondContact O-CB 3.04Å; E149-S153 PolarHBondContact O-N 3.39Å |
| 150 | K | 92.4 | Very high | 92.1 | Very high | 156 Ų | 156 | 104.3 Ų | 104.3 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 175.4 | -74.9 | 176.3 | -178.9 | -176.1 | 0 | 111.5 | K146 S147 E148 S153 L154 | K146-K150 WeakPolarHBondContact O-CG 3.38Å; K146-K150 PolarHBondContact O-N 3.28Å; K146-K150 VanDerWaalsContact O-N 3.12Å; S147-K150 PolarHBondContact O-N 2.72Å; E148-K150 PolarHBondContact O-N 2.98Å; K150-S153 PolarHBondContact O-N 3.22Å; K150-L154 WeakPolarHBondContact O-CB 3.46Å; K150-L154 PolarHBondContact O-N 2.88Å |
| 151 | F | 91.3 | Very high | 92 | Very high | 150 Ų | 150 | 104.4 Ų | 104.4 | 66% | 0.658 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 178 | -176.9 | -95.9 | 0 | 0 | 0 | 111.7 | S147 E148 S153 L154 S155 | S147-F151 WeakPolarHBondContact O-CB 3.47Å; S147-F151 PolarHBondContact O-N 2.67Å; E148-F151 PolarHBondContact O-N 2.91Å; F151-S153 VanDerWaalsContact C-N 3.35Å; F151-S153 PolarHBondContact O-N 3.43Å; F151-L154 PolarHBondContact O-N 2.97Å; F151-S155 WeakPolarHBondContact O-CB 3.42Å; F151-S155 PolarHBondContact O-N 3.46Å |
| 152 | Q | 92.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 175.8 | -71.5 | 178.7 | 14.3 | 0 | 0 | 112.2 | E148 E149 S155 K156 | E148-Q152 WeakPolarHBondContact O-CG 3.47Å; E148-Q152 PolarHBondContact O-N 2.94Å; E149-Q152 PolarHBondContact O-N 2.98Å; Q152-S155 PolarHBondContact O-N 2.91Å; Q152-K156 WeakPolarHBondContact O-CG 3.29Å; Q152-K156 PolarHBondContact O-N 2.93Å |
| 153 | S | 92.7 | Very high | 91.4 | Very high | 55 Ų | 55 | 103.1 Ų | 103.1 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | E149 K150 F151 K156 K157 | E149-S153 WeakPolarHBondContact O-CB 3.04Å; E149-S153 PolarHBondContact O-N 3.39Å; K150-S153 PolarHBondContact O-N 3.22Å; F151-S153 VanDerWaalsContact C-N 3.35Å; F151-S153 PolarHBondContact O-N 3.43Å; S153-K156 PolarHBondContact O-N 3.18Å; S153-K157 WeakPolarHBondContact O-CG 3.34Å; S153-K157 PolarHBondContact O-N 3.44Å |
| 154 | L | 89.5 | Confident | 91.2 | Very high | 118 Ų | 118 | 107.2 Ų | 107.2 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 177.3 | -172 | 65.7 | 0 | 0 | 0 | 111.8 | K150 F151 K156 K157 Y158 | K150-L154 WeakPolarHBondContact O-CB 3.46Å; K150-L154 PolarHBondContact O-N 2.88Å; F151-L154 PolarHBondContact O-N 2.97Å; L154-K156 PolarHBondContact O-N 3.11Å; L154-K157 PolarHBondContact O-N 2.84Å; L154-Y158 WeakPolarHBondContact O-CB 3.4Å; L154-Y158 PolarHBondContact O-N 2.91Å |
| 155 | S | 91 | Very high | 90.9 | Very high | 51 Ų | 51 | 106.3 Ų | 106.3 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | F151 Q152 K157 Y158 D159 | F151-S155 WeakPolarHBondContact O-CB 3.42Å; F151-S155 PolarHBondContact O-N 3.46Å; Q152-S155 PolarHBondContact O-N 2.91Å; S155-K157 VanDerWaalsContact C-N 3.34Å; S155-K157 PolarHBondContact O-N 2.95Å; S155-Y158 WeakPolarHBondContact O-CB 3.43Å; S155-Y158 PolarHBondContact O-N 3.01Å; S155-D159 PolarHBondContact O-N 3.34Å |
| 156 | K | 91.9 | Very high | 90.6 | Very high | 150 Ų | 150 | 109.9 Ų | 109.9 | 65% | 0.652 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 176.1 | -73.3 | 176.3 | -178.7 | 177.3 | 0 | 112.4 | Q152 S153 L154 Y158 A160 | Q152-K156 WeakPolarHBondContact O-CG 3.29Å; Q152-K156 PolarHBondContact O-N 2.93Å; S153-K156 PolarHBondContact O-N 3.18Å; L154-K156 PolarHBondContact O-N 3.11Å; K156-Y158 VanDerWaalsContact C-N 3.35Å; K156-A160 WeakPolarHBondContact O-CB 3.38Å; K156-A160 PolarHBondContact O-N 3.27Å |
| 157 | K | 91.5 | Very high | 90.5 | Very high | 136 Ų | 136 | 108.7 Ų | 108.7 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 176.8 | -72 | 176.1 | -176.3 | -177.7 | 0 | 111.6 | S153 L154 S155 A160 L161 | S153-K157 WeakPolarHBondContact O-CG 3.34Å; S153-K157 PolarHBondContact O-N 3.44Å; L154-K157 PolarHBondContact O-N 2.84Å; S155-K157 VanDerWaalsContact C-N 3.34Å; S155-K157 PolarHBondContact O-N 2.95Å; K157-A160 PolarHBondContact O-N 3.26Å; K157-L161 WeakPolarHBondContact O-CB 3.26Å; K157-L161 PolarHBondContact O-N 2.93Å |
| 158 | Y | 89.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 112.2 Ų | 112.2 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 177 | -179.9 | -101 | 0 | 0 | 0 | 111.7 | L154 S155 K156 A160 L161 L162 | L154-Y158 WeakPolarHBondContact O-CB 3.4Å; L154-Y158 PolarHBondContact O-N 2.91Å; S155-Y158 WeakPolarHBondContact O-CB 3.43Å; S155-Y158 PolarHBondContact O-N 3.01Å; K156-Y158 VanDerWaalsContact C-N 3.35Å; Y158-A160 VanDerWaalsContact C-N 3.31Å; Y158-A160 PolarHBondContact O-N 3.45Å; Y158-L161 WeakPolarHBondContact O-CB 3.47Å; Y158-L161 PolarHBondContact O-N 3.46Å; Y158-L161 VanDerWaalsContact O-N 3.1Å; Y158-L162 HydrophobicContact CD1-CD1 3.91Å; Y158-L162 HydrophobicContact CD1-CG 4.44Å; Y158-L162 HydrophobicContact CE1-CD1 3.3Å; Y158-L162 HydrophobicContact CE1-CG 4.03Å; Y158-L162 HydrophobicContact CE2-CG 4.49Å; Y158-L162 PolarHBondContact O-N 3.04Å |
| 159 | D | 91.3 | Very high | 90.1 | Very high | 93 Ų | 93 | 110.7 Ų | 110.7 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.1 | -66.8 | -29.5 | 0 | 0 | 0 | 111.7 | S155 L161 L162 G163 | S155-D159 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.41Å; D159-L162 PolarHBondContact O-N 2.94Å; D159-G163 PolarHBondContact O-N 2.89Å |
| 160 | A | 90.9 | Very high | 89.9 | Confident | 49 Ų | 49 | 109.5 Ų | 109.5 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K156 K157 Y158 R164 | K156-A160 WeakPolarHBondContact O-CB 3.38Å; K156-A160 PolarHBondContact O-N 3.27Å; K157-A160 PolarHBondContact O-N 3.26Å; Y158-A160 VanDerWaalsContact C-N 3.31Å; Y158-A160 PolarHBondContact O-N 3.45Å; A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 WeakPolarHBondContact O-CG 3.36Å; A160-R164 PolarHBondContact O-N 2.82Å; A160-R164 PolarHBondContact O-NE 3.02Å |
| 161 | L | 89.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 175.6 | -174.9 | 67.7 | 0 | 0 | 0 | 111 | K157 Y158 D159 G163 R164 H165 | K157-L161 WeakPolarHBondContact O-CB 3.26Å; K157-L161 PolarHBondContact O-N 2.93Å; Y158-L161 WeakPolarHBondContact O-CB 3.47Å; Y158-L161 PolarHBondContact O-N 3.46Å; Y158-L161 VanDerWaalsContact O-N 3.1Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.41Å; L161-G163 VanDerWaalsContact C-N 3.31Å; L161-G163 PolarHBondContact O-N 2.99Å; L161-R164 PolarHBondContact O-N 3.42Å; L161-H165 WeakPolarHBondContact O-CB 3.44Å; L161-H165 PolarHBondContact O-N 3.47Å |
| 162 | L | 87.7 | Confident | 89.3 | Confident | 86 Ų | 86 | 103.6 Ų | 103.6 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 174.8 | -74.2 | 179.8 | 0 | 0 | 0 | 111.8 | Y158 D159 H165 R166 | Y158-L162 HydrophobicContact CD1-CD1 3.91Å; Y158-L162 HydrophobicContact CD1-CG 4.44Å; Y158-L162 HydrophobicContact CE1-CD1 3.3Å; Y158-L162 HydrophobicContact CE1-CG 4.03Å; Y158-L162 HydrophobicContact CE2-CG 4.49Å; Y158-L162 PolarHBondContact O-N 3.04Å; D159-L162 PolarHBondContact O-N 2.94Å; L162-H165 PolarHBondContact O-N 3.17Å; L162-R166 WeakPolarHBondContact O-CB 3.37Å; L162-R166 PolarHBondContact O-N 2.81Å |
| 163 | G | 89.9 | Confident | 88.8 | Confident | 38 Ų | 38 | 106.4 Ų | 106.4 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D159 L161 R166 Q167 | D159-G163 PolarHBondContact O-N 2.89Å; L161-G163 VanDerWaalsContact C-N 3.31Å; L161-G163 PolarHBondContact O-N 2.99Å; G163-R166 PolarHBondContact O-N 3.26Å; G163-Q167 WeakPolarHBondContact O-CB 3.49Å; G163-Q167 PolarHBondContact O-N 2.89Å |
| 164 | R | 89.2 | Confident | 88.4 | Confident | 158 Ų | 158 | 107.6 Ų | 107.6 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 176.2 | -77.6 | -174.1 | -72.6 | 174.8 | -1.2 | 112.4 | A160 L161 R166 Q167 R168 | A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 WeakPolarHBondContact O-CG 3.36Å; A160-R164 PolarHBondContact O-N 2.82Å; A160-R164 PolarHBondContact O-NE 3.02Å; L161-R164 PolarHBondContact O-N 3.42Å; R164-R166 PolarHBondContact O-N 3.34Å; R164-Q167 PolarHBondContact O-N 3.48Å; R164-R168 WeakPolarHBondContact O-CB 3.44Å; R164-R168 PolarHBondContact O-N 3.5Å |
| 165 | H | 86.6 | Confident | 88.1 | Confident | 139 Ų | 139 | 107 Ų | 107 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 176.7 | -176.7 | -80.9 | 0 | 0 | 0 | 111.3 | L161 L162 R168 S169 | L161-H165 WeakPolarHBondContact O-CB 3.44Å; L161-H165 PolarHBondContact O-N 3.47Å; L162-H165 PolarHBondContact O-N 3.17Å; H165-R168 PolarHBondContact O-N 3.04Å; H165-S169 VanDerWaalsContact O-CB 3.27Å; H165-S169 WeakPolarHBondContact O-CB 3.43Å; H165-S169 PolarHBondContact O-N 2.9Å |
| 166 | R | 88.8 | Confident | 87.5 | Confident | 178 Ų | 178 | 110 Ų | 110 | 67% | 0.672 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 176.4 | -173.7 | 177.2 | -177.5 | 165.6 | 2 | 112 | L162 G163 R164 S169 Q170 | L162-R166 WeakPolarHBondContact O-CB 3.37Å; L162-R166 PolarHBondContact O-N 2.81Å; G163-R166 PolarHBondContact O-N 3.26Å; R164-R166 PolarHBondContact O-N 3.34Å; R166-S169 PolarHBondContact O-N 3.27Å; R166-Q170 WeakPolarHBondContact O-CG 3.5Å; R166-Q170 PolarHBondContact O-N 3.03Å |
| 167 | Q | 89.3 | Confident | 86.6 | Confident | 111 Ų | 111 | 110 Ų | 110 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 178.1 | -175.5 | -178.7 | 14 | 0 | 0 | 111.7 | G163 R164 S169 Q170 Q171 | G163-Q167 WeakPolarHBondContact O-CB 3.49Å; G163-Q167 PolarHBondContact O-N 2.89Å; R164-Q167 PolarHBondContact O-N 3.48Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; Q167-S169 PolarHBondContact O-N 3.46Å; Q167-Q170 PolarHBondContact O-N 2.88Å; Q167-Q171 WeakPolarHBondContact O-CG 3.45Å; Q167-Q171 PolarHBondContact O-N 3.43Å |
| 168 | R | 87.1 | Confident | 85.8 | Confident | 139 Ų | 139 | 110 Ų | 110 | 53% | 0.525 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.3 | -39.2 | 179.6 | -169.6 | 61.3 | 172.6 | 170.8 | 2.3 | 111.6 | R164 H165 Q171 L172 | R164-R168 WeakPolarHBondContact O-CB 3.44Å; R164-R168 PolarHBondContact O-N 3.5Å; H165-R168 PolarHBondContact O-N 3.04Å; R168-Q171 PolarHBondContact O-N 3.04Å; R168-L172 HydrophobicContact CG-CD1 4.15Å; R168-L172 WeakPolarHBondContact O-CB 3.37Å; R168-L172 WeakPolarHBondContact O-CD1 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.35Å; R168-L172 PolarHBondContact O-N 3.33Å |
| 169 | S | 86.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 109.8 Ų | 109.8 | 33% | 0.329 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.6 | -41.5 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | H165 R166 Q167 Q173 | H165-S169 VanDerWaalsContact O-CB 3.27Å; H165-S169 WeakPolarHBondContact O-CB 3.43Å; H165-S169 PolarHBondContact O-N 2.9Å; R166-S169 PolarHBondContact O-N 3.27Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; Q167-S169 PolarHBondContact O-N 3.46Å; S169-Q173 WeakPolarHBondContact O-CG 3.34Å; S169-Q173 PolarHBondContact O-N 3.44Å; S169-Q173 VanDerWaalsContact O-N 3.13Å |
| 170 | Q | 88.2 | Confident | 84.6 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 175.4 | -73.7 | 175.6 | -17.7 | 0 | 0 | 112.6 | R166 Q167 Q173 A174 | R166-Q170 WeakPolarHBondContact O-CG 3.5Å; R166-Q170 PolarHBondContact O-N 3.03Å; Q167-Q170 PolarHBondContact O-N 2.88Å; Q170-Q173 PolarHBondContact O-N 3.23Å; Q170-A174 WeakPolarHBondContact O-CB 3.32Å; Q170-A174 PolarHBondContact O-N 2.98Å; Q170-A174 VanDerWaalsContact O-N 3.07Å |
| 171 | Q | 87.3 | Confident | 84 | Confident | 78 Ų | 78 | 113.7 Ų | 113.7 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.5 | -49.8 | 174.6 | -73.7 | 172.5 | -12.6 | 0 | 0 | 111.1 | Q167 R168 Q173 A174 E175 | Q167-Q171 WeakPolarHBondContact O-CG 3.45Å; Q167-Q171 PolarHBondContact O-N 3.43Å; R168-Q171 PolarHBondContact O-N 3.04Å; Q171-Q173 PolarHBondContact O-N 2.91Å; Q171-A174 PolarHBondContact O-N 3.44Å; Q171-E175 WeakPolarHBondContact O-CG 3.25Å; Q171-E175 PolarHBondContact O-N 3.47Å |
| 172 | L | 83.3 | Confident | 83.9 | Confident | 103 Ų | 103 | 112 Ų | 112 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.2 | -35.4 | 176.3 | -82.2 | 155.9 | 0 | 0 | 0 | 112.8 | R168 | R168-L172 HydrophobicContact CG-CD1 4.15Å; R168-L172 WeakPolarHBondContact O-CB 3.37Å; R168-L172 WeakPolarHBondContact O-CD1 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.35Å; R168-L172 PolarHBondContact O-N 3.33Å |
| 173 | Q | 82.5 | Confident | 83.8 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.8 | -27.9 | 175.6 | -74.2 | 175.4 | -1.8 | 0 | 0 | 113.5 | S169 Q170 Q171 | S169-Q173 WeakPolarHBondContact O-CG 3.34Å; S169-Q173 PolarHBondContact O-N 3.44Å; S169-Q173 VanDerWaalsContact O-N 3.13Å; Q170-Q173 PolarHBondContact O-N 3.23Å; Q171-Q173 PolarHBondContact O-N 2.91Å |
| 174 | A | 85.3 | Confident | 83.6 | Confident | 79 Ų | 79 | 116.6 Ų | 116.6 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -91.8 | -16.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q170 Q171 V176 | Q170-A174 WeakPolarHBondContact O-CB 3.32Å; Q170-A174 PolarHBondContact O-N 2.98Å; Q170-A174 VanDerWaalsContact O-N 3.07Å; Q171-A174 PolarHBondContact O-N 3.44Å; A174-V176 PolarHBondContact O-N 3.31Å |
| 175 | E | 81.9 | Confident | 83.5 | Confident | 107 Ų | 107 | 113.2 Ų | 113.2 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -61.7 | 124.3 | 177.4 | -84.7 | 171.7 | -175 | 0 | 0 | 111 | Q171 I177 | Q171-E175 WeakPolarHBondContact O-CG 3.25Å; Q171-E175 PolarHBondContact O-N 3.47Å; E175-I177 PolarHBondContact O-N 2.91Å |
| 176 | V | 78.7 | Confident | 83.5 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | trans | -73 | 120.7 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | A174 N178 | A174-V176 PolarHBondContact O-N 3.31Å; V176-N178 PolarHBondContact O-N 2.93Å | ||
| 177 | I | 74.4 | Confident | 83.5 | Confident | 149 Ų | 149 | 107.5 Ų | 107.5 | 76% | 0.764 | 56% | 0.558 | S | S | * | * | trans | -69.2 | 96.2 | 178.2 | -55.2 | 173.8 | 0 | 0 | 0 | 108.7 | E175 L179 | E175-I177 PolarHBondContact O-N 2.91Å; I177-L179 HydrophobicContact CG2-CD1 3.65Å; I177-L179 PolarHBondContact O-N 3.07Å | ||
| 178 | N | 72.7 | Confident | 83.5 | Confident | 137 Ų | 137 | 106.8 Ų | 106.8 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | trans | -85.6 | 105.1 | 173.1 | -68.9 | -52.3 | 0 | 0 | 0 | 109.3 | V176 | V176-N178 PolarHBondContact O-N 2.93Š| ||
| 179 | L | 75.5 | Confident | 83.6 | Confident | 134 Ų | 134 | 103.1 Ų | 103.1 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | trans | -76.2 | 129.5 | 174.4 | -109.6 | 72.4 | 0 | 0 | 0 | 110.2 | I177 Q181 | I177-L179 HydrophobicContact CG2-CD1 3.65Å; I177-L179 PolarHBondContact O-N 3.07Å; L179-Q181 PolarHBondContact O-N 3.04Å | ||
| 180 | P | 81.1 | Confident | 83.7 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 28% | 0.279 | 55% | 0.549 | S | S | . | . | trans | -54.8 | 131.8 | 173.9 | -25.6 | 34.6 | 0 | 0 | 0 | 111.8 | E185 L186 L189 | P180-E185 HydrophobicContact CB-CB 3.84Å; P180-L186 HydrophobicContact CB-CB 3.91Å; P180-L186 HydrophobicContact CB-CD1 4.4Å; P180-L186 HydrophobicContact CG-CB 4.24Å; P180-L186 HydrophobicContact CG-CD1 3.92Å; P180-L189 HydrophobicContact CG-CB 4.47Å; P180-L189 HydrophobicContact CG-CD2 3.66Å | ||
| 181 | Q | 79.3 | Confident | 83.9 | Confident | 181 Ų | 181 | 104 Ų | 104 | 85% | 0.846 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -91.9 | -21.2 | -179.6 | -63.4 | -176 | 7.4 | 0 | 0 | 112.2 | L179 E185 | L179-Q181 PolarHBondContact O-N 3.04Å; Q181-E185 PolarHBondContact N-OE2 3.45Å |
| 182 | T | 85.7 | Confident | 84 | Confident | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -120 | 154.6 | 178.4 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | D184 E185 L186 | T182-D184 PolarHBondContact O-N 3.27Å; T182-E185 PolarHBondContact O-N 3.08Å; T182-E185 WeakPolarHBondContact OG1-CB 3.45Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 3.19Å; T182-E185 VanDerWaalsContact OG1-N 3.15Å; T182-E185 PolarHBondContact OG1-OE1 3.47Å; T182-E185 VanDerWaalsContact OG1-OE1 3.11Å; T182-L186 PolarHBondContact O-N 2.89Å; T182-L186 VanDerWaalsContact O-N 3.07Å |
| 183 | V | 86.6 | Confident | 84.3 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -35.2 | 174 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L186 H187 | V183-L186 PolarHBondContact O-N 3.31Å; V183-H187 WeakPolarHBondContact CG1-CE1 3.38Å; V183-H187 WeakPolarHBondContact CG1-ND1 3.34Å; V183-H187 PolarHBondContact O-N 2.95Å; V183-H187 PolarHBondContact O-ND1 2.97Å |
| 184 | D | 86.6 | Confident | 84.8 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 64% | 0.642 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.5 | -43.7 | 178.1 | -64.3 | -24.9 | 0 | 0 | 0 | 112.1 | T182 L186 H187 I188 | T182-D184 PolarHBondContact O-N 3.27Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.2Å; D184-H187 PolarHBondContact O-N 3.01Å; D184-I188 WeakPolarHBondContact O-CG1 3.41Å; D184-I188 PolarHBondContact O-N 2.9Å |
| 185 | E | 86.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 41% | 0.407 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 172.7 | -76.3 | 161.1 | -143.2 | 0 | 0 | 111.9 | P180 Q181 T182 I188 L189 | P180-E185 HydrophobicContact CB-CB 3.84Å; Q181-E185 PolarHBondContact N-OE2 3.45Å; T182-E185 PolarHBondContact O-N 3.08Å; T182-E185 WeakPolarHBondContact OG1-CB 3.45Å; T182-E185 WeakPolarHBondContact OG1-CG 3.49Å; T182-E185 PolarHBondContact OG1-N 3.19Å; T182-E185 VanDerWaalsContact OG1-N 3.15Å; T182-E185 PolarHBondContact OG1-OE1 3.47Å; T182-E185 VanDerWaalsContact OG1-OE1 3.11Å; E185-I188 PolarHBondContact O-N 3.3Å; E185-L189 WeakPolarHBondContact O-CB 3.5Å; E185-L189 PolarHBondContact O-N 2.95Å |
| 186 | L | 86.7 | Confident | 85.7 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 44% | 0.44 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.9 | -177.8 | 65.8 | 0 | 0 | 0 | 111.6 | P180 T182 V183 D184 L189 C190 | P180-L186 HydrophobicContact CB-CB 3.91Å; P180-L186 HydrophobicContact CB-CD1 4.4Å; P180-L186 HydrophobicContact CG-CB 4.24Å; P180-L186 HydrophobicContact CG-CD1 3.92Å; T182-L186 PolarHBondContact O-N 2.89Å; T182-L186 VanDerWaalsContact O-N 3.07Å; V183-L186 PolarHBondContact O-N 3.31Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.2Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-C190 WeakPolarHBondContact O-CB 3.42Å; L186-C190 PolarHBondContact O-N 3.33Å; L186-C190 PolarHBondContact O-SG 3.44Å |
| 187 | H | 89 | Confident | 86.4 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.8 | -79.1 | 92.9 | 0 | 0 | 0 | 111.3 | V183 D184 C190 L191 | V183-H187 WeakPolarHBondContact CG1-CE1 3.38Å; V183-H187 WeakPolarHBondContact CG1-ND1 3.34Å; V183-H187 PolarHBondContact O-N 2.95Å; V183-H187 PolarHBondContact O-ND1 2.97Å; D184-H187 PolarHBondContact O-N 3.01Å; H187-C190 PolarHBondContact O-N 3.49Å; H187-L191 WeakPolarHBondContact O-CG 3.3Å; H187-L191 PolarHBondContact O-N 3.02Å |
| 188 | I | 89 | Confident | 87.3 | Confident | 96 Ų | 96 | 102.7 Ų | 102.7 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.5 | -67.5 | 167 | 0 | 0 | 0 | 110.3 | D184 E185 C190 L191 Q192 | D184-I188 WeakPolarHBondContact O-CG1 3.41Å; D184-I188 PolarHBondContact O-N 2.9Å; E185-I188 PolarHBondContact O-N 3.3Å; I188-C190 VanDerWaalsContact C-N 3.32Å; I188-C190 PolarHBondContact O-N 3.44Å; I188-L191 PolarHBondContact O-N 3.46Å; I188-Q192 HydrophobicContact CG2-CG 4.48Å; I188-Q192 WeakPolarHBondContact O-CG 3.45Å; I188-Q192 PolarHBondContact O-N 3.24Å |
| 189 | L | 88.4 | Confident | 88.2 | Confident | 62 Ų | 62 | 102.1 Ų | 102.1 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 178.1 | -179.1 | 63.5 | 0 | 0 | 0 | 111.8 | P180 E185 L186 L191 Q192 L193 | P180-L189 HydrophobicContact CG-CB 4.47Å; P180-L189 HydrophobicContact CG-CD2 3.66Å; E185-L189 WeakPolarHBondContact O-CB 3.5Å; E185-L189 PolarHBondContact O-N 2.95Å; L186-L189 PolarHBondContact O-N 3.28Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 2.96Å; L189-Q192 PolarHBondContact O-N 3.41Å; L189-L193 HydrophobicContact CD1-CD1 4.39Å; L189-L193 HydrophobicContact CD1-CG 4.35Å; L189-L193 HydrophobicContact CG-CD1 4.15Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CG 3.06Å; L189-L193 PolarHBondContact O-N 3.24Å |
| 190 | C | 89.6 | Confident | 88.9 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 177.3 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | L186 H187 I188 K194 | L186-C190 WeakPolarHBondContact O-CB 3.42Å; L186-C190 PolarHBondContact O-N 3.33Å; L186-C190 PolarHBondContact O-SG 3.44Å; H187-C190 PolarHBondContact O-N 3.49Å; I188-C190 VanDerWaalsContact C-N 3.32Å; I188-C190 PolarHBondContact O-N 3.44Å; C190-K194 WeakPolarHBondContact O-CB 3.31Å; C190-K194 VanDerWaalsContact O-CG 3.24Å; C190-K194 WeakPolarHBondContact O-CG 3.44Å; C190-K194 PolarHBondContact O-N 2.87Å; C190-K194 VanDerWaalsContact O-N 3.09Å |
| 191 | L | 91.1 | Very high | 89.5 | Confident | 116 Ų | 116 | 103.4 Ų | 103.4 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -44.8 | 174 | -73 | 171.7 | 0 | 0 | 0 | 111 | H187 I188 L189 K194 E195 | H187-L191 WeakPolarHBondContact O-CG 3.3Å; H187-L191 PolarHBondContact O-N 3.02Å; I188-L191 PolarHBondContact O-N 3.46Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 2.96Å; L191-K194 PolarHBondContact O-N 3.35Å; L191-E195 WeakPolarHBondContact O-CB 3.46Å; L191-E195 PolarHBondContact O-N 3.4Å |
| 192 | Q | 90.1 | Very high | 90.1 | Very high | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 175.6 | -72.7 | 174.1 | -25.3 | 0 | 0 | 111.7 | I188 L189 K194 E195 E196 | I188-Q192 HydrophobicContact CG2-CG 4.48Å; I188-Q192 WeakPolarHBondContact O-CG 3.45Å; I188-Q192 PolarHBondContact O-N 3.24Å; L189-Q192 PolarHBondContact O-N 3.41Å; Q192-K194 VanDerWaalsContact C-N 3.3Å; Q192-K194 PolarHBondContact O-N 3.04Å; Q192-E195 WeakPolarHBondContact O-CB 3.5Å; Q192-E195 PolarHBondContact O-N 3.46Å; Q192-E196 WeakPolarHBondContact O-CG 3.42Å; Q192-E196 PolarHBondContact O-N 2.87Å |
| 193 | L | 90.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 177.3 | -70.6 | 173.2 | 0 | 0 | 0 | 112.9 | L189 L197 | L189-L193 HydrophobicContact CD1-CD1 4.39Å; L189-L193 HydrophobicContact CD1-CG 4.35Å; L189-L193 HydrophobicContact CG-CD1 4.15Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CG 3.06Å; L189-L193 PolarHBondContact O-N 3.24Å; L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 PolarHBondContact O-N 2.93Å |
| 194 | K | 93 | Very high | 90.7 | Very high | 134 Ų | 134 | 100 Ų | 100 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -39.1 | 174.1 | -79.7 | 176 | -179.6 | -179.6 | 0 | 111.8 | C190 L191 Q192 L197 L198 | C190-K194 WeakPolarHBondContact O-CB 3.31Å; C190-K194 VanDerWaalsContact O-CG 3.24Å; C190-K194 WeakPolarHBondContact O-CG 3.44Å; C190-K194 PolarHBondContact O-N 2.87Å; C190-K194 VanDerWaalsContact O-N 3.09Å; L191-K194 PolarHBondContact O-N 3.35Å; Q192-K194 VanDerWaalsContact C-N 3.3Å; Q192-K194 PolarHBondContact O-N 3.04Å; K194-L197 PolarHBondContact O-N 3.43Å; K194-L198 WeakPolarHBondContact O-CB 3.41Å; K194-L198 VanDerWaalsContact O-CG 3.24Å; K194-L198 WeakPolarHBondContact O-CG 3.36Å; K194-L198 PolarHBondContact O-N 3.22Å |
| 195 | E | 92.4 | Very high | 91 | Very high | 121 Ų | 121 | 100.7 Ų | 100.7 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -49.5 | 175.3 | -172.2 | 167.9 | -155.4 | 0 | 0 | 110.7 | L191 Q192 L197 L198 E199 | L191-E195 WeakPolarHBondContact O-CB 3.46Å; L191-E195 PolarHBondContact O-N 3.4Å; Q192-E195 WeakPolarHBondContact O-CB 3.5Å; Q192-E195 PolarHBondContact O-N 3.46Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 2.76Å; E195-L198 WeakPolarHBondContact O-CB 3.27Å; E195-L198 PolarHBondContact O-N 3.34Å; E195-L198 VanDerWaalsContact O-N 3.09Å; E195-E199 WeakPolarHBondContact O-CG 3.5Å; E195-E199 PolarHBondContact O-N 3.27Å |
| 196 | E | 92.3 | Very high | 91.2 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | 174.9 | -70.7 | 179.6 | -177.6 | 0 | 0 | 112.5 | Q192 E199 S200 | Q192-E196 WeakPolarHBondContact O-CG 3.42Å; Q192-E196 PolarHBondContact O-N 2.87Å; E196-E199 PolarHBondContact O-N 2.74Å; E196-S200 WeakPolarHBondContact O-CB 3.44Å; E196-S200 PolarHBondContact O-N 3.02Å |
| 197 | L | 93 | Very high | 91.5 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.6 | -176.7 | 69.1 | 0 | 0 | 0 | 111.9 | L193 K194 E195 R201 | L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 PolarHBondContact O-N 2.93Å; K194-L197 PolarHBondContact O-N 3.43Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 2.76Å; L197-R201 WeakPolarHBondContact O-CB 3.37Å; L197-R201 VanDerWaalsContact O-CG 3.29Å; L197-R201 WeakPolarHBondContact O-CG 3.49Å; L197-R201 PolarHBondContact O-N 3.29Å |
| 198 | L | 93.5 | Very high | 91.7 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.3 | -76.3 | 166.9 | 0 | 0 | 0 | 110.8 | K194 E195 S200 R201 I202 | K194-L198 WeakPolarHBondContact O-CB 3.41Å; K194-L198 VanDerWaalsContact O-CG 3.24Å; K194-L198 WeakPolarHBondContact O-CG 3.36Å; K194-L198 PolarHBondContact O-N 3.22Å; E195-L198 WeakPolarHBondContact O-CB 3.27Å; E195-L198 PolarHBondContact O-N 3.34Å; E195-L198 VanDerWaalsContact O-N 3.09Å; L198-S200 VanDerWaalsContact C-N 3.34Å; L198-S200 PolarHBondContact O-N 3.33Å; L198-R201 PolarHBondContact O-N 2.95Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.34Å; L198-I202 PolarHBondContact O-N 2.9Å |
| 199 | E | 92.3 | Very high | 91.8 | Very high | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.4 | -45.1 | 175.6 | -71.2 | -176.2 | 168.7 | 0 | 0 | 111.9 | E195 E196 R201 I202 A203 | E195-E199 WeakPolarHBondContact O-CG 3.5Å; E195-E199 PolarHBondContact O-N 3.27Å; E196-E199 PolarHBondContact O-N 2.74Å; E199-R201 PolarHBondContact O-N 2.96Å; E199-I202 PolarHBondContact O-N 3.3Å; E199-A203 WeakPolarHBondContact O-CB 3.47Å; E199-A203 PolarHBondContact O-N 3.18Å |
| 200 | S | 89.9 | Confident | 92.1 | Very high | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | E196 L198 A203 E204 | E196-S200 WeakPolarHBondContact O-CB 3.44Å; E196-S200 PolarHBondContact O-N 3.02Å; L198-S200 VanDerWaalsContact C-N 3.34Å; L198-S200 PolarHBondContact O-N 3.33Å; S200-A203 PolarHBondContact O-N 2.92Å; S200-E204 WeakPolarHBondContact O-CB 3.43Å; S200-E204 PolarHBondContact O-N 3.36Å |
| 201 | R | 93.7 | Very high | 92.3 | Very high | 133 Ų | 133 | 106 Ų | 106 | 50% | 0.502 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 177.4 | -77.4 | 176.7 | -178.2 | -174.8 | 0.6 | 112.1 | L197 L198 E199 A203 E204 E205 | L197-R201 WeakPolarHBondContact O-CB 3.37Å; L197-R201 VanDerWaalsContact O-CG 3.29Å; L197-R201 WeakPolarHBondContact O-CG 3.49Å; L197-R201 PolarHBondContact O-N 3.29Å; L198-R201 PolarHBondContact O-N 2.95Å; E199-R201 PolarHBondContact O-N 2.96Å; R201-A203 VanDerWaalsContact C-N 3.28Å; R201-A203 PolarHBondContact O-N 3.45Å; R201-E204 PolarHBondContact O-N 3.01Å; R201-E205 WeakPolarHBondContact O-CG 3.46Å; R201-E205 PolarHBondContact O-N 3.4Å |
| 202 | I | 93 | Very high | 92.5 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 175.2 | -67.6 | 165.8 | 0 | 0 | 0 | 110.1 | L198 E199 H206 | L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.34Å; L198-I202 PolarHBondContact O-N 2.9Å; E199-I202 PolarHBondContact O-N 3.3Å; I202-H206 WeakPolarHBondContact O-CB 3.34Å; I202-H206 PolarHBondContact O-N 2.72Å |
| 203 | A | 92.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 106.8 Ų | 106.8 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E199 S200 R201 L207 | E199-A203 WeakPolarHBondContact O-CB 3.47Å; E199-A203 PolarHBondContact O-N 3.18Å; S200-A203 PolarHBondContact O-N 2.92Å; R201-A203 VanDerWaalsContact C-N 3.28Å; R201-A203 PolarHBondContact O-N 3.45Å; A203-L207 WeakPolarHBondContact O-CB 3.49Å; A203-L207 PolarHBondContact O-N 2.94Å |
| 204 | E | 92.1 | Very high | 92.8 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 174.5 | -176.8 | 177.1 | -171 | 0 | 0 | 111.6 | S200 R201 H206 L207 E208 | S200-E204 WeakPolarHBondContact O-CB 3.43Å; S200-E204 PolarHBondContact O-N 3.36Å; R201-E204 PolarHBondContact O-N 3.01Å; E204-H206 PolarHBondContact O-N 3.29Å; E204-L207 PolarHBondContact O-N 3.3Å; E204-L207 VanDerWaalsContact O-N 3.16Å; E204-E208 PolarHBondContact O-N 2.97Å |
| 205 | E | 92.2 | Very high | 92.8 | Very high | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 176.6 | -73.9 | 176.5 | 176.3 | 0 | 0 | 111.6 | R201 L207 E208 E209 | R201-E205 WeakPolarHBondContact O-CG 3.46Å; R201-E205 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 3.2Å; E205-E208 PolarHBondContact O-N 3.35Å; E205-E209 WeakPolarHBondContact O-CB 3.45Å; E205-E209 PolarHBondContact O-N 3.49Å |
| 206 | H | 91.9 | Very high | 92.9 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 175.7 | -177.6 | -67.7 | 0 | 0 | 0 | 112.1 | I202 E204 S210 | I202-H206 WeakPolarHBondContact O-CB 3.34Å; I202-H206 PolarHBondContact O-N 2.72Å; E204-H206 PolarHBondContact O-N 3.29Å; H206-S210 WeakPolarHBondContact O-CB 3.49Å; H206-S210 PolarHBondContact O-N 3.06Å |
| 207 | L | 92.9 | Very high | 93 | Very high | 103 Ų | 103 | 105.8 Ų | 105.8 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 176.8 | -176.9 | 65.5 | 0 | 0 | 0 | 111.3 | A203 E204 E205 S210 L211 | A203-L207 WeakPolarHBondContact O-CB 3.49Å; A203-L207 PolarHBondContact O-N 2.94Å; E204-L207 PolarHBondContact O-N 3.3Å; E204-L207 VanDerWaalsContact O-N 3.16Å; E205-L207 VanDerWaalsContact C-N 3.34Å; E205-L207 PolarHBondContact O-N 3.2Å; L207-S210 PolarHBondContact O-N 3.44Å; L207-L211 HydrophobicContact CD1-CG 4.48Å; L207-L211 HydrophobicContact CG-CD1 4.13Å; L207-L211 WeakPolarHBondContact O-CB 3.31Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.13Å |
| 208 | E | 92.3 | Very high | 93 | Very high | 86 Ų | 86 | 105.6 Ų | 105.6 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.2 | -78.1 | -160.3 | -176.8 | 0 | 0 | 111.7 | E204 E205 L211 R212 | E204-E208 PolarHBondContact O-N 2.97Å; E205-E208 PolarHBondContact O-N 3.35Å; E208-L211 PolarHBondContact O-N 2.91Å; E208-R212 WeakPolarHBondContact O-CB 3.44Å; E208-R212 WeakPolarHBondContact O-CG 3.24Å; E208-R212 PolarHBondContact O-N 2.92Å; E208-R212 IonicContact OE2-CZ 3.85Å; E208-R212 IonicContact OE2-NE 3.96Å; E208-R212 IonicContact OE2-NH2 2.94Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å |
| 209 | E | 92.7 | Very high | 93.1 | Very high | 144 Ų | 144 | 106.9 Ų | 106.9 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 177.8 | -170.6 | 172.5 | -163.6 | 0 | 0 | 111.3 | E205 L211 R212 S213 | E205-E209 WeakPolarHBondContact O-CB 3.45Å; E205-E209 PolarHBondContact O-N 3.49Å; E209-L211 PolarHBondContact O-N 2.92Å; E209-R212 PolarHBondContact O-N 3.18Å; E209-S213 PolarHBondContact O-N 2.95Å |
| 210 | S | 93.6 | Very high | 93.2 | Very high | 50 Ų | 50 | 104.3 Ų | 104.3 | 35% | 0.35 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 112 | H206 L207 R212 S213 D214 | H206-S210 WeakPolarHBondContact O-CB 3.49Å; H206-S210 PolarHBondContact O-N 3.06Å; L207-S210 PolarHBondContact O-N 3.44Å; S210-R212 PolarHBondContact O-N 2.88Å; S210-S213 WeakPolarHBondContact O-CB 3.46Å; S210-S213 PolarHBondContact O-N 3.18Å; S210-D214 PolarHBondContact O-N 2.95Å |
| 211 | L | 93.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 178.7 | -73.1 | 172.6 | 0 | 0 | 0 | 112.3 | L207 E208 E209 D214 L215 | L207-L211 HydrophobicContact CD1-CG 4.48Å; L207-L211 HydrophobicContact CG-CD1 4.13Å; L207-L211 WeakPolarHBondContact O-CB 3.31Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.13Å; E208-L211 PolarHBondContact O-N 2.91Å; E209-L211 PolarHBondContact O-N 2.92Å; L211-D214 PolarHBondContact O-N 3.34Å; L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.3Å; L211-L215 PolarHBondContact O-N 2.93Å |
| 212 | R | 95.1 | Very high | 93.3 | Very high | 157 Ų | 157 | 104.4 Ų | 104.4 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 173.4 | -73.7 | 171.7 | -165.5 | -145.8 | 9.7 | 110.9 | E208 E209 S210 L215 I216 | E208-R212 WeakPolarHBondContact O-CB 3.44Å; E208-R212 WeakPolarHBondContact O-CG 3.24Å; E208-R212 PolarHBondContact O-N 2.92Å; E208-R212 IonicContact OE2-CZ 3.85Å; E208-R212 IonicContact OE2-NE 3.96Å; E208-R212 IonicContact OE2-NH2 2.94Å; E208-R212 PolarHBondContact OE2-NH2 3.4Å; E209-R212 PolarHBondContact O-N 3.18Å; S210-R212 PolarHBondContact O-N 2.88Å; R212-L215 PolarHBondContact O-N 3.37Å; R212-I216 VanDerWaalsContact O-CG1 3.31Å; R212-I216 WeakPolarHBondContact O-CG1 3.48Å; R212-I216 PolarHBondContact O-N 2.9Å |
| 213 | S | 93.2 | Very high | 93.4 | Very high | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 174.9 | -173 | 0 | 0 | 0 | 0 | 111.7 | E209 S210 L215 I216 F217 | E209-S213 PolarHBondContact O-N 2.95Å; S210-S213 WeakPolarHBondContact O-CB 3.46Å; S210-S213 PolarHBondContact O-N 3.18Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 PolarHBondContact O-N 2.93Å; S213-I216 PolarHBondContact O-N 3.49Å; S213-F217 PolarHBondContact O-N 2.98Å |
| 214 | D | 93.9 | Very high | 93.4 | Very high | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 177.4 | -72.5 | -16.5 | 0 | 0 | 0 | 111.9 | S210 L211 F217 V218 | S210-D214 PolarHBondContact O-N 2.95Å; L211-D214 PolarHBondContact O-N 3.34Å; D214-F217 PolarHBondContact O-N 3.36Å; D214-V218 WeakPolarHBondContact O-CG2 3.2Å; D214-V218 PolarHBondContact O-N 2.96Å |
| 215 | L | 93.4 | Very high | 93.5 | Very high | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | -80.4 | 171.8 | 0 | 0 | 0 | 112.4 | L211 R212 S213 F217 K219 | L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.3Å; L211-L215 PolarHBondContact O-N 2.93Å; R212-L215 PolarHBondContact O-N 3.37Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 PolarHBondContact O-N 2.93Å; L215-F217 VanDerWaalsContact C-N 3.35Å; L215-K219 WeakPolarHBondContact O-CB 3.49Å; L215-K219 VanDerWaalsContact O-CG 3.28Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.32Å |
| 216 | I | 94.9 | Very high | 93.6 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 175.7 | -69.1 | 166 | 0 | 0 | 0 | 109.8 | R212 S213 K219 S220 | R212-I216 VanDerWaalsContact O-CG1 3.31Å; R212-I216 WeakPolarHBondContact O-CG1 3.48Å; R212-I216 PolarHBondContact O-N 2.9Å; S213-I216 PolarHBondContact O-N 3.49Å; I216-K219 PolarHBondContact O-N 3Å; I216-S220 WeakPolarHBondContact O-CB 3.42Å; I216-S220 PolarHBondContact O-N 2.97Å |
| 217 | F | 92.7 | Very high | 93.7 | Very high | 136 Ų | 136 | 103 Ų | 103 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 177.7 | -179.6 | -97.1 | 0 | 0 | 0 | 112.1 | S213 D214 L215 K219 S220 Q221 | S213-F217 PolarHBondContact O-N 2.98Å; D214-F217 PolarHBondContact O-N 3.36Å; L215-F217 VanDerWaalsContact C-N 3.35Å; F217-K219 PolarHBondContact O-N 3Å; F217-S220 PolarHBondContact O-N 3.39Å; F217-Q221 WeakPolarHBondContact O-CB 3.43Å; F217-Q221 PolarHBondContact O-N 3.24Å |
| 218 | V | 93.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 179 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | D214 Q221 L222 | D214-V218 WeakPolarHBondContact O-CG2 3.2Å; D214-V218 PolarHBondContact O-N 2.96Å; V218-Q221 PolarHBondContact O-N 2.96Å; V218-L222 WeakPolarHBondContact O-CB 3.33Å; V218-L222 PolarHBondContact O-N 3.35Å |
| 219 | K | 95.5 | Very high | 93.8 | Very high | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 174.7 | -79 | 179.5 | 177.6 | -176.3 | 0 | 111.8 | L215 I216 F217 Q221 L222 E223 | L215-K219 WeakPolarHBondContact O-CB 3.49Å; L215-K219 VanDerWaalsContact O-CG 3.28Å; L215-K219 WeakPolarHBondContact O-CG 3.4Å; L215-K219 PolarHBondContact O-N 3.32Å; I216-K219 PolarHBondContact O-N 3Å; F217-K219 PolarHBondContact O-N 3Å; K219-Q221 VanDerWaalsContact C-N 3.3Å; K219-Q221 PolarHBondContact O-N 3.14Å; K219-L222 PolarHBondContact O-N 3.39Å; K219-E223 WeakPolarHBondContact O-CG 3.49Å; K219-E223 PolarHBondContact O-N 2.98Å |
| 220 | S | 94.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 101.7 Ų | 101.7 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | I216 F217 E223 S224 | I216-S220 WeakPolarHBondContact O-CB 3.42Å; I216-S220 PolarHBondContact O-N 2.97Å; F217-S220 PolarHBondContact O-N 3.39Å; S220-E223 PolarHBondContact O-N 3.44Å; S220-S224 PolarHBondContact O-N 3.41Å |
| 221 | Q | 93.4 | Very high | 94 | Very high | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.6 | -173.1 | 171.6 | 33 | 0 | 0 | 111.7 | F217 V218 K219 E223 S224 E225 | F217-Q221 WeakPolarHBondContact O-CB 3.43Å; F217-Q221 PolarHBondContact O-N 3.24Å; V218-Q221 PolarHBondContact O-N 2.96Å; K219-Q221 VanDerWaalsContact C-N 3.3Å; K219-Q221 PolarHBondContact O-N 3.14Å; Q221-E223 PolarHBondContact O-N 2.72Å; Q221-S224 PolarHBondContact O-N 2.67Å; Q221-E225 VanDerWaalsContact O-CG 3.32Å; Q221-E225 WeakPolarHBondContact O-CG 3.34Å; Q221-E225 PolarHBondContact O-N 3.47Å |
| 222 | L | 93 | Very high | 94.1 | Very high | 106 Ų | 106 | 106.5 Ų | 106.5 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 177.9 | -179.5 | 63.5 | 0 | 0 | 0 | 112.1 | V218 K219 E225 L226 | V218-L222 WeakPolarHBondContact O-CB 3.33Å; V218-L222 PolarHBondContact O-N 3.35Å; K219-L222 PolarHBondContact O-N 3.39Å; L222-E225 PolarHBondContact O-N 2.71Å; L222-L226 HydrophobicContact CD1-CG 4.48Å; L222-L226 HydrophobicContact CG-CD1 4.26Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 WeakPolarHBondContact O-CG 3.49Å; L222-L226 PolarHBondContact O-N 3.47Å |
| 223 | E | 94.8 | Very high | 94 | Very high | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 175.9 | -73.8 | 171 | -178.8 | 0 | 0 | 111.6 | K219 S220 Q221 L226 Q227 | K219-E223 WeakPolarHBondContact O-CG 3.49Å; K219-E223 PolarHBondContact O-N 2.98Å; S220-E223 PolarHBondContact O-N 3.44Å; Q221-E223 PolarHBondContact O-N 2.72Å; E223-L226 PolarHBondContact O-N 3.4Å; E223-Q227 WeakPolarHBondContact O-CG 3.42Å; E223-Q227 PolarHBondContact O-N 2.98Å |
| 224 | S | 93.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 103.9 Ų | 103.9 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | S220 Q221 Q227 S228 | S220-S224 PolarHBondContact O-N 3.41Å; Q221-S224 PolarHBondContact O-N 2.67Å; S224-Q227 PolarHBondContact O-N 3.06Å; S224-S228 PolarHBondContact O-N 2.82Å |
| 225 | E | 92.4 | Very high | 94.2 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 177.6 | -70.1 | -69.8 | 155.1 | 0 | 0 | 111.6 | Q221 L222 S228 K229 | Q221-E225 VanDerWaalsContact O-CG 3.32Å; Q221-E225 WeakPolarHBondContact O-CG 3.34Å; Q221-E225 PolarHBondContact O-N 3.47Å; L222-E225 PolarHBondContact O-N 2.71Å; E225-S228 PolarHBondContact O-N 2.83Å; E225-K229 WeakPolarHBondContact O-CB 3.39Å; E225-K229 PolarHBondContact O-N 2.84Å |
| 226 | L | 94.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 101.7 Ų | 101.7 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175 | -76.3 | 172.6 | 0 | 0 | 0 | 111.8 | L222 E223 S228 K229 E230 | L222-L226 HydrophobicContact CD1-CG 4.48Å; L222-L226 HydrophobicContact CG-CD1 4.26Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 WeakPolarHBondContact O-CG 3.49Å; L222-L226 PolarHBondContact O-N 3.47Å; E223-L226 PolarHBondContact O-N 3.4Å; L226-S228 PolarHBondContact O-N 3.38Å; L226-K229 WeakPolarHBondContact O-CB 3.31Å; L226-K229 PolarHBondContact O-N 3.34Å; L226-K229 VanDerWaalsContact O-N 3.17Å; L226-E230 WeakPolarHBondContact O-CG 3.07Å; L226-E230 PolarHBondContact O-N 2.92Å |
| 227 | Q | 95.1 | Very high | 94.3 | Very high | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.4 | -73 | 176.8 | 2.3 | 0 | 0 | 111.9 | E223 S224 K229 E230 Q231 | E223-Q227 WeakPolarHBondContact O-CG 3.42Å; E223-Q227 PolarHBondContact O-N 2.98Å; S224-Q227 PolarHBondContact O-N 3.06Å; Q227-K229 VanDerWaalsContact C-N 3.27Å; Q227-K229 PolarHBondContact O-N 2.91Å; Q227-E230 PolarHBondContact O-N 3.35Å; Q227-Q231 WeakPolarHBondContact O-CG 3.28Å; Q227-Q231 PolarHBondContact O-N 3.34Å |
| 228 | S | 93.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | S224 E225 L226 L232 | S224-S228 PolarHBondContact O-N 2.82Å; E225-S228 PolarHBondContact O-N 2.83Å; L226-S228 PolarHBondContact O-N 3.38Å; S228-L232 PolarHBondContact O-N 3.41Å; S228-L232 VanDerWaalsContact O-N 3.15Å |
| 229 | K | 93.5 | Very high | 94.5 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | 177.3 | -173.6 | -170.6 | 173.4 | -139.7 | 0 | 111.7 | E225 L226 Q227 Q231 L232 E233 | E225-K229 WeakPolarHBondContact O-CB 3.39Å; E225-K229 PolarHBondContact O-N 2.84Å; L226-K229 WeakPolarHBondContact O-CB 3.31Å; L226-K229 PolarHBondContact O-N 3.34Å; L226-K229 VanDerWaalsContact O-N 3.17Å; Q227-K229 VanDerWaalsContact C-N 3.27Å; Q227-K229 PolarHBondContact O-N 2.91Å; K229-Q231 VanDerWaalsContact C-N 3.33Å; K229-Q231 PolarHBondContact O-N 3.43Å; K229-L232 WeakPolarHBondContact O-CB 3.4Å; K229-L232 PolarHBondContact O-N 2.87Å; K229-E233 WeakPolarHBondContact CE-OE1 3.37Å; K229-E233 IonicContact NZ-OE1 3.77Å; K229-E233 PolarHBondContact NZ-OE1 2.99Å; K229-E233 VanDerWaalsContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.3Å |
| 230 | E | 95.1 | Very high | 94.5 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 176.6 | -75 | 176 | 179.3 | 0 | 0 | 111.4 | L226 Q227 L232 E233 V234 | L226-E230 WeakPolarHBondContact O-CG 3.07Å; L226-E230 PolarHBondContact O-N 2.92Å; Q227-E230 PolarHBondContact O-N 3.35Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.44Å; E230-E233 PolarHBondContact O-N 3.25Å; E230-V234 WeakPolarHBondContact O-CG2 3.41Å; E230-V234 PolarHBondContact O-N 3.48Å |
| 231 | Q | 95.1 | Very high | 94.5 | Very high | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 174.5 | -72.9 | 175.1 | 3.9 | 0 | 0 | 112.2 | Q227 K229 V234 S235 | Q227-Q231 WeakPolarHBondContact O-CG 3.28Å; Q227-Q231 PolarHBondContact O-N 3.34Å; K229-Q231 VanDerWaalsContact C-N 3.33Å; K229-Q231 PolarHBondContact O-N 3.43Å; Q231-V234 PolarHBondContact O-N 2.96Å; Q231-S235 PolarHBondContact O-N 2.7Å |
| 232 | L | 94.6 | Very high | 94.7 | Very high | 104 Ų | 104 | 94.6 Ų | 94.6 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 176.3 | -174.8 | 66.2 | 0 | 0 | 0 | 111.9 | S228 K229 E230 S235 L236 | S228-L232 PolarHBondContact O-N 3.41Å; S228-L232 VanDerWaalsContact O-N 3.15Å; K229-L232 WeakPolarHBondContact O-CB 3.4Å; K229-L232 PolarHBondContact O-N 2.87Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.44Å; L232-S235 PolarHBondContact O-N 3.25Å; L232-L236 HydrophobicContact CD1-CD1 4.5Å; L232-L236 HydrophobicContact CD1-CG 4.43Å; L232-L236 HydrophobicContact CG-CD1 4.07Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CB 3.05Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.97Å |
| 233 | E | 93.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 94.7 Ų | 94.7 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41 | 176.5 | -75.3 | 179.9 | -177.8 | 0 | 0 | 111.8 | K229 E230 T237 | K229-E233 WeakPolarHBondContact CE-OE1 3.37Å; K229-E233 IonicContact NZ-OE1 3.77Å; K229-E233 PolarHBondContact NZ-OE1 2.99Å; K229-E233 VanDerWaalsContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.3Å; E230-E233 PolarHBondContact O-N 3.25Å; E233-T237 WeakPolarHBondContact O-CB 3.41Å; E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.39Å |
| 234 | V | 96.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 96.9 Ų | 96.9 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | E230 Q231 L236 T237 E238 | E230-V234 WeakPolarHBondContact O-CG2 3.41Å; E230-V234 PolarHBondContact O-N 3.48Å; Q231-V234 PolarHBondContact O-N 2.96Å; V234-L236 PolarHBondContact O-N 2.94Å; V234-T237 WeakPolarHBondContact O-CB 3.35Å; V234-T237 PolarHBondContact O-N 3.21Å; V234-T237 VanDerWaalsContact O-N 3.11Å; V234-E238 WeakPolarHBondContact O-CG 3.46Å; V234-E238 PolarHBondContact O-N 3.25Å |
| 235 | S | 95.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 98 Ų | 98 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | Q231 L232 T237 E238 D239 | Q231-S235 PolarHBondContact O-N 2.7Å; L232-S235 PolarHBondContact O-N 3.25Å; S235-T237 VanDerWaalsContact C-N 3.28Å; S235-T237 PolarHBondContact O-N 2.89Å; S235-E238 PolarHBondContact O-N 3.47Å; S235-D239 PolarHBondContact O-N 3.45Å |
| 236 | L | 95.4 | Very high | 95.1 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -32.8 | 178.1 | -71.7 | 173.2 | 0 | 0 | 0 | 112.1 | L232 V234 V240 | L232-L236 HydrophobicContact CD1-CD1 4.5Å; L232-L236 HydrophobicContact CD1-CG 4.43Å; L232-L236 HydrophobicContact CG-CD1 4.07Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CB 3.05Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.97Å; V234-L236 PolarHBondContact O-N 2.94Å; L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.33Å; L236-V240 PolarHBondContact O-N 3.43Å |
| 237 | T | 95.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 176.1 | -58 | 0 | 0 | 0 | 0 | 111.2 | E233 V234 S235 V240 N241 | E233-T237 WeakPolarHBondContact O-CB 3.41Å; E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.39Å; V234-T237 WeakPolarHBondContact O-CB 3.35Å; V234-T237 PolarHBondContact O-N 3.21Å; V234-T237 VanDerWaalsContact O-N 3.11Å; S235-T237 VanDerWaalsContact C-N 3.28Å; S235-T237 PolarHBondContact O-N 2.89Å; T237-V240 PolarHBondContact O-N 2.76Å; T237-N241 WeakPolarHBondContact O-CB 3.42Å; T237-N241 VanDerWaalsContact O-CG 3.25Å; T237-N241 PolarHBondContact O-N 2.93Å; T237-N241 PolarHBondContact O-ND2 2.68Å; T237-N241 VanDerWaalsContact O-ND2 3.17Å |
| 238 | E | 95.3 | Very high | 95.1 | Very high | 123 Ų | 123 | 95.6 Ų | 95.6 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 173.1 | -70.8 | 176.2 | 173.8 | 0 | 0 | 111.4 | V234 S235 V240 N241 S242 | V234-E238 WeakPolarHBondContact O-CG 3.46Å; V234-E238 PolarHBondContact O-N 3.25Å; S235-E238 PolarHBondContact O-N 3.47Å; E238-V240 PolarHBondContact O-N 3.09Å; E238-N241 PolarHBondContact O-N 3.13Å; E238-S242 PolarHBondContact O-N 3.44Å |
| 239 | D | 95.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 96 Ų | 96 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.6 | -71.8 | -19.7 | 0 | 0 | 0 | 111.8 | S235 N241 S242 L243 | S235-D239 PolarHBondContact O-N 3.45Å; D239-N241 VanDerWaalsContact C-N 3.32Å; D239-N241 PolarHBondContact O-N 3.24Å; D239-S242 PolarHBondContact O-N 3.04Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.43Å; D239-L243 PolarHBondContact O-N 2.9Å |
| 240 | V | 94.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 92.7 Ų | 92.7 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.6 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | L236 T237 E238 R244 | L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.33Å; L236-V240 PolarHBondContact O-N 3.43Å; T237-V240 PolarHBondContact O-N 2.76Å; E238-V240 PolarHBondContact O-N 3.09Å; V240-R244 WeakPolarHBondContact O-CB 3.49Å; V240-R244 VanDerWaalsContact O-CG 3.25Å; V240-R244 WeakPolarHBondContact O-CG 3.36Å; V240-R244 PolarHBondContact O-N 3Å |
| 241 | N | 95.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 92.6 Ų | 92.6 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.9 | -71.8 | -29.3 | 0 | 0 | 0 | 111.3 | T237 E238 D239 R244 T245 | T237-N241 WeakPolarHBondContact O-CB 3.42Å; T237-N241 VanDerWaalsContact O-CG 3.25Å; T237-N241 PolarHBondContact O-N 2.93Å; T237-N241 PolarHBondContact O-ND2 2.68Å; T237-N241 VanDerWaalsContact O-ND2 3.17Å; E238-N241 PolarHBondContact O-N 3.13Å; D239-N241 VanDerWaalsContact C-N 3.32Å; D239-N241 PolarHBondContact O-N 3.24Å; N241-R244 WeakPolarHBondContact O-CB 3.34Å; N241-R244 PolarHBondContact O-N 3.27Å; N241-T245 PolarHBondContact O-N 2.91Å; N241-T245 PolarHBondContact O-OG1 3.48Å |
| 242 | S | 95.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | E238 D239 R244 T245 E246 | E238-S242 PolarHBondContact O-N 3.44Å; D239-S242 PolarHBondContact O-N 3.04Å; S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact O-N 2.88Å; S242-T245 WeakPolarHBondContact O-CB 3.39Å; S242-T245 PolarHBondContact O-N 3.43Å; S242-T245 VanDerWaalsContact O-N 3.07Å; S242-E246 PolarHBondContact O-N 3.36Å |
| 243 | L | 94.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -35.1 | 178.4 | -71.8 | 172.7 | 0 | 0 | 0 | 112.4 | D239 L247 | D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.43Å; D239-L243 PolarHBondContact O-N 2.9Å; L243-L247 VanDerWaalsContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 PolarHBondContact O-N 3.35Å |
| 244 | R | 96.6 | Very high | 95.4 | Very high | 166 Ų | 166 | 90.4 Ų | 90.4 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 173.6 | -78 | 171.8 | 175.2 | 177.4 | -0.6 | 112 | V240 N241 S242 L247 A248 | V240-R244 WeakPolarHBondContact O-CB 3.49Å; V240-R244 VanDerWaalsContact O-CG 3.25Å; V240-R244 WeakPolarHBondContact O-CG 3.36Å; V240-R244 PolarHBondContact O-N 3Å; N241-R244 WeakPolarHBondContact O-CB 3.34Å; N241-R244 PolarHBondContact O-N 3.27Å; S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact O-N 2.88Å; R244-L247 PolarHBondContact O-N 3.09Å; R244-A248 PolarHBondContact O-N 2.94Å |
| 245 | T | 95.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 88.4 Ų | 88.4 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | N241 S242 L247 A248 V249 | N241-T245 PolarHBondContact O-N 2.91Å; N241-T245 PolarHBondContact O-OG1 3.48Å; S242-T245 WeakPolarHBondContact O-CB 3.39Å; S242-T245 PolarHBondContact O-N 3.43Å; S242-T245 VanDerWaalsContact O-N 3.07Å; T245-L247 VanDerWaalsContact C-N 3.33Å; T245-L247 PolarHBondContact O-N 2.99Å; T245-A248 PolarHBondContact O-N 2.91Å; T245-V249 WeakPolarHBondContact O-CG2 3.41Å; T245-V249 PolarHBondContact O-N 2.94Å |
| 246 | E | 96.2 | Very high | 95.3 | Very high | 116 Ų | 116 | 90.2 Ų | 90.2 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -43 | 175.5 | -71 | 176.8 | -155.7 | 0 | 0 | 111.9 | S242 A248 V249 A250 | S242-E246 PolarHBondContact O-N 3.36Å; E246-A248 PolarHBondContact O-N 2.96Å; E246-V249 PolarHBondContact O-N 3.29Å; E246-A250 WeakPolarHBondContact O-CB 3.5Å; E246-A250 PolarHBondContact O-N 2.89Å |
| 247 | L | 94.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176.2 | -177.8 | 64.9 | 0 | 0 | 0 | 112 | L243 R244 T245 A250 Q251 | L243-L247 VanDerWaalsContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 PolarHBondContact O-N 3.35Å; R244-L247 PolarHBondContact O-N 3.09Å; T245-L247 VanDerWaalsContact C-N 3.33Å; T245-L247 PolarHBondContact O-N 2.99Å; L247-A250 PolarHBondContact O-N 3.24Å; L247-Q251 HydrophobicContact CD1-CG 4.48Å; L247-Q251 WeakPolarHBondContact O-CB 3.49Å; L247-Q251 VanDerWaalsContact O-CG 3.27Å; L247-Q251 WeakPolarHBondContact O-CG 3.33Å; L247-Q251 PolarHBondContact O-N 3.25Å |
| 248 | A | 95.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 95.2 Ų | 95.2 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R244 T245 E246 Q251 S252 | R244-A248 PolarHBondContact O-N 2.94Å; T245-A248 PolarHBondContact O-N 2.91Å; E246-A248 PolarHBondContact O-N 2.96Å; A248-Q251 PolarHBondContact O-N 3.48Å; A248-S252 PolarHBondContact O-N 3.23Å |
| 249 | V | 95.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 95.4 Ų | 95.4 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | T245 E246 Q251 S252 Q253 | T245-V249 WeakPolarHBondContact O-CG2 3.41Å; T245-V249 PolarHBondContact O-N 2.94Å; E246-V249 PolarHBondContact O-N 3.29Å; V249-Q251 VanDerWaalsContact C-N 3.32Å; V249-Q251 PolarHBondContact O-N 2.81Å; V249-S252 WeakPolarHBondContact O-CB 3.33Å; V249-S252 PolarHBondContact O-N 2.98Å; V249-Q253 HydrophobicContact CG1-CG 4.49Å; V249-Q253 WeakPolarHBondContact O-CG 3.48Å; V249-Q253 PolarHBondContact O-N 3.42Å |
| 250 | A | 94.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 96.8 Ų | 96.8 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E246 L247 Q253 L254 | E246-A250 WeakPolarHBondContact O-CB 3.5Å; E246-A250 PolarHBondContact O-N 2.89Å; L247-A250 PolarHBondContact O-N 3.24Å; A250-Q253 PolarHBondContact O-N 2.71Å; A250-L254 WeakPolarHBondContact O-CB 3.39Å; A250-L254 PolarHBondContact O-N 3.29Å |
| 251 | Q | 96.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 174.9 | -75.3 | 174.2 | -11.1 | 0 | 0 | 112.2 | L247 A248 V249 L254 A255 | L247-Q251 HydrophobicContact CD1-CG 4.48Å; L247-Q251 WeakPolarHBondContact O-CB 3.49Å; L247-Q251 VanDerWaalsContact O-CG 3.27Å; L247-Q251 WeakPolarHBondContact O-CG 3.33Å; L247-Q251 PolarHBondContact O-N 3.25Å; A248-Q251 PolarHBondContact O-N 3.48Å; V249-Q251 VanDerWaalsContact C-N 3.32Å; V249-Q251 PolarHBondContact O-N 2.81Å; Q251-L254 PolarHBondContact O-N 3.1Å; Q251-A255 PolarHBondContact O-N 2.91Å |
| 252 | S | 94.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 100.7 Ų | 100.7 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 173.9 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | A248 V249 L254 A255 D256 | A248-S252 PolarHBondContact O-N 3.23Å; V249-S252 WeakPolarHBondContact O-CB 3.33Å; V249-S252 PolarHBondContact O-N 2.98Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.07Å; S252-A255 WeakPolarHBondContact O-CB 3.43Å; S252-A255 PolarHBondContact O-N 3.29Å; S252-D256 PolarHBondContact O-N 2.96Å |
| 253 | Q | 95.3 | Very high | 95.1 | Very high | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -35.4 | 177.6 | -70.6 | 176 | 0.7 | 0 | 0 | 112.4 | V249 A250 R257 | V249-Q253 HydrophobicContact CG1-CG 4.49Å; V249-Q253 WeakPolarHBondContact O-CG 3.48Å; V249-Q253 PolarHBondContact O-N 3.42Å; A250-Q253 PolarHBondContact O-N 2.71Å; Q253-R257 VanDerWaalsContact O-CB 3.31Å; Q253-R257 WeakPolarHBondContact O-CB 3.27Å; Q253-R257 PolarHBondContact O-N 2.97Å |
| 254 | L | 95.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 107.4 Ų | 107.4 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.9 | -175.1 | 68.1 | 0 | 0 | 0 | 111.4 | A250 Q251 S252 R257 Q258 | A250-L254 WeakPolarHBondContact O-CB 3.39Å; A250-L254 PolarHBondContact O-N 3.29Å; Q251-L254 PolarHBondContact O-N 3.1Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.07Å; L254-R257 PolarHBondContact O-N 3.47Å; L254-Q258 WeakPolarHBondContact O-CG 3Å; L254-Q258 PolarHBondContact O-N 2.83Å |
| 255 | A | 94.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 102.3 Ų | 102.3 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q251 S252 R257 Q258 M259 | Q251-A255 PolarHBondContact O-N 2.91Å; S252-A255 WeakPolarHBondContact O-CB 3.43Å; S252-A255 PolarHBondContact O-N 3.29Å; A255-R257 VanDerWaalsContact C-N 3.29Å; A255-R257 PolarHBondContact O-N 3.44Å; A255-Q258 WeakPolarHBondContact O-CB 3.27Å; A255-Q258 PolarHBondContact O-N 3.5Å; A255-Q258 VanDerWaalsContact O-N 3.14Å; A255-M259 PolarHBondContact O-N 3.28Å |
| 256 | D | 93.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 175.1 | -69 | -21.6 | 0 | 0 | 0 | 111.4 | S252 M259 L260 | S252-D256 PolarHBondContact O-N 2.96Å; D256-M259 PolarHBondContact O-N 3.31Å; D256-L260 WeakPolarHBondContact O-CG 3.42Å; D256-L260 PolarHBondContact O-N 2.85Å |
| 257 | R | 94.2 | Very high | 95 | Very high | 168 Ų | 168 | 99.3 Ų | 99.3 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 177 | -172.9 | 174.4 | 179.5 | 97.9 | -2 | 112.2 | Q253 L254 A255 L260 L261 | Q253-R257 VanDerWaalsContact O-CB 3.31Å; Q253-R257 WeakPolarHBondContact O-CB 3.27Å; Q253-R257 PolarHBondContact O-N 2.97Å; L254-R257 PolarHBondContact O-N 3.47Å; A255-R257 VanDerWaalsContact C-N 3.29Å; A255-R257 PolarHBondContact O-N 3.44Å; R257-L260 PolarHBondContact O-N 3.44Å; R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 2.88Å |
| 258 | Q | 95.6 | Very high | 95 | Very high | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.1 | -75.3 | 174.6 | -9.4 | 0 | 0 | 111.4 | L254 A255 L260 L261 Q262 | L254-Q258 WeakPolarHBondContact O-CG 3Å; L254-Q258 PolarHBondContact O-N 2.83Å; A255-Q258 WeakPolarHBondContact O-CB 3.27Å; A255-Q258 PolarHBondContact O-N 3.5Å; A255-Q258 VanDerWaalsContact O-N 3.14Å; Q258-L260 PolarHBondContact O-N 2.94Å; Q258-L261 PolarHBondContact O-N 2.87Å; Q258-Q262 WeakPolarHBondContact O-CG 3.37Å; Q258-Q262 PolarHBondContact O-N 3.45Å |
| 259 | M | 95.1 | Very high | 95 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 173.9 | -71.3 | -175.8 | 66.4 | 0 | 0 | 112 | A255 D256 L261 Q262 W263 | A255-M259 PolarHBondContact O-N 3.28Å; D256-M259 PolarHBondContact O-N 3.31Å; M259-L261 VanDerWaalsContact C-N 3.33Å; M259-L261 PolarHBondContact O-N 3.31Å; M259-Q262 PolarHBondContact O-N 3.26Å; M259-W263 WeakPolarHBondContact O-CB 3.39Å; M259-W263 PolarHBondContact O-N 2.91Å |
| 260 | L | 94.8 | Very high | 95 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | 176.1 | -75.9 | 170.4 | 0 | 0 | 0 | 112.6 | D256 R257 Q258 K264 | D256-L260 WeakPolarHBondContact O-CG 3.42Å; D256-L260 PolarHBondContact O-N 2.85Å; R257-L260 PolarHBondContact O-N 3.44Å; Q258-L260 PolarHBondContact O-N 2.94Å; L260-K264 VanDerWaalsContact O-CB 3.3Å; L260-K264 WeakPolarHBondContact O-CB 3.39Å; L260-K264 PolarHBondContact O-N 3.37Å |
| 261 | L | 94.7 | Very high | 95 | Very high | 100 Ų | 100 | 109 Ų | 109 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.3 | -74.3 | 173 | 0 | 0 | 0 | 112 | R257 Q258 M259 K264 A265 | R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 2.88Å; Q258-L261 PolarHBondContact O-N 2.87Å; M259-L261 VanDerWaalsContact C-N 3.33Å; M259-L261 PolarHBondContact O-N 3.31Å; L261-K264 PolarHBondContact O-N 2.85Å; L261-A265 PolarHBondContact O-N 2.86Å |
| 262 | Q | 95.5 | Very high | 94.9 | Very high | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -49.6 | 173.2 | -73.9 | 177.7 | -15.9 | 0 | 0 | 111 | Q258 M259 K264 A265 D266 | Q258-Q262 WeakPolarHBondContact O-CG 3.37Å; Q258-Q262 PolarHBondContact O-N 3.45Å; M259-Q262 PolarHBondContact O-N 3.26Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.3Å; Q262-A265 WeakPolarHBondContact O-CA 3.45Å; Q262-A265 WeakPolarHBondContact O-CB 3.43Å; Q262-A265 PolarHBondContact O-N 2.92Å; Q262-D266 PolarHBondContact O-N 2.96Å |
| 263 | W | 95.4 | Very high | 94.9 | Very high | 169 Ų | 169 | 108.5 Ų | 108.5 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.5 | -39.9 | 176.4 | -179.2 | 82.9 | 0 | 0 | 0 | 112.4 | M259 D266 T267 | M259-W263 WeakPolarHBondContact O-CB 3.39Å; M259-W263 PolarHBondContact O-N 2.91Å; W263-D266 PolarHBondContact O-N 3.32Å; W263-T267 HydrophobicContact CD2-CG2 4Å; W263-T267 HydrophobicContact CE3-CG2 4.43Å; W263-T267 HydrophobicContact CG-CG2 4.5Å; W263-T267 HydrophobicContact CH2-CG2 4.24Å; W263-T267 HydrophobicContact CZ2-CG2 3.77Å; W263-T267 WeakPolarHBondContact O-CB 3.29Å; W263-T267 VanDerWaalsContact O-CG2 3.28Å; W263-T267 WeakPolarHBondContact O-CG2 3.37Å; W263-T267 PolarHBondContact O-N 3.13Å; W263-T267 PolarHBondContact O-OG1 3.01Å |
| 264 | K | 95.5 | Very high | 94.8 | Very high | 141 Ų | 141 | 108 Ų | 108 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 174.7 | -174.7 | 178.8 | 178.7 | -179.4 | 0 | 112.4 | L260 L261 Q262 T267 K268 | L260-K264 VanDerWaalsContact O-CB 3.3Å; L260-K264 WeakPolarHBondContact O-CB 3.39Å; L260-K264 PolarHBondContact O-N 3.37Å; L261-K264 PolarHBondContact O-N 2.85Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.3Å; K264-T267 WeakPolarHBondContact CA-OG1 3.46Å; K264-T267 PolarHBondContact O-OG1 3.41Å; K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.41Å; K264-K268 VanDerWaalsContact O-N 3.13Å |
| 265 | A | 94.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L261 Q262 K268 S269 | L261-A265 PolarHBondContact O-N 2.86Å; Q262-A265 WeakPolarHBondContact O-CA 3.45Å; Q262-A265 WeakPolarHBondContact O-CB 3.43Å; Q262-A265 PolarHBondContact O-N 2.92Å; A265-K268 WeakPolarHBondContact O-CB 3.44Å; A265-K268 PolarHBondContact O-N 2.93Å; A265-S269 PolarHBondContact O-N 2.83Å |
| 266 | D | 95.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 179.5 | -67.2 | -11.7 | 0 | 0 | 0 | 111.8 | Q262 W263 K268 S269 R270 | Q262-D266 PolarHBondContact O-N 2.96Å; W263-D266 PolarHBondContact O-N 3.32Å; D266-K268 VanDerWaalsContact C-N 3.31Å; D266-K268 PolarHBondContact O-N 3.05Å; D266-S269 PolarHBondContact O-N 2.95Å; D266-R270 WeakPolarHBondContact O-CG 3.35Å; D266-R270 PolarHBondContact O-N 2.93Å |
| 267 | T | 94 | Very high | 94.9 | Very high | 46 Ų | 46 | 108.5 Ų | 108.5 | 28% | 0.282 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 176.1 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | W263 K264 L271 | W263-T267 HydrophobicContact CD2-CG2 4Å; W263-T267 HydrophobicContact CE3-CG2 4.43Å; W263-T267 HydrophobicContact CG-CG2 4.5Å; W263-T267 HydrophobicContact CH2-CG2 4.24Å; W263-T267 HydrophobicContact CZ2-CG2 3.77Å; W263-T267 WeakPolarHBondContact O-CB 3.29Å; W263-T267 VanDerWaalsContact O-CG2 3.28Å; W263-T267 WeakPolarHBondContact O-CG2 3.37Å; W263-T267 PolarHBondContact O-N 3.13Å; W263-T267 PolarHBondContact O-OG1 3.01Å; K264-T267 WeakPolarHBondContact CA-OG1 3.46Å; K264-T267 PolarHBondContact O-OG1 3.41Å; T267-L271 WeakPolarHBondContact O-CB 3.34Å; T267-L271 PolarHBondContact O-N 3.36Å |
| 268 | K | 95.6 | Very high | 94.9 | Very high | 151 Ų | 151 | 104.9 Ų | 104.9 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 173.4 | -173.4 | -179 | 178.4 | -174.3 | 0 | 111.5 | K264 A265 D266 L271 V272 | K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.41Å; K264-K268 VanDerWaalsContact O-N 3.13Å; A265-K268 WeakPolarHBondContact O-CB 3.44Å; A265-K268 PolarHBondContact O-N 2.93Å; D266-K268 VanDerWaalsContact C-N 3.31Å; D266-K268 PolarHBondContact O-N 3.05Å; K268-L271 PolarHBondContact O-N 3.33Å; K268-V272 WeakPolarHBondContact O-CG2 3.37Å; K268-V272 PolarHBondContact O-N 2.94Å; K268-V272 VanDerWaalsContact O-N 3.09Å |
| 269 | S | 94.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 176.1 | -164.5 | 0 | 0 | 0 | 0 | 111.2 | A265 D266 L271 V272 E273 | A265-S269 PolarHBondContact O-N 2.83Å; D266-S269 PolarHBondContact O-N 2.95Å; S269-L271 VanDerWaalsContact C-N 3.27Å; S269-L271 PolarHBondContact O-N 2.92Å; S269-V272 WeakPolarHBondContact O-CB 3.47Å; S269-V272 PolarHBondContact O-N 2.97Å; S269-V272 VanDerWaalsContact O-N 3.09Å; S269-E273 PolarHBondContact O-N 2.66Å |
| 270 | R | 95.8 | Very high | 94.9 | Very high | 154 Ų | 154 | 102.6 Ų | 102.6 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -37.1 | 176.6 | -73 | 175.9 | 61.6 | -174.1 | -0.9 | 112.9 | D266 Q274 | D266-R270 WeakPolarHBondContact O-CG 3.35Å; D266-R270 PolarHBondContact O-N 2.93Å; R270-Q274 WeakPolarHBondContact O-CB 3.49Å; R270-Q274 VanDerWaalsContact O-CG 3.24Å; R270-Q274 WeakPolarHBondContact O-CG 3.29Å; R270-Q274 PolarHBondContact O-N 3.05Å |
| 271 | L | 94.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | 177.7 | -172.3 | 128.4 | 0 | 0 | 0 | 111.8 | T267 K268 S269 S275 | T267-L271 WeakPolarHBondContact O-CB 3.34Å; T267-L271 PolarHBondContact O-N 3.36Å; K268-L271 PolarHBondContact O-N 3.33Å; S269-L271 VanDerWaalsContact C-N 3.27Å; S269-L271 PolarHBondContact O-N 2.92Å; L271-S275 WeakPolarHBondContact O-CB 3.32Å; L271-S275 PolarHBondContact O-N 3.04Å |
| 272 | V | 94.5 | Very high | 95 | Very high | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.418 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | K268 S269 Q274 S275 E276 | K268-V272 WeakPolarHBondContact O-CG2 3.37Å; K268-V272 PolarHBondContact O-N 2.94Å; K268-V272 VanDerWaalsContact O-N 3.09Å; S269-V272 WeakPolarHBondContact O-CB 3.47Å; S269-V272 PolarHBondContact O-N 2.97Å; S269-V272 VanDerWaalsContact O-N 3.09Å; V272-Q274 VanDerWaalsContact C-N 3.3Å; V272-Q274 PolarHBondContact O-N 3.22Å; V272-S275 WeakPolarHBondContact O-CB 3.23Å; V272-S275 PolarHBondContact O-N 2.9Å; V272-E276 WeakPolarHBondContact O-CG 3.48Å; V272-E276 PolarHBondContact O-N 3Å |
| 273 | E | 94.6 | Very high | 95 | Very high | 106 Ų | 106 | 102.3 Ų | 102.3 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 176.9 | -70.6 | 167.5 | -161.1 | 0 | 0 | 112.3 | S269 E276 T277 | S269-E273 PolarHBondContact O-N 2.66Å; E273-E276 PolarHBondContact O-N 3.45Å; E273-T277 WeakPolarHBondContact O-CB 3.49Å; E273-T277 PolarHBondContact O-N 3.4Å; E273-T277 PolarHBondContact O-OG1 3.38Å |
| 274 | Q | 94 | Very high | 95 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.5 | -76.8 | -179.9 | -18.3 | 0 | 0 | 112 | R270 V272 T277 I278 | R270-Q274 WeakPolarHBondContact O-CB 3.49Å; R270-Q274 VanDerWaalsContact O-CG 3.24Å; R270-Q274 WeakPolarHBondContact O-CG 3.29Å; R270-Q274 PolarHBondContact O-N 3.05Å; V272-Q274 VanDerWaalsContact C-N 3.3Å; V272-Q274 PolarHBondContact O-N 3.22Å; Q274-T277 PolarHBondContact O-N 3.49Å; Q274-I278 WeakPolarHBondContact O-CB 3.49Å; Q274-I278 VanDerWaalsContact O-CG1 3.23Å; Q274-I278 WeakPolarHBondContact O-CG1 3.27Å; Q274-I278 PolarHBondContact O-N 2.99Å |
| 275 | S | 94.9 | Very high | 94.9 | Very high | 57 Ų | 57 | 98.4 Ų | 98.4 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | L271 V272 I278 N279 | L271-S275 WeakPolarHBondContact O-CB 3.32Å; L271-S275 PolarHBondContact O-N 3.04Å; V272-S275 WeakPolarHBondContact O-CB 3.23Å; V272-S275 PolarHBondContact O-N 2.9Å; S275-I278 PolarHBondContact O-N 3.43Å; S275-N279 PolarHBondContact O-N 3.3Å; S275-N279 PolarHBondContact O-ND2 3.29Å |
| 276 | E | 95.2 | Very high | 95 | Very high | 111 Ų | 111 | 102.1 Ų | 102.1 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.3 | -70.9 | 173.3 | 173.6 | 0 | 0 | 111 | V272 E273 I278 N279 E280 | V272-E276 WeakPolarHBondContact O-CG 3.48Å; V272-E276 PolarHBondContact O-N 3Å; E273-E276 PolarHBondContact O-N 3.45Å; E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 2.93Å; E276-N279 WeakPolarHBondContact O-CB 3.43Å; E276-N279 PolarHBondContact O-N 3.41Å; E276-N279 VanDerWaalsContact O-N 3.13Å; E276-E280 PolarHBondContact O-N 3.41Å |
| 277 | T | 95.4 | Very high | 95 | Very high | 76 Ų | 76 | 101 Ų | 101 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.9 | E273 Q274 E280 L281 | E273-T277 WeakPolarHBondContact O-CB 3.49Å; E273-T277 PolarHBondContact O-N 3.4Å; E273-T277 PolarHBondContact O-OG1 3.38Å; Q274-T277 PolarHBondContact O-N 3.49Å; T277-E280 PolarHBondContact O-N 3.1Å; T277-L281 HydrophobicContact CG2-CD1 4.24Å; T277-L281 WeakPolarHBondContact O-CB 3.24Å; T277-L281 VanDerWaalsContact O-CG 3.3Å; T277-L281 WeakPolarHBondContact O-CG 3.43Å; T277-L281 PolarHBondContact O-N 3.41Å |
| 278 | I | 94.4 | Very high | 95.1 | Very high | 92 Ų | 92 | 103.9 Ų | 103.9 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.2 | -72.7 | 165.7 | 0 | 0 | 0 | 110.5 | Q274 S275 E276 L281 Q282 | Q274-I278 WeakPolarHBondContact O-CB 3.49Å; Q274-I278 VanDerWaalsContact O-CG1 3.23Å; Q274-I278 WeakPolarHBondContact O-CG1 3.27Å; Q274-I278 PolarHBondContact O-N 2.99Å; S275-I278 PolarHBondContact O-N 3.43Å; E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 2.93Å; I278-L281 PolarHBondContact O-N 3.13Å; I278-Q282 HydrophobicContact CG2-CG 4.41Å; I278-Q282 WeakPolarHBondContact O-CB 3.3Å; I278-Q282 WeakPolarHBondContact O-CG 3.48Å; I278-Q282 PolarHBondContact O-N 3.36Å |
| 279 | N | 95 | Very high | 95.1 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 178 | -69.9 | -21.4 | 0 | 0 | 0 | 111.3 | S275 E276 L281 Q282 E283 | S275-N279 PolarHBondContact O-N 3.3Å; S275-N279 PolarHBondContact O-ND2 3.29Å; E276-N279 WeakPolarHBondContact O-CB 3.43Å; E276-N279 PolarHBondContact O-N 3.41Å; E276-N279 VanDerWaalsContact O-N 3.13Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3Å; N279-Q282 PolarHBondContact O-N 3.45Å; N279-E283 PolarHBondContact O-N 3.39Å |
| 280 | E | 95.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.4 | -72.1 | -175.1 | -171.4 | 0 | 0 | 112.6 | E276 T277 E283 K284 | E276-E280 PolarHBondContact O-N 3.41Å; T277-E280 PolarHBondContact O-N 3.1Å; E280-E283 PolarHBondContact O-N 3.07Å; E280-K284 WeakPolarHBondContact O-CG 3.5Å; E280-K284 PolarHBondContact O-N 3.18Å; E280-K284 IonicContact OE2-NZ 2.67Å |
| 281 | L | 94.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 177 | -72.9 | 173.4 | 0 | 0 | 0 | 111.6 | T277 I278 N279 K284 M285 | T277-L281 HydrophobicContact CG2-CD1 4.24Å; T277-L281 WeakPolarHBondContact O-CB 3.24Å; T277-L281 VanDerWaalsContact O-CG 3.3Å; T277-L281 WeakPolarHBondContact O-CG 3.43Å; T277-L281 PolarHBondContact O-N 3.41Å; I278-L281 PolarHBondContact O-N 3.13Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3Å; L281-K284 PolarHBondContact O-N 2.94Å; L281-M285 WeakPolarHBondContact O-CG 3.33Å; L281-M285 PolarHBondContact O-N 3.36Å |
| 282 | Q | 95.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.1 | -75.6 | 178.9 | -12.2 | 0 | 0 | 112.2 | I278 N279 M285 K286 | I278-Q282 HydrophobicContact CG2-CG 4.41Å; I278-Q282 WeakPolarHBondContact O-CB 3.3Å; I278-Q282 WeakPolarHBondContact O-CG 3.48Å; I278-Q282 PolarHBondContact O-N 3.36Å; N279-Q282 PolarHBondContact O-N 3.45Å; Q282-M285 PolarHBondContact O-N 2.87Å; Q282-K286 WeakPolarHBondContact O-CG 3.35Å; Q282-K286 PolarHBondContact O-N 3.34Å |
| 283 | E | 94.8 | Very high | 95.2 | Very high | 138 Ų | 138 | 104.8 Ų | 104.8 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 173.7 | -72.1 | -162.6 | 147.5 | 0 | 0 | 111.6 | N279 E280 M285 K286 T287 | N279-E283 PolarHBondContact O-N 3.39Å; E280-E283 PolarHBondContact O-N 3.07Å; E283-M285 VanDerWaalsContact C-N 3.27Å; E283-M285 PolarHBondContact O-N 3.2Å; E283-K286 PolarHBondContact O-N 3.44Å; E283-K286 VanDerWaalsContact O-N 3.13Å; E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 2.98Å |
| 284 | K | 96 | Very high | 95.3 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 174.6 | -72.9 | 168.9 | -177.2 | 159.8 | 0 | 112.4 | E280 L281 T287 L288 | E280-K284 WeakPolarHBondContact O-CG 3.5Å; E280-K284 PolarHBondContact O-N 3.18Å; E280-K284 IonicContact OE2-NZ 2.67Å; L281-K284 PolarHBondContact O-N 2.94Å; K284-T287 WeakPolarHBondContact CA-OG1 3.46Å; K284-T287 PolarHBondContact O-OG1 3.3Å; K284-L288 WeakPolarHBondContact O-CB 3.29Å; K284-L288 VanDerWaalsContact O-CG 3.29Å; K284-L288 WeakPolarHBondContact O-CG 3.37Å; K284-L288 PolarHBondContact O-N 3.35Å; K284-L288 VanDerWaalsContact O-N 3.07Å |
| 285 | M | 94.7 | Very high | 95.4 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 174.1 | -78.1 | -173.6 | 71 | 0 | 0 | 111.6 | L281 Q282 E283 T287 L288 E289 | L281-M285 WeakPolarHBondContact O-CG 3.33Å; L281-M285 PolarHBondContact O-N 3.36Å; Q282-M285 PolarHBondContact O-N 2.87Å; E283-M285 VanDerWaalsContact C-N 3.27Å; E283-M285 PolarHBondContact O-N 3.2Å; M285-T287 VanDerWaalsContact C-N 3.35Å; M285-T287 PolarHBondContact O-N 3.16Å; M285-L288 PolarHBondContact O-N 2.94Å; M285-E289 WeakPolarHBondContact O-CG 3.4Å; M285-E289 PolarHBondContact O-N 3.24Å |
| 286 | K | 95.8 | Very high | 95.4 | Very high | 136 Ų | 136 | 106.9 Ų | 106.9 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 177.6 | -72.3 | 174.4 | -177.5 | 174.2 | 0 | 112.2 | Q282 E283 E289 V290 | Q282-K286 WeakPolarHBondContact O-CG 3.35Å; Q282-K286 PolarHBondContact O-N 3.34Å; E283-K286 PolarHBondContact O-N 3.44Å; E283-K286 VanDerWaalsContact O-N 3.13Å; K286-E289 PolarHBondContact O-N 3.24Å; K286-V290 WeakPolarHBondContact O-CG2 3.44Å; K286-V290 PolarHBondContact O-N 3.09Å |
| 287 | T | 95.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 108 Ų | 108 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 177.7 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | E283 K284 M285 E289 V290 E291 | E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 2.98Å; K284-T287 WeakPolarHBondContact CA-OG1 3.46Å; K284-T287 PolarHBondContact O-OG1 3.3Å; M285-T287 VanDerWaalsContact C-N 3.35Å; M285-T287 PolarHBondContact O-N 3.16Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.23Å; T287-V290 PolarHBondContact O-N 3.48Å; T287-V290 VanDerWaalsContact O-N 3.1Å; T287-E291 PolarHBondContact O-N 3.44Å |
| 288 | L | 95.5 | Very high | 95.4 | Very high | 107 Ų | 107 | 109.4 Ų | 109.4 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 176 | -73.9 | 171.6 | 0 | 0 | 0 | 112.6 | K284 M285 V290 E291 K292 | K284-L288 WeakPolarHBondContact O-CB 3.29Å; K284-L288 VanDerWaalsContact O-CG 3.29Å; K284-L288 WeakPolarHBondContact O-CG 3.37Å; K284-L288 PolarHBondContact O-N 3.35Å; K284-L288 VanDerWaalsContact O-N 3.07Å; M285-L288 PolarHBondContact O-N 2.94Å; L288-V290 VanDerWaalsContact C-N 3.35Å; L288-E291 PolarHBondContact O-N 2.85Å; L288-K292 VanDerWaalsContact O-CB 3.23Å; L288-K292 WeakPolarHBondContact O-CB 3.23Å; L288-K292 PolarHBondContact O-N 3.45Å |
| 289 | E | 95.2 | Very high | 95.5 | Very high | 102 Ų | 102 | 109.5 Ų | 109.5 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -33.9 | 174.3 | -77.2 | 175.9 | 174.3 | 0 | 0 | 113.2 | M285 K286 T287 R293 | M285-E289 WeakPolarHBondContact O-CG 3.4Å; M285-E289 PolarHBondContact O-N 3.24Å; K286-E289 PolarHBondContact O-N 3.24Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.23Å; E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.41Å; E289-R293 PolarHBondContact O-NE 3.37Å |
| 290 | V | 95.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 110.4 Ų | 110.4 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.4 | -45.6 | 174 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | K286 T287 L288 K292 R293 K294 | K286-V290 WeakPolarHBondContact O-CG2 3.44Å; K286-V290 PolarHBondContact O-N 3.09Å; T287-V290 PolarHBondContact O-N 3.48Å; T287-V290 VanDerWaalsContact O-N 3.1Å; L288-V290 VanDerWaalsContact C-N 3.35Å; V290-K292 PolarHBondContact O-N 3.39Å; V290-R293 PolarHBondContact O-N 2.97Å; V290-K294 PolarHBondContact O-N 2.91Å; V290-K294 VanDerWaalsContact O-N 3.09Å |
| 291 | E | 95.2 | Very high | 95.5 | Very high | 119 Ų | 119 | 109.9 Ų | 109.9 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 177.1 | -70.8 | 179.9 | 173 | 0 | 0 | 111.9 | T287 L288 R293 K294 V295 | T287-E291 PolarHBondContact O-N 3.44Å; L288-E291 PolarHBondContact O-N 2.85Å; E291-R293 PolarHBondContact O-N 2.91Å; E291-K294 PolarHBondContact O-N 3.41Å; E291-V295 WeakPolarHBondContact O-CG2 3.48Å; E291-V295 PolarHBondContact O-N 2.99Å |
| 292 | K | 96.2 | Very high | 95.4 | Very high | 128 Ų | 128 | 108.2 Ų | 108.2 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.3 | -48.6 | 175 | 179.1 | -176.5 | 167.6 | -173.9 | 0 | 111.5 | L288 V290 K294 V295 E296 | L288-K292 VanDerWaalsContact O-CB 3.23Å; L288-K292 WeakPolarHBondContact O-CB 3.23Å; L288-K292 PolarHBondContact O-N 3.45Å; V290-K292 PolarHBondContact O-N 3.39Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 3.35Å; K292-V295 PolarHBondContact O-N 3.5Å; K292-E296 WeakPolarHBondContact CE-OE1 3.36Å; K292-E296 HydrophobicContact CG-CG 4.46Å; K292-E296 IonicContact NZ-OE1 3.34Å; K292-E296 WeakPolarHBondContact O-CG 3.49Å; K292-E296 PolarHBondContact O-N 3.06Å |
| 293 | R | 95.4 | Very high | 95.4 | Very high | 139 Ų | 139 | 108.3 Ų | 108.3 | 53% | 0.525 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 177.7 | -81.8 | -177.1 | -79.7 | 177.4 | -6.8 | 112 | E289 V290 E291 V295 E296 E297 | E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.41Å; E289-R293 PolarHBondContact O-NE 3.37Å; V290-R293 PolarHBondContact O-N 2.97Å; E291-R293 PolarHBondContact O-N 2.91Å; R293-V295 VanDerWaalsContact C-N 3.35Å; R293-V295 PolarHBondContact O-N 3.23Å; R293-E296 PolarHBondContact O-N 3.42Å; R293-E297 WeakPolarHBondContact O-CG 3.34Å; R293-E297 PolarHBondContact O-N 2.99Å |
| 294 | K | 96.1 | Very high | 95.5 | Very high | 129 Ų | 129 | 105.8 Ų | 105.8 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 177.6 | -173 | 179.7 | 179.8 | -178.4 | 0 | 112.2 | V290 E291 K292 E297 Q298 | V290-K294 PolarHBondContact O-N 2.91Å; V290-K294 VanDerWaalsContact O-N 3.09Å; E291-K294 PolarHBondContact O-N 3.41Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 3.35Å; K294-E297 PolarHBondContact O-N 3.34Å; K294-Q298 WeakPolarHBondContact O-CG 3.43Å; K294-Q298 PolarHBondContact O-N 2.96Å |
| 295 | V | 95.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 107.1 Ų | 107.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E291 K292 R293 Q298 L299 | E291-V295 WeakPolarHBondContact O-CG2 3.48Å; E291-V295 PolarHBondContact O-N 2.99Å; K292-V295 PolarHBondContact O-N 3.5Å; R293-V295 VanDerWaalsContact C-N 3.35Å; R293-V295 PolarHBondContact O-N 3.23Å; V295-Q298 PolarHBondContact O-N 2.89Å; V295-L299 WeakPolarHBondContact O-CB 2.91Å; V295-L299 PolarHBondContact O-N 3.39Å |
| 296 | E | 95.5 | Very high | 95.4 | Very high | 100 Ų | 100 | 104.3 Ų | 104.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176 | -74.4 | 174.3 | 161.5 | 0 | 0 | 112 | K292 R293 L299 Q300 | K292-E296 WeakPolarHBondContact CE-OE1 3.36Å; K292-E296 HydrophobicContact CG-CG 4.46Å; K292-E296 IonicContact NZ-OE1 3.34Å; K292-E296 WeakPolarHBondContact O-CG 3.49Å; K292-E296 PolarHBondContact O-N 3.06Å; R293-E296 PolarHBondContact O-N 3.42Å; E296-L299 PolarHBondContact O-N 2.91Å; E296-Q300 WeakPolarHBondContact O-CB 3.37Å; E296-Q300 PolarHBondContact O-N 2.67Å |
| 297 | E | 95.3 | Very high | 95.4 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 174.1 | -74 | 171.4 | -178.9 | 0 | 0 | 112 | R293 K294 L299 Q300 E301 | R293-E297 WeakPolarHBondContact O-CG 3.34Å; R293-E297 PolarHBondContact O-N 2.99Å; K294-E297 PolarHBondContact O-N 3.34Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.46Å; E297-Q300 PolarHBondContact O-N 3.23Å; E297-E301 PolarHBondContact O-N 3.4Å |
| 298 | Q | 95.7 | Very high | 95.3 | Very high | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.9 | -74.2 | 179.7 | -14.9 | 0 | 0 | 112.5 | K294 V295 S302 | K294-Q298 WeakPolarHBondContact O-CG 3.43Å; K294-Q298 PolarHBondContact O-N 2.96Å; V295-Q298 PolarHBondContact O-N 2.89Å; Q298-S302 WeakPolarHBondContact O-CB 3.43Å; Q298-S302 PolarHBondContact O-N 3.43Å; Q298-S302 PolarHBondContact O-OG 3.42Å |
| 299 | L | 95.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.3 | 179.5 | 63.4 | 0 | 0 | 0 | 111 | V295 E296 E297 S302 K303 | V295-L299 WeakPolarHBondContact O-CB 2.91Å; V295-L299 PolarHBondContact O-N 3.39Å; E296-L299 PolarHBondContact O-N 2.91Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.46Å; L299-S302 PolarHBondContact O-N 2.85Å; L299-K303 WeakPolarHBondContact O-CG 3.45Å; L299-K303 PolarHBondContact O-N 3.3Å |
| 300 | Q | 94.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.2 | -172 | 58.5 | 32.3 | 0 | 0 | 111.7 | E296 E297 K303 N304 | E296-Q300 WeakPolarHBondContact O-CB 3.37Å; E296-Q300 PolarHBondContact O-N 2.67Å; E297-Q300 PolarHBondContact O-N 3.23Å; Q300-K303 PolarHBondContact O-N 3.47Å; Q300-N304 PolarHBondContact NE2-OD1 2.94Å; Q300-N304 VanDerWaalsContact O-CG 3.23Å; Q300-N304 PolarHBondContact O-N 3.35Å; Q300-N304 PolarHBondContact O-OD1 3.34Å |
| 301 | E | 95.6 | Very high | 95.3 | Very high | 96 Ų | 96 | 103.8 Ų | 103.8 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.3 | -167 | -174.7 | 176 | 0 | 0 | 111.5 | E297 K303 N304 R305 | E297-E301 PolarHBondContact O-N 3.4Å; E301-K303 VanDerWaalsContact C-N 3.34Å; E301-K303 PolarHBondContact O-N 2.96Å; E301-N304 WeakPolarHBondContact O-CB 3.35Å; E301-N304 PolarHBondContact O-N 3.19Å; E301-N304 VanDerWaalsContact O-N 3.17Å; E301-R305 WeakPolarHBondContact O-CG 3.49Å; E301-R305 PolarHBondContact O-N 3.49Å; E301-R305 IonicContact OE1-CZ 2.81Å; E301-R305 IonicContact OE1-NE 3.22Å; E301-R305 IonicContact OE1-NH2 2.76Å; E301-R305 PolarHBondContact OE1-NH2 2.93Å; E301-R305 IonicContact OE2-NH2 3.41Å; E301-R305 PolarHBondContact OE2-NH2 3.17Å |
| 302 | S | 94 | Very high | 95.3 | Very high | 62 Ų | 62 | 103.5 Ų | 103.5 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.6 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | Q298 L299 R305 A306 | Q298-S302 WeakPolarHBondContact O-CB 3.43Å; Q298-S302 PolarHBondContact O-N 3.43Å; Q298-S302 PolarHBondContact O-OG 3.42Å; L299-S302 PolarHBondContact O-N 2.85Å; S302-R305 PolarHBondContact O-N 3.36Å; S302-A306 WeakPolarHBondContact O-CB 3.39Å; S302-A306 PolarHBondContact O-N 2.98Å |
| 303 | K | 96 | Very high | 95.2 | Very high | 103 Ų | 103 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 172.9 | -76.3 | 175.3 | 179.5 | 176.2 | 0 | 112 | L299 Q300 E301 A306 N307 | L299-K303 WeakPolarHBondContact O-CG 3.45Å; L299-K303 PolarHBondContact O-N 3.3Å; Q300-K303 PolarHBondContact O-N 3.47Å; E301-K303 VanDerWaalsContact C-N 3.34Å; E301-K303 PolarHBondContact O-N 2.96Å; K303-A306 PolarHBondContact O-N 2.97Å; K303-N307 WeakPolarHBondContact O-CB 3.43Å; K303-N307 VanDerWaalsContact O-CG 3.27Å; K303-N307 PolarHBondContact O-N 2.97Å; K303-N307 PolarHBondContact O-ND2 2.93Å |
| 304 | N | 95.1 | Very high | 95.2 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.7 | -69.4 | -14 | 0 | 0 | 0 | 111.3 | Q300 E301 N307 A308 | Q300-N304 PolarHBondContact NE2-OD1 2.94Å; Q300-N304 VanDerWaalsContact O-CG 3.23Å; Q300-N304 PolarHBondContact O-N 3.35Å; Q300-N304 PolarHBondContact O-OD1 3.34Å; E301-N304 WeakPolarHBondContact O-CB 3.35Å; E301-N304 PolarHBondContact O-N 3.19Å; E301-N304 VanDerWaalsContact O-N 3.17Å; N304-N307 PolarHBondContact O-N 3.49Å; N304-A308 PolarHBondContact O-N 2.95Å |
| 305 | R | 95.6 | Very high | 95.1 | Very high | 140 Ų | 140 | 97.9 Ų | 97.9 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175 | -67.2 | -176.6 | -154.8 | 159.4 | 1.9 | 112.1 | E301 S302 N307 A308 L309 | E301-R305 WeakPolarHBondContact O-CG 3.49Å; E301-R305 PolarHBondContact O-N 3.49Å; E301-R305 IonicContact OE1-CZ 2.81Å; E301-R305 IonicContact OE1-NE 3.22Å; E301-R305 IonicContact OE1-NH2 2.76Å; E301-R305 PolarHBondContact OE1-NH2 2.93Å; E301-R305 IonicContact OE2-NH2 3.41Å; E301-R305 PolarHBondContact OE2-NH2 3.17Å; S302-R305 PolarHBondContact O-N 3.36Å; R305-N307 VanDerWaalsContact C-N 3.32Å; R305-N307 PolarHBondContact O-N 3.43Å; R305-A308 PolarHBondContact O-N 3.41Å; R305-L309 WeakPolarHBondContact O-CG 3.43Å; R305-L309 PolarHBondContact O-N 3.2Å |
| 306 | A | 94.4 | Very high | 95 | Very high | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S302 K303 A308 L309 Q310 | S302-A306 WeakPolarHBondContact O-CB 3.39Å; S302-A306 PolarHBondContact O-N 2.98Å; K303-A306 PolarHBondContact O-N 2.97Å; A306-A308 PolarHBondContact O-N 3.4Å; A306-L309 PolarHBondContact O-N 3.16Å; A306-Q310 WeakPolarHBondContact O-CB 3.48Å; A306-Q310 PolarHBondContact O-N 3.36Å |
| 307 | N | 95 | Very high | 94.9 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 175.8 | -72.8 | -23.7 | 0 | 0 | 0 | 112.7 | K303 N304 R305 K311 | K303-N307 WeakPolarHBondContact O-CB 3.43Å; K303-N307 VanDerWaalsContact O-CG 3.27Å; K303-N307 PolarHBondContact O-N 2.97Å; K303-N307 PolarHBondContact O-ND2 2.93Å; N304-N307 PolarHBondContact O-N 3.49Å; R305-N307 VanDerWaalsContact C-N 3.32Å; R305-N307 PolarHBondContact O-N 3.43Å; N307-K311 WeakPolarHBondContact O-CG 3.38Å; N307-K311 PolarHBondContact O-N 3.38Å; N307-K311 VanDerWaalsContact O-N 3.16Å |
| 308 | A | 94.8 | Very high | 94.8 | Very high | 45 Ų | 45 | 93.9 Ų | 93.9 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N304 R305 A306 Q310 K311 E312 | N304-A308 PolarHBondContact O-N 2.95Å; R305-A308 PolarHBondContact O-N 3.41Å; A306-A308 PolarHBondContact O-N 3.4Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 PolarHBondContact O-N 3.1Å; A308-K311 WeakPolarHBondContact O-CB 3.38Å; A308-K311 PolarHBondContact O-N 2.99Å; A308-K311 VanDerWaalsContact O-N 3.13Å; A308-E312 PolarHBondContact O-N 3.13Å |
| 309 | L | 95.2 | Very high | 94.7 | Very high | 109 Ų | 109 | 93.7 Ų | 93.7 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -37.8 | 176.6 | -70.6 | 171.8 | 0 | 0 | 0 | 112.2 | R305 A306 E312 L313 | R305-L309 WeakPolarHBondContact O-CG 3.43Å; R305-L309 PolarHBondContact O-N 3.2Å; A306-L309 PolarHBondContact O-N 3.16Å; L309-E312 PolarHBondContact O-N 2.9Å; L309-L313 WeakPolarHBondContact O-CB 3.43Å; L309-L313 PolarHBondContact O-N 3.44Å |
| 310 | Q | 95.4 | Very high | 94.5 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.3 | -173.9 | 62.5 | 57 | 0 | 0 | 111.5 | A306 A308 L313 D314 | A306-Q310 WeakPolarHBondContact O-CB 3.48Å; A306-Q310 PolarHBondContact O-N 3.36Å; A308-Q310 VanDerWaalsContact C-N 3.3Å; A308-Q310 PolarHBondContact O-N 3.1Å; Q310-L313 PolarHBondContact O-N 3.36Å; Q310-D314 PolarHBondContact NE2-OD1 3.29Å; Q310-D314 WeakPolarHBondContact O-CB 3.5Å; Q310-D314 PolarHBondContact O-N 2.86Å |
| 311 | K | 94.8 | Very high | 94.4 | Very high | 145 Ų | 145 | 99.1 Ų | 99.1 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 175.8 | -73.2 | 177.3 | 179.2 | -178.1 | 0 | 112.3 | N307 A308 L313 D314 N315 | N307-K311 WeakPolarHBondContact O-CG 3.38Å; N307-K311 PolarHBondContact O-N 3.38Å; N307-K311 VanDerWaalsContact O-N 3.16Å; A308-K311 WeakPolarHBondContact O-CB 3.38Å; A308-K311 PolarHBondContact O-N 2.99Å; A308-K311 VanDerWaalsContact O-N 3.13Å; K311-L313 VanDerWaalsContact C-N 3.32Å; K311-D314 PolarHBondContact O-N 3.27Å; K311-N315 WeakPolarHBondContact O-CB 3.27Å; K311-N315 PolarHBondContact O-N 2.97Å; K311-N315 PolarHBondContact O-ND2 3.44Å |
| 312 | E | 94.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.7 | -72.7 | 176.1 | -170.5 | 0 | 0 | 111.6 | A308 L309 N315 C316 | A308-E312 PolarHBondContact O-N 3.13Å; L309-E312 PolarHBondContact O-N 2.9Å; E312-N315 PolarHBondContact O-N 2.94Å; E312-C316 WeakPolarHBondContact O-CB 3.48Å; E312-C316 PolarHBondContact O-N 3.39Å; E312-C316 PolarHBondContact O-SG 3.46Å |
| 313 | L | 94.7 | Very high | 94.2 | Very high | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.3 | -179.1 | 62.5 | 0 | 0 | 0 | 111.4 | L309 Q310 K311 N315 C316 V317 | L309-L313 WeakPolarHBondContact O-CB 3.43Å; L309-L313 PolarHBondContact O-N 3.44Å; Q310-L313 PolarHBondContact O-N 3.36Å; K311-L313 VanDerWaalsContact C-N 3.32Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.19Å; L313-C316 PolarHBondContact O-N 2.97Å; L313-V317 HydrophobicContact CD1-CG2 4.2Å; L313-V317 HydrophobicContact CG-CG2 4.4Å; L313-V317 WeakPolarHBondContact O-CB 3.36Å; L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.45Å; L313-V317 PolarHBondContact O-N 2.91Å |
| 314 | D | 94.5 | Very high | 94 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 178.3 | -68.5 | -17.4 | 0 | 0 | 0 | 111 | Q310 K311 V317 Q318 | Q310-D314 PolarHBondContact NE2-OD1 3.29Å; Q310-D314 WeakPolarHBondContact O-CB 3.5Å; Q310-D314 PolarHBondContact O-N 2.86Å; K311-D314 PolarHBondContact O-N 3.27Å; D314-V317 PolarHBondContact O-N 3.14Å; D314-Q318 WeakPolarHBondContact O-CB 3.38Å; D314-Q318 PolarHBondContact O-N 2.86Å |
| 315 | N | 94.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 174.2 | -72.1 | -16.5 | 0 | 0 | 0 | 111.7 | K311 E312 L313 V317 Q318 V319 | K311-N315 WeakPolarHBondContact O-CB 3.27Å; K311-N315 PolarHBondContact O-N 2.97Å; K311-N315 PolarHBondContact O-ND2 3.44Å; E312-N315 PolarHBondContact O-N 2.94Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.19Å; N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 2.92Å; N315-Q318 PolarHBondContact O-N 3.23Å; N315-V319 WeakPolarHBondContact O-CG2 3.45Å; N315-V319 PolarHBondContact O-N 3.44Å |
| 316 | C | 93.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 177.8 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | E312 L313 Q318 V319 Q320 | E312-C316 WeakPolarHBondContact O-CB 3.48Å; E312-C316 PolarHBondContact O-N 3.39Å; E312-C316 PolarHBondContact O-SG 3.46Å; L313-C316 PolarHBondContact O-N 2.97Å; C316-Q318 VanDerWaalsContact C-N 3.33Å; C316-Q318 PolarHBondContact O-N 3.34Å; C316-V319 PolarHBondContact O-N 3.1Å; C316-Q320 WeakPolarHBondContact O-CB 3.41Å; C316-Q320 PolarHBondContact O-N 2.9Å |
| 317 | V | 94.8 | Very high | 93.2 | Very high | 47 Ų | 47 | 100.8 Ų | 100.8 | 29% | 0.285 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L313 D314 N315 Q320 R321 | L313-V317 HydrophobicContact CD1-CG2 4.2Å; L313-V317 HydrophobicContact CG-CG2 4.4Å; L313-V317 WeakPolarHBondContact O-CB 3.36Å; L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.45Å; L313-V317 PolarHBondContact O-N 2.91Å; D314-V317 PolarHBondContact O-N 3.14Å; N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 2.92Å; V317-Q320 PolarHBondContact O-N 3.38Å; V317-R321 WeakPolarHBondContact O-CG 3.46Å; V317-R321 PolarHBondContact O-N 2.89Å |
| 318 | Q | 92.8 | Very high | 92.9 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 176.1 | -175.2 | 178.4 | -21.9 | 0 | 0 | 111.5 | D314 N315 C316 Q320 R321 D322 | D314-Q318 WeakPolarHBondContact O-CB 3.38Å; D314-Q318 PolarHBondContact O-N 2.86Å; N315-Q318 PolarHBondContact O-N 3.23Å; C316-Q318 VanDerWaalsContact C-N 3.33Å; C316-Q318 PolarHBondContact O-N 3.34Å; Q318-Q320 VanDerWaalsContact C-N 3.25Å; Q318-Q320 PolarHBondContact O-N 2.89Å; Q318-R321 WeakPolarHBondContact O-CB 3.39Å; Q318-R321 PolarHBondContact O-N 3.37Å; Q318-R321 VanDerWaalsContact O-N 3.1Å; Q318-D322 PolarHBondContact O-N 2.9Å |
| 319 | V | 93.7 | Very high | 92.5 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.5 | -40.8 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | N315 C316 D322 F323 | N315-V319 WeakPolarHBondContact O-CG2 3.45Å; N315-V319 PolarHBondContact O-N 3.44Å; C316-V319 PolarHBondContact O-N 3.1Å; V319-D322 PolarHBondContact O-N 3.3Å; V319-F323 WeakPolarHBondContact O-CB 3.48Å; V319-F323 PolarHBondContact O-N 3.4Å |
| 320 | Q | 91.9 | Very high | 92.2 | Very high | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 176.8 | -168.2 | 178 | 23.7 | 0 | 0 | 112.2 | C316 V317 Q318 D322 F323 V324 | C316-Q320 WeakPolarHBondContact O-CB 3.41Å; C316-Q320 PolarHBondContact O-N 2.9Å; V317-Q320 PolarHBondContact O-N 3.38Å; Q318-Q320 VanDerWaalsContact C-N 3.25Å; Q318-Q320 PolarHBondContact O-N 2.89Å; Q320-D322 VanDerWaalsContact C-N 3.35Å; Q320-F323 PolarHBondContact O-N 2.96Å; Q320-V324 WeakPolarHBondContact O-CG2 3.5Å; Q320-V324 PolarHBondContact O-N 3.49Å |
| 321 | R | 92.5 | Very high | 91.6 | Very high | 178 Ų | 178 | 102.5 Ų | 102.5 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 174.4 | -74 | 177 | -173.4 | 159.4 | 4.3 | 111.4 | V317 Q318 F323 V324 H325 | V317-R321 WeakPolarHBondContact O-CG 3.46Å; V317-R321 PolarHBondContact O-N 2.89Å; Q318-R321 WeakPolarHBondContact O-CB 3.39Å; Q318-R321 PolarHBondContact O-N 3.37Å; Q318-R321 VanDerWaalsContact O-N 3.1Å; R321-F323 VanDerWaalsContact C-N 3.34Å; R321-F323 PolarHBondContact O-N 2.92Å; R321-V324 PolarHBondContact O-N 3.5Å; R321-H325 WeakPolarHBondContact O-CB 3.37Å; R321-H325 PolarHBondContact O-N 2.98Å |
| 322 | D | 92.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 178.2 | -69 | -17.9 | 0 | 0 | 0 | 110.9 | Q318 V319 Q320 H325 L326 | Q318-D322 PolarHBondContact O-N 2.9Å; V319-D322 PolarHBondContact O-N 3.3Å; Q320-D322 VanDerWaalsContact C-N 3.35Å; D322-H325 PolarHBondContact O-N 3.4Å; D322-L326 WeakPolarHBondContact O-CB 3.34Å; D322-L326 WeakPolarHBondContact O-CD1 3.34Å; D322-L326 PolarHBondContact O-N 3.44Å |
| 323 | F | 92.3 | Very high | 90.4 | Very high | 151 Ų | 151 | 99.2 Ų | 99.2 | 66% | 0.662 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 174.8 | -176.3 | -95.4 | 0 | 0 | 0 | 112.5 | V319 Q320 R321 L326 S327 | V319-F323 WeakPolarHBondContact O-CB 3.48Å; V319-F323 PolarHBondContact O-N 3.4Å; Q320-F323 PolarHBondContact O-N 2.96Å; R321-F323 VanDerWaalsContact C-N 3.34Å; R321-F323 PolarHBondContact O-N 2.92Å; F323-L326 PolarHBondContact O-N 2.87Å; F323-S327 VanDerWaalsContact O-CB 3.29Å; F323-S327 WeakPolarHBondContact O-CB 3.29Å; F323-S327 PolarHBondContact O-N 2.83Å; F323-S327 PolarHBondContact O-OG 3.28Å |
| 324 | V | 92.4 | Very high | 89.6 | Confident | 65 Ų | 65 | 99 Ų | 99 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | Q320 R321 S327 Q328 | Q320-V324 WeakPolarHBondContact O-CG2 3.5Å; Q320-V324 PolarHBondContact O-N 3.49Å; R321-V324 PolarHBondContact O-N 3.5Å; V324-S327 WeakPolarHBondContact CA-OG 3.45Å; V324-S327 PolarHBondContact O-N 3.37Å; V324-S327 PolarHBondContact O-OG 3.31Å; V324-Q328 WeakPolarHBondContact O-CB 3.41Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.43Å; V324-Q328 PolarHBondContact O-N 2.82Å |
| 325 | H | 90.1 | Very high | 88.9 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 178.8 | -176.7 | -92.7 | 0 | 0 | 0 | 112.5 | R321 D322 Q328 S329 | R321-H325 WeakPolarHBondContact O-CB 3.37Å; R321-H325 PolarHBondContact O-N 2.98Å; D322-H325 PolarHBondContact O-N 3.4Å; H325-Q328 PolarHBondContact O-N 2.89Å; H325-S329 WeakPolarHBondContact O-CB 3.46Å; H325-S329 PolarHBondContact O-N 3.3Å |
| 326 | L | 90.5 | Very high | 88 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 176.3 | -100.3 | 74.9 | 0 | 0 | 0 | 111.6 | D322 F323 S329 L330 | D322-L326 WeakPolarHBondContact O-CB 3.34Å; D322-L326 WeakPolarHBondContact O-CD1 3.34Å; D322-L326 PolarHBondContact O-N 3.44Å; F323-L326 PolarHBondContact O-N 2.87Å; L326-S329 PolarHBondContact O-N 2.97Å; L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 PolarHBondContact O-N 3.31Å |
| 327 | S | 87.6 | Confident | 87 | Confident | 38 Ų | 38 | 101.3 Ų | 101.3 | 27% | 0.266 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 179.4 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | F323 V324 L330 Q331 | F323-S327 VanDerWaalsContact O-CB 3.29Å; F323-S327 WeakPolarHBondContact O-CB 3.29Å; F323-S327 PolarHBondContact O-N 2.83Å; F323-S327 PolarHBondContact O-OG 3.28Å; V324-S327 WeakPolarHBondContact CA-OG 3.45Å; V324-S327 PolarHBondContact O-N 3.37Å; V324-S327 PolarHBondContact O-OG 3.31Å; S327-L330 PolarHBondContact O-N 3.49Å; S327-Q331 VanDerWaalsContact O-CG 3.3Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 2.99Å |
| 328 | Q | 88.4 | Confident | 85.8 | Confident | 107 Ų | 107 | 107.4 Ų | 107.4 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 172.4 | -72.5 | 175.7 | 4.3 | 0 | 0 | 111.8 | V324 H325 L330 Q331 V332 | V324-Q328 WeakPolarHBondContact O-CB 3.41Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.43Å; V324-Q328 PolarHBondContact O-N 2.82Å; H325-Q328 PolarHBondContact O-N 2.89Å; Q328-L330 VanDerWaalsContact C-N 3.32Å; Q328-L330 PolarHBondContact O-N 2.88Å; Q328-Q331 PolarHBondContact O-N 3.49Å; Q328-V332 WeakPolarHBondContact O-CG2 3.29Å; Q328-V332 PolarHBondContact O-N 3.44Å |
| 329 | S | 87.6 | Confident | 84.5 | Confident | 51 Ų | 51 | 108.2 Ų | 108.2 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.1 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | H325 L326 V332 Q333 | H325-S329 WeakPolarHBondContact O-CB 3.46Å; H325-S329 PolarHBondContact O-N 3.3Å; L326-S329 PolarHBondContact O-N 2.97Å; S329-V332 PolarHBondContact O-N 2.9Å; S329-Q333 WeakPolarHBondContact O-CG 3.44Å; S329-Q333 PolarHBondContact O-N 2.96Å |
| 330 | L | 87.3 | Confident | 83.1 | Confident | 99 Ų | 99 | 106.2 Ų | 106.2 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.2 | -175.9 | 68.1 | 0 | 0 | 0 | 111.5 | L326 S327 Q328 V332 Q333 L334 | L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 PolarHBondContact O-N 3.31Å; S327-L330 PolarHBondContact O-N 3.49Å; Q328-L330 VanDerWaalsContact C-N 3.32Å; Q328-L330 PolarHBondContact O-N 2.88Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.81Å; L330-Q333 PolarHBondContact O-N 3.1Å; L330-L334 HydrophobicContact CD1-CG 4.48Å; L330-L334 HydrophobicContact CG-CD1 4.04Å; L330-L334 HydrophobicContact CG-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 VanDerWaalsContact O-CG 3.28Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 2.84Å |
| 331 | Q | 82.8 | Confident | 81.3 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 175.8 | -75.4 | 173.2 | 8 | 0 | 0 | 111.7 | S327 Q328 Q333 L334 E335 | S327-Q331 VanDerWaalsContact O-CG 3.3Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 2.99Å; Q328-Q331 PolarHBondContact O-N 3.49Å; Q331-Q333 PolarHBondContact O-N 2.85Å; Q331-L334 PolarHBondContact O-N 3.05Å; Q331-E335 WeakPolarHBondContact O-CB 3.35Å; Q331-E335 PolarHBondContact O-N 2.92Å |
| 332 | V | 85 | Confident | 79.6 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | Q328 S329 L330 E335 K336 | Q328-V332 WeakPolarHBondContact O-CG2 3.29Å; Q328-V332 PolarHBondContact O-N 3.44Å; S329-V332 PolarHBondContact O-N 2.9Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.81Å; V332-E335 PolarHBondContact O-N 2.88Å; V332-K336 HydrophobicContact CG1-CD 4.45Å; V332-K336 WeakPolarHBondContact O-CG 3.38Å; V332-K336 PolarHBondContact O-N 3.29Å |
| 333 | Q | 80.7 | Confident | 77.9 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.3 | -74.2 | -178.5 | 2.5 | 0 | 0 | 112.3 | S329 L330 Q331 E335 K336 I337 | S329-Q333 WeakPolarHBondContact O-CG 3.44Å; S329-Q333 PolarHBondContact O-N 2.96Å; L330-Q333 PolarHBondContact O-N 3.1Å; Q331-Q333 PolarHBondContact O-N 2.85Å; Q333-E335 VanDerWaalsContact C-N 3.34Å; Q333-K336 WeakPolarHBondContact O-CB 3.26Å; Q333-K336 PolarHBondContact O-N 3.09Å; Q333-I337 WeakPolarHBondContact O-CG1 3.34Å; Q333-I337 PolarHBondContact O-N 3.09Å |
| 334 | L | 78.5 | Confident | 76.2 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -73.5 | 170.7 | 0 | 0 | 0 | 111.3 | L330 Q331 I337 R338 | L330-L334 HydrophobicContact CD1-CG 4.48Å; L330-L334 HydrophobicContact CG-CD1 4.04Å; L330-L334 HydrophobicContact CG-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 VanDerWaalsContact O-CG 3.28Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 2.84Å; Q331-L334 PolarHBondContact O-N 3.05Å; L334-I337 PolarHBondContact O-N 2.97Å; L334-R338 WeakPolarHBondContact O-CG 3.4Å; L334-R338 PolarHBondContact O-N 3.49Å |
| 335 | E | 77.8 | Confident | 75 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.9 | -168.3 | 58 | -154.8 | 0 | 0 | 111.7 | Q331 V332 Q333 I337 R338 Q339 | Q331-E335 WeakPolarHBondContact O-CB 3.35Å; Q331-E335 PolarHBondContact O-N 2.92Å; V332-E335 PolarHBondContact O-N 2.88Å; Q333-E335 VanDerWaalsContact C-N 3.34Å; E335-I337 VanDerWaalsContact C-N 3.32Å; E335-I337 PolarHBondContact O-N 3.33Å; E335-R338 PolarHBondContact O-N 3.22Å; E335-Q339 WeakPolarHBondContact O-CG 3.28Å; E335-Q339 PolarHBondContact O-N 3.33Å |
| 336 | K | 76.4 | Confident | 74.7 | Confident | 137 Ų | 137 | 109.8 Ų | 109.8 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 171.3 | -76.1 | 177.1 | -180 | -178.5 | 0 | 112.3 | V332 Q333 S340 | V332-K336 HydrophobicContact CG1-CD 4.45Å; V332-K336 WeakPolarHBondContact O-CG 3.38Å; V332-K336 PolarHBondContact O-N 3.29Å; Q333-K336 WeakPolarHBondContact O-CB 3.26Å; Q333-K336 PolarHBondContact O-N 3.09Å; K336-S340 PolarHBondContact O-N 3.17Å |
| 337 | I | 71.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 177 | -68 | 165.7 | 0 | 0 | 0 | 110.1 | Q333 L334 E335 Q339 S340 E341 | Q333-I337 WeakPolarHBondContact O-CG1 3.34Å; Q333-I337 PolarHBondContact O-N 3.09Å; L334-I337 PolarHBondContact O-N 2.97Å; E335-I337 VanDerWaalsContact C-N 3.32Å; E335-I337 PolarHBondContact O-N 3.33Å; I337-Q339 VanDerWaalsContact C-N 3.33Å; I337-Q339 PolarHBondContact O-N 3.23Å; I337-S340 CarbonylContact O-C 3.36Å; I337-S340 WeakPolarHBondContact O-CA 3.42Å; I337-S340 WeakPolarHBondContact O-CB 3.3Å; I337-S340 PolarHBondContact O-N 3.45Å; I337-S340 PolarHBondContact O-OG 3.43Å; I337-E341 PolarHBondContact O-N 2.92Å |
| 338 | R | 69 | Low | 74.4 | Confident | 175 Ų | 175 | 108.3 Ų | 108.3 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | 177.9 | -73.5 | -179.5 | 115.4 | -173.3 | 3.6 | 112.6 | L334 E335 S340 E341 | L334-R338 WeakPolarHBondContact O-CG 3.4Å; L334-R338 PolarHBondContact O-N 3.49Å; E335-R338 PolarHBondContact O-N 3.22Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 2.95Å; R338-E341 PolarHBondContact O-N 3.44Å |
| 339 | Q | 67.1 | Low | 74.3 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 174.8 | -70.8 | 174.4 | 7.7 | 0 | 0 | 111.6 | E335 I337 E341 H342 | E335-Q339 WeakPolarHBondContact O-CG 3.28Å; E335-Q339 PolarHBondContact O-N 3.33Å; I337-Q339 VanDerWaalsContact C-N 3.33Å; I337-Q339 PolarHBondContact O-N 3.23Å; Q339-E341 VanDerWaalsContact C-N 3.35Å; Q339-E341 PolarHBondContact O-N 3.22Å; Q339-H342 PolarHBondContact O-N 3.28Å |
| 340 | S | 63.2 | Low | 74.1 | Confident | 58 Ų | 58 | 113.8 Ų | 113.8 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.3 | -24.8 | 176.1 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | K336 I337 R338 H342 E343 | K336-S340 PolarHBondContact O-N 3.17Å; I337-S340 CarbonylContact O-C 3.36Å; I337-S340 WeakPolarHBondContact O-CA 3.42Å; I337-S340 WeakPolarHBondContact O-CB 3.3Å; I337-S340 PolarHBondContact O-N 3.45Å; I337-S340 PolarHBondContact O-OG 3.43Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 2.95Å; S340-H342 VanDerWaalsContact C-N 3.29Å; S340-E343 PolarHBondContact O-N 3.45Å |
| 341 | E | 55.5 | Low | 74 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.7 | -18.5 | 175.3 | -77.8 | -174 | 155.4 | 0 | 0 | 112.9 | I337 R338 Q339 E343 V344 | I337-E341 PolarHBondContact O-N 2.92Å; R338-E341 PolarHBondContact O-N 3.44Å; Q339-E341 VanDerWaalsContact C-N 3.35Å; Q339-E341 PolarHBondContact O-N 3.22Å; E341-E343 PolarHBondContact O-N 3.19Å; E341-V344 WeakPolarHBondContact O-CG2 3.44Å |
| 342 | H | 56.1 | Low | 74.3 | Confident | 181 Ų | 181 | 108.3 Ų | 108.3 | 84% | 0.838 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.6 | 175.8 | -136.1 | -63.6 | 0 | 0 | 0 | 113.3 | Q339 S340 | Q339-H342 PolarHBondContact O-N 3.28Å; S340-H342 VanDerWaalsContact C-N 3.29Å |
| 343 | E | 55.6 | Low | 74.5 | Confident | 163 Ų | 163 | 110.5 Ų | 110.5 | 76% | 0.762 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 36.4 | -176.4 | -145.7 | 175.1 | -147.5 | 0 | 0 | 111.6 | S340 E341 R345 | S340-E343 PolarHBondContact O-N 3.45Å; E341-E343 PolarHBondContact O-N 3.19Å; E343-R345 PolarHBondContact O-N 3.43Å |
| 344 | V | 57.8 | Low | 75 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | trans | -69.3 | 78.2 | 172.9 | 180 | 0 | 0 | 0 | 0 | 109.2 | E341 | E341-V344 WeakPolarHBondContact O-CG2 3.44Š| ||
| 345 | R | 67.4 | Low | 75.6 | Confident | 172 Ų | 172 | 103 Ų | 103 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | trans | -79.5 | 121.2 | 164.1 | -172.6 | -179.1 | 172.1 | 95.1 | 4.7 | 107.2 | E343 E347 E348 | E343-R345 PolarHBondContact O-N 3.43Å; R345-E347 PolarHBondContact O-N 3.14Å; R345-E348 IonicContact CZ-OE1 3.86Å; R345-E348 IonicContact NH2-OE1 2.79Å; R345-E348 PolarHBondContact NH2-OE1 2.95Å | ||
| 346 | W | 83.2 | Confident | 76.3 | Confident | 115 Ų | 115 | 103 Ų | 103 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | trans | -56.7 | 114.4 | 168.1 | -168.7 | -90 | 0 | 0 | 0 | 108 | E348 H370 | W346-E348 PolarHBondContact O-N 3.39Å; W346-H370 AromaticContact CD1-CD2 3.94Å; W346-H370 AromaticContact CD1-NE2 3.84Å; W346-H370 AromaticContact CE2-CD2 3.36Å; W346-H370 AromaticContact CE2-CG 3.6Å; W346-H370 AromaticContact CE2-NE2 3.8Å; W346-H370 HydrophobicContact CH2-CB 3.43Å; W346-H370 VanDerWaalsContact CH2-CB 3.43Å; W346-H370 AromaticContact CH2-CG 3.92Å; W346-H370 HydrophobicContact CZ2-CB 3.32Å; W346-H370 AromaticContact CZ2-CD2 3.57Å; W346-H370 AromaticContact CZ2-CG 3.26Å; W346-H370 AromaticContact CZ2-ND1 3.79Å; W346-H370 HydrophobicContact CZ3-CB 4.28Å; W346-H370 AromaticContact NE1-CD2 3.33Å; W346-H370 PolarHBondContact NE1-CD2 2.97Å; W346-H370 VanDerWaalsContact NE1-CD2 3.33Å; W346-H370 AromaticContact NE1-CE1 3.75Å; W346-H370 AromaticContact NE1-CG 3.84Å; W346-H370 AromaticContact NE1-NE2 3.26Å; W346-H370 PolarHBondContact NE1-NE2 3.06Å | ||
| 347 | E | 86.8 | Confident | 76.9 | Confident | 34 Ų | 34 | 98.3 Ų | 98.3 | 16% | 0.159 | 47% | 0.47 | C | S | . | . | trans | -66.9 | 130.1 | -177.1 | -75 | -173.7 | 149.4 | 0 | 0 | 108.9 | R345 V352 R356 H370 G375 R376 I377 | R345-E347 PolarHBondContact O-N 3.14Å; E347-V352 HydrophobicContact CB-CG2 3.96Å; E347-V352 HydrophobicContact CG-CG2 4.36Å; E347-R356 IonicContact OE1-CZ 3.99Å; E347-R356 IonicContact OE1-NE 2.72Å; E347-R356 PolarHBondContact OE1-NE 2.99Å; E347-R356 IonicContact OE1-NH2 3.66Å; E347-R356 PolarHBondContact OE1-NH2 3.27Å; E347-R356 IonicContact OE2-NE 3.96Å; E347-R356 PolarHBondContact OE2-NE 3.43Å; E347-H370 PolarHBondContact O-CD2 3.32Å; E347-H370 PolarHBondContact O-NE2 2.82Å; E347-G375 PolarHBondContact N-O 2.96Å; E347-R376 WeakPolarHBondContact OE2-CA 3.32Å; E347-I377 HydrophobicContact CB-CD1 4.12Å; E347-I377 HydrophobicContact CB-CG1 3.92Å; E347-I377 PolarHBondContact OE2-N 3.48Å | ||
| 348 | E | 84.5 | Confident | 77.8 | Confident | 92 Ų | 92 | 96.7 Ų | 96.7 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | trans | -74.7 | 138.7 | 174.8 | -69.9 | 171.1 | -139.7 | 0 | 0 | 108.8 | R345 W346 E350 D351 | R345-E348 IonicContact CZ-OE1 3.86Å; R345-E348 IonicContact NH2-OE1 2.79Å; R345-E348 PolarHBondContact NH2-OE1 2.95Å; W346-E348 PolarHBondContact O-N 3.39Å; E348-E350 PolarHBondContact O-N 3.48Å; E348-E350 VanDerWaalsContact O-N 3.12Å; E348-D351 PolarHBondContact O-N 2.94Å | ||
| 349 | E | 86.2 | Confident | 78.9 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -59.9 | -28.8 | -174.9 | -68.6 | -170.3 | -178.2 | 0 | 0 | 112 | D351 K368 H370 I377 | E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.85Å; E349-K368 HydrophobicContact CB-CD 4.09Å; E349-K368 HydrophobicContact CG-CB 4.49Å; E349-K368 WeakPolarHBondContact O-CD 3.33Å; E349-K368 PolarHBondContact O-NZ 3.32Å; E349-H370 IonicContact OE1-CE1 3.68Å; E349-I377 HydrophobicContact CB-CD1 4.39Å; E349-I377 HydrophobicContact CG-CD1 4.09Å |
| 350 | E | 83.4 | Confident | 80 | Confident | 168 Ų | 168 | 94 Ų | 94 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -66.9 | -33.4 | -178 | -61.1 | -178.4 | -174.3 | 0 | 0 | 112.4 | E348 V352 | E348-E350 PolarHBondContact O-N 3.48Å; E348-E350 VanDerWaalsContact O-N 3.12Å; E350-V352 PolarHBondContact O-N 3.19Å |
| 351 | D | 86.6 | Confident | 81.2 | Confident | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -84.6 | -9.8 | -173.4 | -65.8 | -30.7 | 0 | 0 | 0 | 114.2 | E348 E349 | E348-D351 PolarHBondContact O-N 2.94Å; E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.85Å |
| 352 | V | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | trans | -109.5 | 108.3 | -173.6 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | E347 E350 V354 F362 K368 I377 | E347-V352 HydrophobicContact CB-CG2 3.96Å; E347-V352 HydrophobicContact CG-CG2 4.36Å; E350-V352 PolarHBondContact O-N 3.19Å; V352-V354 WeakPolarHBondContact CG1-O 3.43Å; V352-F362 HydrophobicContact CG1-CD2 4.35Å; V352-F362 HydrophobicContact CG1-CE2 3.8Å; V352-K368 WeakPolarHBondContact O-CE 3.38Å; V352-K368 PolarHBondContact O-NZ 2.98Å; V352-I377 HydrophobicContact CB-CB 4.25Å; V352-I377 HydrophobicContact CB-CD1 3.97Å; V352-I377 HydrophobicContact CB-CG1 4.5Å; V352-I377 HydrophobicContact CG1-CB 4.11Å; V352-I377 HydrophobicContact CG2-CB 4.23Å; V352-I377 HydrophobicContact CG2-CD1 3.67Å; V352-I377 HydrophobicContact CG2-CG1 4.1Å | ||
| 353 | L | 90 | Very high | 84.3 | Confident | 125 Ų | 125 | 87.6 Ų | 87.6 | 65% | 0.654 | 43% | 0.431 | S | S | * | . | trans | -89.9 | -22 | 178.1 | -59.2 | 178.1 | 0 | 0 | 0 | 113.5 | V361 F362 | L353-V361 WeakPolarHBondContact O-CA 3.15Å; L353-F362 PolarHBondContact O-N 3.31Å | ||
| 354 | V | 92 | Very high | 85.7 | Confident | 45 Ų | 45 | 92 Ų | 92 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -132.3 | 144.3 | -173.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | V352 R356 Q360 V361 F362 | V352-V354 WeakPolarHBondContact CG1-O 3.43Å; V354-R356 PolarHBondContact O-N 3.36Å; V354-Q360 CarbonylContact C-O 3.59Å; V354-Q360 WeakPolarHBondContact CA-O 3.4Å; V354-V361 HydrophobicContact CG1-CG2 4.03Å; V354-F362 WeakPolarHBondContact O-CE2 3.32Å |
| 355 | C | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 96.6 Ų | 96.6 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -59.6 | 126.6 | 173.5 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | G357 K359 Q360 F362 C379 C382 | C355-G357 PolarHBondContact O-N 2.99Å; C355-G357 VanDerWaalsContact O-N 3.17Å; C355-G357 PolarHBondContact SG-N 3.36Å; C355-G357 VanDerWaalsContact SG-N 3.45Å; C355-K359 WeakPolarHBondContact O-CA 3.48Å; C355-K359 PolarHBondContact O-N 2.89Å; C355-Q360 PolarHBondContact N-O 2.9Å; C355-F362 VanDerWaalsContact CA-CZ 3.46Å; C355-F362 HydrophobicContact CB-CE1 4.17Å; C355-F362 HydrophobicContact CB-CE2 4.43Å; C355-F362 HydrophobicContact CB-CZ 3.84Å; C355-C379 HydrophobicContact CB-CB 4.15Å; C355-C379 PolarHBondContact SG-N 3.26Å; C355-C382 VanDerWaalsContact SG-SG 3.64Å | ||
| 356 | R | 91.1 | Very high | 88 | Confident | 88 Ų | 88 | 92.4 Ų | 92.4 | 33% | 0.332 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.4 | -178.3 | -66.1 | -64.7 | -170 | -142.5 | 4.1 | 114.1 | E347 V354 K359 R376 I377 F378 | E347-R356 IonicContact OE1-CZ 3.99Å; E347-R356 IonicContact OE1-NE 2.72Å; E347-R356 PolarHBondContact OE1-NE 2.99Å; E347-R356 IonicContact OE1-NH2 3.66Å; E347-R356 PolarHBondContact OE1-NH2 3.27Å; E347-R356 IonicContact OE2-NE 3.96Å; E347-R356 PolarHBondContact OE2-NE 3.43Å; V354-R356 PolarHBondContact O-N 3.36Å; R356-K359 PolarHBondContact O-NZ 2.89Å; R356-R376 HydrophobicContact CB-CB 4.48Å; R356-R376 HydrophobicContact CG-CB 4.15Å; R356-I377 WeakPolarHBondContact CB-O 3.35Å; R356-I377 VanDerWaalsContact CG-O 3.22Å; R356-I377 WeakPolarHBondContact CG-O 3.31Å; R356-I377 PolarHBondContact N-O 3.49Å; R356-F378 HydrophobicContact CB-CD1 4.15Å; R356-F378 HydrophobicContact CB-CE1 3.74Å; R356-F378 HydrophobicContact CB-CE2 4.31Å; R356-F378 HydrophobicContact CB-CZ 3.82Å |
| 357 | G | 89.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 96.3 Ų | 96.3 | 40% | 0.402 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -84.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | C355 K359 F378 | C355-G357 PolarHBondContact O-N 2.99Å; C355-G357 VanDerWaalsContact O-N 3.17Å; C355-G357 PolarHBondContact SG-N 3.36Å; C355-G357 VanDerWaalsContact SG-N 3.45Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 2.86Å; G357-F378 VanDerWaalsContact N-CD1 3.26Å; G357-F378 VanDerWaalsContact N-CE1 3.34Å |
| 358 | C | 90.5 | Very high | 88.5 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.2 | -174.3 | 65.6 | 0 | 0 | 0 | 0 | 116.4 | Q360 C382 | C358-Q360 HydrophobicContact CB-CG 4.26Å; C358-Q360 PolarHBondContact O-N 3.27Å; C358-Q360 VanDerWaalsContact SG-CG 3.55Å; C358-C382 VanDerWaalsContact CB-SG 3.52Å; C358-C382 PolarHBondContact N-SG 2.95Å |
| 359 | K | 92.1 | Very high | 88.8 | Confident | 137 Ų | 137 | 95.1 Ų | 95.1 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | trans | 60.7 | 10.6 | -178.4 | -48.9 | -55.8 | -173.8 | -167.4 | 0 | 116 | C355 R356 G357 | C355-K359 WeakPolarHBondContact O-CA 3.48Å; C355-K359 PolarHBondContact O-N 2.89Å; R356-K359 PolarHBondContact O-NZ 2.89Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 2.86Å | ||
| 360 | Q | 89.6 | Confident | 89.1 | Confident | 107 Ų | 107 | 91.2 Ų | 91.2 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 141.6 | 176.3 | -65.3 | -67.6 | -26 | 0 | 0 | 111.8 | V354 C355 C358 | V354-Q360 CarbonylContact C-O 3.59Å; V354-Q360 WeakPolarHBondContact CA-O 3.4Å; C355-Q360 PolarHBondContact N-O 2.9Å; C358-Q360 HydrophobicContact CB-CG 4.26Å; C358-Q360 PolarHBondContact O-N 3.27Å; C358-Q360 VanDerWaalsContact SG-CG 3.55Å |
| 361 | V | 90.1 | Very high | 89.5 | Confident | 93 Ų | 93 | 83.2 Ų | 83.2 | 56% | 0.564 | 39% | 0.394 | S | S | * | . | B | Isolated β-bridge | trans | -67.3 | 137.7 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | L353 V354 | L353-V361 WeakPolarHBondContact O-CA 3.15Å; V354-V361 HydrophobicContact CG1-CG2 4.03Å |
| 362 | F | 89.8 | Confident | 89.6 | Confident | 23 Ų | 23 | 85.4 Ų | 85.4 | 10% | 0.101 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 139.5 | 174.5 | -70.6 | -62.9 | 0 | 0 | 0 | 111.3 | V352 L353 V354 C355 R366 K368 I377 C379 | V352-F362 HydrophobicContact CG1-CD2 4.35Å; V352-F362 HydrophobicContact CG1-CE2 3.8Å; L353-F362 PolarHBondContact O-N 3.31Å; V354-F362 WeakPolarHBondContact O-CE2 3.32Å; C355-F362 VanDerWaalsContact CA-CZ 3.46Å; C355-F362 HydrophobicContact CB-CE1 4.17Å; C355-F362 HydrophobicContact CB-CE2 4.43Å; C355-F362 HydrophobicContact CB-CZ 3.84Å; F362-R366 HydrophobicContact CD1-CG 4.08Å; F362-R366 WeakPolarHBondContact CD1-O 3.21Å; F362-R366 HydrophobicContact CE1-CG 4.46Å; F362-K368 HydrophobicContact CB-CG 4.11Å; F362-K368 HydrophobicContact CD1-CG 3.81Å; F362-K368 HydrophobicContact CD2-CD 4.22Å; F362-K368 HydrophobicContact CD2-CG 3.75Å; F362-K368 HydrophobicContact CE1-CG 4.09Å; F362-K368 HydrophobicContact CE2-CG 4.03Å; F362-K368 HydrophobicContact CG-CD 4.37Å; F362-K368 HydrophobicContact CG-CG 3.63Å; F362-K368 HydrophobicContact CZ-CG 4.2Å; F362-I377 HydrophobicContact CE1-CG2 4.45Å; F362-I377 HydrophobicContact CE2-CB 4.49Å; F362-I377 HydrophobicContact CE2-CG2 3.71Å; F362-I377 HydrophobicContact CZ-CG2 3.56Å; F362-C379 HydrophobicContact CE1-CB 4.01Å |
| 363 | N | 86.3 | Confident | 89.5 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | trans | -146.8 | -179.1 | 178.9 | 66.9 | 23.8 | 0 | 0 | 0 | 109.4 | Q365 R366 | N363-Q365 PolarHBondContact O-N 3.11Å; N363-Q365 WeakPolarHBondContact OD1-CA 3.28Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.37Å; N363-Q365 PolarHBondContact OD1-N 2.95Å; N363-R366 PolarHBondContact N-O 2.79Å; N363-R366 CarbonylContact O-C 3.54Å; N363-R366 PolarHBondContact O-N 3.07Å; N363-R366 VanDerWaalsContact O-N 3.11Å; N363-R366 WeakPolarHBondContact OD1-CB 3.45Å; N363-R366 PolarHBondContact OD1-N 3.49Å | ||
| 364 | R | 84.7 | Confident | 89.3 | Confident | 255 Ų | 255 | 84.2 Ų | 84.2 | 96% | 0.962 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -56.9 | -26.2 | -179.1 | -72.3 | -174.8 | 176.7 | 173.3 | -0.5 | 114 | ||
| 365 | Q | 85.6 | Confident | 89.1 | Confident | 178 Ų | 178 | 82.1 Ų | 82.1 | 83% | 0.832 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -89.7 | -31.6 | 178.8 | -65.7 | 151.5 | -15.9 | 0 | 0 | 112.2 | N363 | N363-Q365 PolarHBondContact O-N 3.11Å; N363-Q365 WeakPolarHBondContact OD1-CA 3.28Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.37Å; N363-Q365 PolarHBondContact OD1-N 2.95Å |
| 366 | R | 88.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 32% | 0.317 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -100.5 | 90.2 | 179.6 | -165.6 | -176.6 | -62.9 | -81.9 | -1.4 | 109 | F362 N363 C379 | F362-R366 HydrophobicContact CD1-CG 4.08Å; F362-R366 WeakPolarHBondContact CD1-O 3.21Å; F362-R366 HydrophobicContact CE1-CG 4.46Å; N363-R366 PolarHBondContact N-O 2.79Å; N363-R366 CarbonylContact O-C 3.54Å; N363-R366 PolarHBondContact O-N 3.07Å; N363-R366 VanDerWaalsContact O-N 3.11Å; N363-R366 WeakPolarHBondContact OD1-CB 3.45Å; N363-R366 PolarHBondContact OD1-N 3.49Å; R366-C379 HydrophobicContact CG-CB 3.48Å; R366-C379 VanDerWaalsContact CG-CB 3.48Å |
| 367 | R | 87.9 | Confident | 89.1 | Confident | 196 Ų | 196 | 84 Ų | 84 | 74% | 0.74 | 38% | 0.382 | S | S | * | . | trans | -68.6 | 148.9 | -178.7 | -57.2 | -178.1 | 81.9 | 170 | 4.8 | 111.6 | ||||
| 368 | K | 91.9 | Very high | 89.3 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 26% | 0.261 | 37% | 0.365 | S | S | . | . | trans | -80.4 | 128 | 174.2 | -68.1 | 179.7 | -176.2 | -178.1 | 0 | 109 | E349 V352 F362 I377 | E349-K368 HydrophobicContact CB-CD 4.09Å; E349-K368 HydrophobicContact CG-CB 4.49Å; E349-K368 WeakPolarHBondContact O-CD 3.33Å; E349-K368 PolarHBondContact O-NZ 3.32Å; V352-K368 WeakPolarHBondContact O-CE 3.38Å; V352-K368 PolarHBondContact O-NZ 2.98Å; F362-K368 HydrophobicContact CB-CG 4.11Å; F362-K368 HydrophobicContact CD1-CG 3.81Å; F362-K368 HydrophobicContact CD2-CD 4.22Å; F362-K368 HydrophobicContact CD2-CG 3.75Å; F362-K368 HydrophobicContact CE1-CG 4.09Å; F362-K368 HydrophobicContact CE2-CG 4.03Å; F362-K368 HydrophobicContact CG-CD 4.37Å; F362-K368 HydrophobicContact CG-CG 3.63Å; F362-K368 HydrophobicContact CZ-CG 4.2Å; K368-I377 HydrophobicContact CB-CG2 3.57Å; K368-I377 HydrophobicContact CG-CG2 3.95Å | ||
| 369 | I | 91.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125 | -179.3 | -52.2 | 175.6 | 0 | 0 | 0 | 109.1 | I377 F378 E380 L383 | I369-I377 WeakPolarHBondContact O-CA 3.48Å; I369-F378 PolarHBondContact N-O 2.9Å; I369-F378 PolarHBondContact O-N 3.29Å; I369-E380 HydrophobicContact CD1-CB 3.9Å; I369-E380 HydrophobicContact CD1-CG 4.34Å; I369-L383 HydrophobicContact CB-CD1 4.26Å; I369-L383 HydrophobicContact CG2-CD1 4Å; I369-L383 HydrophobicContact CG2-CD2 4.13Å; I369-L383 VanDerWaalsContact O-CD1 3.31Å; I369-L383 WeakPolarHBondContact O-CD1 3.43Å |
| 370 | H | 92.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 79.8 Ų | 79.8 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 139.3 | 177.4 | -59.2 | 75.4 | 0 | 0 | 0 | 112.8 | W346 E347 E349 R372 G375 R376 I377 | W346-H370 AromaticContact CD1-CD2 3.94Å; W346-H370 AromaticContact CD1-NE2 3.84Å; W346-H370 AromaticContact CE2-CD2 3.36Å; W346-H370 AromaticContact CE2-CG 3.6Å; W346-H370 AromaticContact CE2-NE2 3.8Å; W346-H370 HydrophobicContact CH2-CB 3.43Å; W346-H370 VanDerWaalsContact CH2-CB 3.43Å; W346-H370 AromaticContact CH2-CG 3.92Å; W346-H370 HydrophobicContact CZ2-CB 3.32Å; W346-H370 AromaticContact CZ2-CD2 3.57Å; W346-H370 AromaticContact CZ2-CG 3.26Å; W346-H370 AromaticContact CZ2-ND1 3.79Å; W346-H370 HydrophobicContact CZ3-CB 4.28Å; W346-H370 AromaticContact NE1-CD2 3.33Å; W346-H370 PolarHBondContact NE1-CD2 2.97Å; W346-H370 VanDerWaalsContact NE1-CD2 3.33Å; W346-H370 AromaticContact NE1-CE1 3.75Å; W346-H370 AromaticContact NE1-CG 3.84Å; W346-H370 AromaticContact NE1-NE2 3.26Å; W346-H370 PolarHBondContact NE1-NE2 3.06Å; E347-H370 PolarHBondContact O-CD2 3.32Å; E347-H370 PolarHBondContact O-NE2 2.82Å; E349-H370 IonicContact OE1-CE1 3.68Å; H370-R372 PolarHBondContact O-N 2.8Å; H370-G375 PolarHBondContact CD2-O 2.67Å; H370-R376 CarbonylContact C-O 3.56Å; H370-R376 WeakPolarHBondContact CA-O 3.16Å; H370-I377 WeakPolarHBondContact NE2-CD1 3.25Å; H370-I377 WeakPolarHBondContact NE2-CG1 3.34Å |
| 371 | C | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -68 | 123.4 | 162.4 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | H373 C374 G375 R376 F378 L383 V398 C399 | C371-H373 PolarHBondContact O-N 3.32Å; C371-H373 VanDerWaalsContact O-N 3.13Å; C371-C374 VanDerWaalsContact CB-SG 3.57Å; C371-C374 PolarHBondContact SG-SG 2.99Å; C371-G375 WeakPolarHBondContact O-CA 3.37Å; C371-G375 PolarHBondContact O-N 3.47Å; C371-R376 PolarHBondContact N-O 2.97Å; C371-F378 HydrophobicContact CB-CD2 4Å; C371-F378 HydrophobicContact CB-CE2 3.66Å; C371-L383 HydrophobicContact CB-CD1 4.32Å; C371-V398 VanDerWaalsContact SG-CA 3.59Å; C371-C399 HydrophobicContact CB-CB 4.34Å; C371-C399 PolarHBondContact SG-N 3.41Å | ||
| 372 | R | 88.2 | Confident | 89.3 | Confident | 161 Ų | 161 | 75 Ų | 75 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -5.8 | -179 | -67.8 | -63.4 | -179.9 | -174.2 | -1.5 | 114.6 | H370 A396 K397 | H370-R372 PolarHBondContact O-N 2.8Å; R372-A396 HydrophobicContact CB-CB 3.85Å; R372-A396 HydrophobicContact CG-CB 4.23Å; R372-K397 WeakPolarHBondContact CB-O 3.48Å; R372-K397 PolarHBondContact N-O 2.85Å |
| 373 | H | 85.3 | Confident | 89.4 | Confident | 80 Ų | 80 | 74 Ų | 74 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -58.2 | 174.6 | -175.9 | -98 | 0 | 0 | 0 | 112.5 | C371 V398 C402 L406 | C371-H373 PolarHBondContact O-N 3.32Å; C371-H373 VanDerWaalsContact O-N 3.13Å; H373-V398 HydrophobicContact CB-CG1 3.88Å; H373-C402 HydrophobicContact CB-CB 3.91Å; H373-C402 PolarHBondContact ND1-SG 2.95Å; H373-L406 HydrophobicContact CB-CD1 3.89Å; H373-L406 VanDerWaalsContact CD2-CD1 3.43Å; H373-L406 WeakPolarHBondContact CD2-CD1 3.22Å |
| 374 | C | 86.9 | Confident | 89.6 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.9 | -174.7 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | C371 R376 C402 | C371-C374 VanDerWaalsContact CB-SG 3.57Å; C371-C374 PolarHBondContact SG-SG 2.99Å; C374-R376 PolarHBondContact O-N 2.81Å; C374-C402 VanDerWaalsContact SG-SG 3.62Å |
| 375 | G | 87.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | trans | 67.7 | 1.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E347 H370 C371 | E347-G375 PolarHBondContact N-O 2.96Å; H370-G375 PolarHBondContact CD2-O 2.67Å; C371-G375 WeakPolarHBondContact O-CA 3.37Å; C371-G375 PolarHBondContact O-N 3.47Å | ||
| 376 | R | 90 | Very high | 89.9 | Confident | 128 Ų | 128 | 59.6 Ų | 59.6 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | trans | -80.1 | 154.4 | 179.3 | -69.8 | 178.5 | -173 | 170.3 | 3.4 | 112.6 | E347 R356 H370 C371 C374 F378 | E347-R376 WeakPolarHBondContact OE2-CA 3.32Å; R356-R376 HydrophobicContact CB-CB 4.48Å; R356-R376 HydrophobicContact CG-CB 4.15Å; H370-R376 CarbonylContact C-O 3.56Å; H370-R376 WeakPolarHBondContact CA-O 3.16Å; C371-R376 PolarHBondContact N-O 2.97Å; C374-R376 PolarHBondContact O-N 2.81Å; R376-F378 HydrophobicContact CB-CE2 3.63Å; R376-F378 HydrophobicContact CB-CZ 4.11Å; R376-F378 VanDerWaalsContact O-CD2 3.25Å; R376-F378 WeakPolarHBondContact O-CD2 3.43Å; R376-F378 WeakPolarHBondContact O-CE2 3.42Å | ||
| 377 | I | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.9 | -175.5 | -55.9 | -176.7 | 0 | 0 | 0 | 112.6 | E347 E349 V352 R356 F362 K368 I369 H370 | E347-I377 HydrophobicContact CB-CD1 4.12Å; E347-I377 HydrophobicContact CB-CG1 3.92Å; E347-I377 PolarHBondContact OE2-N 3.48Å; E349-I377 HydrophobicContact CB-CD1 4.39Å; E349-I377 HydrophobicContact CG-CD1 4.09Å; V352-I377 HydrophobicContact CB-CB 4.25Å; V352-I377 HydrophobicContact CB-CD1 3.97Å; V352-I377 HydrophobicContact CB-CG1 4.5Å; V352-I377 HydrophobicContact CG1-CB 4.11Å; V352-I377 HydrophobicContact CG2-CB 4.23Å; V352-I377 HydrophobicContact CG2-CD1 3.67Å; V352-I377 HydrophobicContact CG2-CG1 4.1Å; R356-I377 WeakPolarHBondContact CB-O 3.35Å; R356-I377 VanDerWaalsContact CG-O 3.22Å; R356-I377 WeakPolarHBondContact CG-O 3.31Å; R356-I377 PolarHBondContact N-O 3.49Å; F362-I377 HydrophobicContact CE1-CG2 4.45Å; F362-I377 HydrophobicContact CE2-CB 4.49Å; F362-I377 HydrophobicContact CE2-CG2 3.71Å; F362-I377 HydrophobicContact CZ-CG2 3.56Å; K368-I377 HydrophobicContact CB-CG2 3.57Å; K368-I377 HydrophobicContact CG-CG2 3.95Å; I369-I377 WeakPolarHBondContact O-CA 3.48Å; H370-I377 WeakPolarHBondContact NE2-CD1 3.25Å; H370-I377 WeakPolarHBondContact NE2-CG1 3.34Å |
| 378 | F | 93.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 165.3 | 178.7 | -57 | -102.8 | 0 | 0 | 0 | 110.8 | R356 G357 I369 C371 R376 C382 L383 C399 | R356-F378 HydrophobicContact CB-CD1 4.15Å; R356-F378 HydrophobicContact CB-CE1 3.74Å; R356-F378 HydrophobicContact CB-CE2 4.31Å; R356-F378 HydrophobicContact CB-CZ 3.82Å; G357-F378 VanDerWaalsContact N-CD1 3.26Å; G357-F378 VanDerWaalsContact N-CE1 3.34Å; I369-F378 PolarHBondContact N-O 2.9Å; I369-F378 PolarHBondContact O-N 3.29Å; C371-F378 HydrophobicContact CB-CD2 4Å; C371-F378 HydrophobicContact CB-CE2 3.66Å; R376-F378 HydrophobicContact CB-CE2 3.63Å; R376-F378 HydrophobicContact CB-CZ 4.11Å; R376-F378 VanDerWaalsContact O-CD2 3.25Å; R376-F378 WeakPolarHBondContact O-CD2 3.43Å; R376-F378 WeakPolarHBondContact O-CE2 3.42Å; F378-C382 HydrophobicContact CB-CB 4.08Å; F378-C382 HydrophobicContact CD1-CB 4.07Å; F378-L383 HydrophobicContact CB-CB 4.1Å; F378-L383 HydrophobicContact CB-CD1 3.63Å; F378-L383 HydrophobicContact CB-CG 4.32Å; F378-L383 HydrophobicContact CD2-CD1 3.71Å; F378-L383 HydrophobicContact CG-CD1 3.97Å; F378-C399 HydrophobicContact CD1-CB 3.96Å; F378-C399 HydrophobicContact CD2-CB 4.04Å; F378-C399 HydrophobicContact CE1-CB 3.45Å; F378-C399 VanDerWaalsContact CE1-CB 3.45Å; F378-C399 HydrophobicContact CE2-CB 3.54Å; F378-C399 HydrophobicContact CG-CB 4.26Å; F378-C399 HydrophobicContact CZ-CB 3.23Å |
| 379 | C | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | trans | -83.9 | 163.3 | 166.8 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | C355 F362 R366 A381 C382 L383 | C355-C379 HydrophobicContact CB-CB 4.15Å; C355-C379 PolarHBondContact SG-N 3.26Å; F362-C379 HydrophobicContact CE1-CB 4.01Å; R366-C379 HydrophobicContact CG-CB 3.48Å; R366-C379 VanDerWaalsContact CG-CB 3.48Å; C379-A381 PolarHBondContact O-N 3.21Å; C379-C382 PolarHBondContact O-N 3.05Å; C379-L383 PolarHBondContact O-N 3.4Å; C379-L383 VanDerWaalsContact O-N 3.14Å | ||
| 380 | E | 90.7 | Very high | 88.7 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -55 | -37.1 | -179.1 | -171.5 | 159.9 | -147.2 | 0 | 0 | 113.8 | I369 C382 L383 | I369-E380 HydrophobicContact CD1-CB 3.9Å; I369-E380 HydrophobicContact CD1-CG 4.34Å; E380-C382 VanDerWaalsContact C-N 3.33Å; E380-C382 PolarHBondContact O-N 2.98Å; E380-L383 CarbonylContact O-C 3.5Å; E380-L383 PolarHBondContact O-N 3.42Å |
| 381 | A | 89.2 | Confident | 88 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -66 | -32 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C379 | C379-A381 PolarHBondContact O-N 3.21Š|
| 382 | C | 91.3 | Very high | 87.5 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -89.6 | -6.1 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | C355 C358 F378 C379 E380 | C355-C382 VanDerWaalsContact SG-SG 3.64Å; C358-C382 VanDerWaalsContact CB-SG 3.52Å; C358-C382 PolarHBondContact N-SG 2.95Å; F378-C382 HydrophobicContact CB-CB 4.08Å; F378-C382 HydrophobicContact CD1-CB 4.07Å; C379-C382 PolarHBondContact O-N 3.05Å; E380-C382 VanDerWaalsContact C-N 3.33Å; E380-C382 PolarHBondContact O-N 2.98Å |
| 383 | L | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -124.7 | 52 | -175.6 | -141 | 151.8 | 0 | 0 | 0 | 109.3 | I369 C371 F378 C379 E380 K397 | I369-L383 HydrophobicContact CB-CD1 4.26Å; I369-L383 HydrophobicContact CG2-CD1 4Å; I369-L383 HydrophobicContact CG2-CD2 4.13Å; I369-L383 VanDerWaalsContact O-CD1 3.31Å; I369-L383 WeakPolarHBondContact O-CD1 3.43Å; C371-L383 HydrophobicContact CB-CD1 4.32Å; F378-L383 HydrophobicContact CB-CB 4.1Å; F378-L383 HydrophobicContact CB-CD1 3.63Å; F378-L383 HydrophobicContact CB-CG 4.32Å; F378-L383 HydrophobicContact CD2-CD1 3.71Å; F378-L383 HydrophobicContact CG-CD1 3.97Å; C379-L383 PolarHBondContact O-N 3.4Å; C379-L383 VanDerWaalsContact O-N 3.14Å; E380-L383 CarbonylContact O-C 3.5Å; E380-L383 PolarHBondContact O-N 3.42Å; L383-K397 VanDerWaalsContact CD2-C 3.45Å; L383-K397 HydrophobicContact CD2-CB 3.28Å; L383-K397 HydrophobicContact CD2-CD 3.79Å; L383-K397 HydrophobicContact CD2-CG 3.71Å; L383-K397 WeakPolarHBondContact O-CD 3.49Å; L383-K397 PolarHBondContact O-NZ 3.46Å | ||
| 384 | N | 89.7 | Confident | 87.2 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | trans | -99.7 | -7.7 | -176.1 | 64.8 | -12 | 0 | 0 | 0 | 113.4 | ||||
| 385 | K | 88.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 22% | 0.222 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 146.5 | 176.3 | -50.6 | -171.2 | -170.7 | 176 | 0 | 110.3 | V398 E400 H403 | K385-V398 PolarHBondContact O-N 3.46Å; K385-E400 IonicContact NZ-OE1 2.81Å; K385-E400 PolarHBondContact NZ-OE1 3.37Å; K385-H403 HydrophobicContact CB-CB 4.03Å; K385-H403 VanDerWaalsContact CB-CD2 3.44Å; K385-H403 WeakPolarHBondContact CB-CD2 3.07Å; K385-H403 HydrophobicContact CD-CB 3.69Å; K385-H403 VanDerWaalsContact CD-CG 3.43Å; K385-H403 HydrophobicContact CG-CB 4.46Å |
| 386 | S | 88.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.4 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | A396 | S386-A396 CarbonylContact C-O 3.6Å; S386-A396 VanDerWaalsContact CA-O 3.28Å; S386-A396 WeakPolarHBondContact CA-O 3.03Å |
| 387 | V | 87.5 | Confident | 87.4 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | S389 A396 V398 L406 V407 | V387-S389 PolarHBondContact O-N 3.32Å; V387-A396 PolarHBondContact N-O 2.96Å; V387-A396 PolarHBondContact O-N 2.96Å; V387-V398 HydrophobicContact CB-CG2 4.35Å; V387-V398 HydrophobicContact CG1-CG2 3.68Å; V387-V398 HydrophobicContact CG2-CB 4.38Å; V387-V398 HydrophobicContact CG2-CG1 3.57Å; V387-V398 HydrophobicContact CG2-CG2 3.88Å; V387-L406 HydrophobicContact CG1-CB 4.12Å; V387-L406 HydrophobicContact CG1-CD1 4.39Å; V387-L406 HydrophobicContact CG2-CD1 3.83Å; V387-V407 HydrophobicContact CG1-CG2 3.68Å |
| 388 | P | 86.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 60% | 0.597 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.4 | 173.7 | 23.1 | -29.9 | 0 | 0 | 0 | 110.8 | S393 | P388-S393 WeakPolarHBondContact CB-OG 3.4Å |
| 389 | S | 82.9 | Confident | 87.2 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.8 | -177.5 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | V387 R394 A396 | V387-S389 PolarHBondContact O-N 3.32Å; S389-R394 PolarHBondContact N-O 3.21Å; S389-R394 PolarHBondContact O-N 3.37Å; S389-A396 VanDerWaalsContact CB-CB 3.4Å |
| 390 | G | 77.6 | Confident | 87 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 67% | 0.67 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 176.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | H392 S393 | G390-H392 PolarHBondContact O-N 3.05Å; G390-H392 VanDerWaalsContact O-N 3.16Å; G390-S393 PolarHBondContact O-N 2.8Å; G390-S393 VanDerWaalsContact O-N 3.13Å |
| 391 | S | 77.4 | Confident | 86.7 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.6 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 392 | H | 80.5 | Confident | 86.5 | Confident | 144 Ų | 144 | 67.7 Ų | 67.7 | 67% | 0.667 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 12.8 | -178.7 | -61.6 | -68.5 | 0 | 0 | 0 | 113.8 | G390 R394 | G390-H392 PolarHBondContact O-N 3.05Å; G390-H392 VanDerWaalsContact O-N 3.16Å; H392-R394 HydrophobicContact CB-CG 4.17Å; H392-R394 PolarHBondContact O-N 2.88Å |
| 393 | S | 82.5 | Confident | 86.3 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.9 | 178.2 | -159.4 | 0 | 0 | 0 | 0 | 113.2 | P388 G390 | P388-S393 WeakPolarHBondContact CB-OG 3.4Å; G390-S393 PolarHBondContact O-N 2.8Å; G390-S393 VanDerWaalsContact O-N 3.13Å |
| 394 | R | 83.8 | Confident | 85.9 | Confident | 177 Ų | 177 | 70.6 Ų | 70.6 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.8 | -177.2 | -67.8 | -177.2 | -180 | -129.9 | 1.8 | 109.3 | S389 H392 A396 | S389-R394 PolarHBondContact N-O 3.21Å; S389-R394 PolarHBondContact O-N 3.37Å; H392-R394 HydrophobicContact CB-CG 4.17Å; H392-R394 PolarHBondContact O-N 2.88Å; R394-A396 PolarHBondContact O-N 2.61Å |
| 395 | P | 88.1 | Confident | 85.5 | Confident | 110 Ų | 110 | 70.5 Ų | 70.5 | 71% | 0.714 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 110.8 | 179.5 | 24.8 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 396 | A | 89.5 | Confident | 85.1 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | R372 S386 V387 S389 R394 V398 | R372-A396 HydrophobicContact CB-CB 3.85Å; R372-A396 HydrophobicContact CG-CB 4.23Å; S386-A396 CarbonylContact C-O 3.6Å; S386-A396 VanDerWaalsContact CA-O 3.28Å; S386-A396 WeakPolarHBondContact CA-O 3.03Å; V387-A396 PolarHBondContact N-O 2.96Å; V387-A396 PolarHBondContact O-N 2.96Å; S389-A396 VanDerWaalsContact CB-CB 3.4Å; R394-A396 PolarHBondContact O-N 2.61Å; A396-V398 PolarHBondContact O-N 2.76Å |
| 397 | K | 92 | Very high | 84.7 | Confident | 79 Ų | 79 | 71 Ų | 71 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 125.3 | -178.6 | -112.3 | -166.1 | -170.1 | -155.2 | 0 | 110 | R372 L383 | R372-K397 WeakPolarHBondContact CB-O 3.48Å; R372-K397 PolarHBondContact N-O 2.85Å; L383-K397 VanDerWaalsContact CD2-C 3.45Å; L383-K397 HydrophobicContact CD2-CB 3.28Å; L383-K397 HydrophobicContact CD2-CD 3.79Å; L383-K397 HydrophobicContact CD2-CG 3.71Å; L383-K397 WeakPolarHBondContact O-CD 3.49Å; L383-K397 PolarHBondContact O-NZ 3.46Å |
| 398 | V | 91.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.006 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.1 | -175.5 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | C371 H373 K385 V387 A396 C402 H403 L406 | C371-V398 VanDerWaalsContact SG-CA 3.59Å; H373-V398 HydrophobicContact CB-CG1 3.88Å; K385-V398 PolarHBondContact O-N 3.46Å; V387-V398 HydrophobicContact CB-CG2 4.35Å; V387-V398 HydrophobicContact CG1-CG2 3.68Å; V387-V398 HydrophobicContact CG2-CB 4.38Å; V387-V398 HydrophobicContact CG2-CG1 3.57Å; V387-V398 HydrophobicContact CG2-CG2 3.88Å; A396-V398 PolarHBondContact O-N 2.76Å; V398-C402 HydrophobicContact CB-CB 4.11Å; V398-H403 HydrophobicContact CG2-CB 4.09Å; V398-L406 HydrophobicContact CG1-CD1 4.37Å |
| 399 | C | 90.1 | Very high | 83.1 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | trans | -73.7 | 164.7 | 173.8 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | C371 F378 V401 C402 H403 | C371-C399 HydrophobicContact CB-CB 4.34Å; C371-C399 PolarHBondContact SG-N 3.41Å; F378-C399 HydrophobicContact CD1-CB 3.96Å; F378-C399 HydrophobicContact CD2-CB 4.04Å; F378-C399 HydrophobicContact CE1-CB 3.45Å; F378-C399 VanDerWaalsContact CE1-CB 3.45Å; F378-C399 HydrophobicContact CE2-CB 3.54Å; F378-C399 HydrophobicContact CG-CB 4.26Å; F378-C399 HydrophobicContact CZ-CB 3.23Å; C399-V401 VanDerWaalsContact C-N 3.33Å; C399-V401 PolarHBondContact O-N 3.42Å; C399-C402 PolarHBondContact O-N 2.81Å; C399-C402 PolarHBondContact SG-SG 3.33Å; C399-H403 PolarHBondContact O-N 2.82Å | ||
| 400 | E | 86.7 | Confident | 82.2 | Confident | 120 Ų | 120 | 84 Ų | 84 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -55 | -44 | -179.4 | 175.4 | 152.6 | -124.4 | 0 | 0 | 113.8 | K385 H403 T404 | K385-E400 IonicContact NZ-OE1 2.81Å; K385-E400 PolarHBondContact NZ-OE1 3.37Å; E400-H403 WeakPolarHBondContact O-CB 3.49Å; E400-H403 PolarHBondContact O-N 3.36Å; E400-T404 PolarHBondContact O-N 3.49Å; E400-T404 PolarHBondContact O-OG1 3.45Å; E400-T404 VanDerWaalsContact O-OG1 3.1Å |
| 401 | V | 84.7 | Confident | 81.3 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 61% | 0.606 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61 | -48.8 | 178 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | C399 H403 T404 L405 | C399-V401 VanDerWaalsContact C-N 3.33Å; C399-V401 PolarHBondContact O-N 3.42Å; V401-H403 VanDerWaalsContact C-N 3.31Å; V401-H403 PolarHBondContact O-N 3.33Å; V401-T404 PolarHBondContact O-N 3.29Å; V401-L405 HydrophobicContact CG1-CD1 4.05Å; V401-L405 WeakPolarHBondContact O-CG 3.49Å; V401-L405 PolarHBondContact O-N 3.48Å |
| 402 | C | 86 | Confident | 80.4 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 178.8 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | H373 C374 V398 C399 L405 L406 | H373-C402 HydrophobicContact CB-CB 3.91Å; H373-C402 PolarHBondContact ND1-SG 2.95Å; C374-C402 VanDerWaalsContact SG-SG 3.62Å; V398-C402 HydrophobicContact CB-CB 4.11Å; C399-C402 PolarHBondContact O-N 2.81Å; C399-C402 PolarHBondContact SG-SG 3.33Å; C402-L405 PolarHBondContact O-N 2.93Å; C402-L406 HydrophobicContact CB-CD1 4.36Å; C402-L406 WeakPolarHBondContact O-CB 3.49Å; C402-L406 WeakPolarHBondContact O-CD1 3.49Å; C402-L406 WeakPolarHBondContact O-CG 3.22Å; C402-L406 PolarHBondContact O-N 2.99Å |
| 403 | H | 86.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 85.3 Ų | 85.3 | 17% | 0.167 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 172.1 | -177.5 | -82.5 | 0 | 0 | 0 | 111.1 | K385 V398 C399 E400 V401 L405 L406 V407 | K385-H403 HydrophobicContact CB-CB 4.03Å; K385-H403 VanDerWaalsContact CB-CD2 3.44Å; K385-H403 WeakPolarHBondContact CB-CD2 3.07Å; K385-H403 HydrophobicContact CD-CB 3.69Å; K385-H403 VanDerWaalsContact CD-CG 3.43Å; K385-H403 HydrophobicContact CG-CB 4.46Å; V398-H403 HydrophobicContact CG2-CB 4.09Å; C399-H403 PolarHBondContact O-N 2.82Å; E400-H403 WeakPolarHBondContact O-CB 3.49Å; E400-H403 PolarHBondContact O-N 3.36Å; V401-H403 VanDerWaalsContact C-N 3.31Å; V401-H403 PolarHBondContact O-N 3.33Å; H403-L405 VanDerWaalsContact C-N 3.25Å; H403-L405 PolarHBondContact O-N 3.13Å; H403-L406 PolarHBondContact O-N 3.13Å; H403-V407 WeakPolarHBondContact O-CB 3.37Å; H403-V407 PolarHBondContact O-N 3.16Å |
| 404 | T | 83.7 | Confident | 77.9 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -33 | 176.8 | -53 | 0 | 0 | 0 | 0 | 112.1 | E400 V401 | E400-T404 PolarHBondContact O-N 3.49Å; E400-T404 PolarHBondContact O-OG1 3.45Å; E400-T404 VanDerWaalsContact O-OG1 3.1Å; V401-T404 PolarHBondContact O-N 3.29Å |
| 405 | L | 80.2 | Confident | 76.7 | Confident | 107 Ų | 107 | 86.3 Ų | 86.3 | 56% | 0.56 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.1 | -34.3 | 176 | -68.6 | 170.9 | 0 | 0 | 0 | 113.6 | V401 C402 H403 | V401-L405 HydrophobicContact CG1-CD1 4.05Å; V401-L405 WeakPolarHBondContact O-CG 3.49Å; V401-L405 PolarHBondContact O-N 3.48Å; C402-L405 PolarHBondContact O-N 2.93Å; H403-L405 VanDerWaalsContact C-N 3.25Å; H403-L405 PolarHBondContact O-N 3.13Å |
| 406 | L | 81 | Confident | 74.9 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 40% | 0.398 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -95.7 | -25.2 | -172.5 | -68.4 | 168.9 | 0 | 0 | 0 | 114 | H373 V387 V398 C402 H403 | H373-L406 HydrophobicContact CB-CD1 3.89Å; H373-L406 VanDerWaalsContact CD2-CD1 3.43Å; H373-L406 WeakPolarHBondContact CD2-CD1 3.22Å; V387-L406 HydrophobicContact CG1-CB 4.12Å; V387-L406 HydrophobicContact CG1-CD1 4.39Å; V387-L406 HydrophobicContact CG2-CD1 3.83Å; V398-L406 HydrophobicContact CG1-CD1 4.37Å; C402-L406 HydrophobicContact CB-CD1 4.36Å; C402-L406 WeakPolarHBondContact O-CB 3.49Å; C402-L406 WeakPolarHBondContact O-CD1 3.49Å; C402-L406 WeakPolarHBondContact O-CG 3.22Å; C402-L406 PolarHBondContact O-N 2.99Å; H403-L406 PolarHBondContact O-N 3.13Å |
| 407 | V | 80 | Confident | 73.2 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 26% | 0.255 | 48% | 0.484 | S | S | . | . | trans | -99.8 | 107.4 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V387 H403 D409 T410 | V387-V407 HydrophobicContact CG1-CG2 3.68Å; H403-V407 WeakPolarHBondContact O-CB 3.37Å; H403-V407 PolarHBondContact O-N 3.16Å; V407-D409 PolarHBondContact O-N 3.47Å; V407-D409 VanDerWaalsContact O-N 3.09Å; V407-T410 VanDerWaalsContact CB-OG1 3.26Å; V407-T410 WeakPolarHBondContact CB-OG1 3.38Å; V407-T410 WeakPolarHBondContact CG1-OG1 3.33Å; V407-T410 PolarHBondContact O-N 3.18Å; V407-T410 VanDerWaalsContact O-N 3.09Å; V407-T410 PolarHBondContact O-OG1 3.12Å | ||
| 408 | R | 70.9 | Confident | 71.4 | Confident | 245 Ų | 245 | 96.2 Ų | 96.2 | 93% | 0.925 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.7 | -175.3 | -67.1 | -175.5 | 178.2 | -167.8 | -1.1 | 114.2 | ||
| 409 | D | 69.5 | Low | 69.5 | Low | 154 Ų | 154 | 100.4 Ų | 100.4 | 82% | 0.824 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.8 | -175.4 | -54 | -32.9 | 0 | 0 | 0 | 113.3 | V407 A411 | V407-D409 PolarHBondContact O-N 3.47Å; V407-D409 VanDerWaalsContact O-N 3.09Å; D409-A411 PolarHBondContact O-N 3.39Å |
| 410 | T | 63.5 | Low | 67.9 | Low | 38 Ų | 38 | 108.1 Ų | 108.1 | 23% | 0.233 | 56% | 0.561 | C | S | . | * | trans | -85.9 | 100.2 | 174.7 | -22.2 | 0 | 0 | 0 | 0 | 109.2 | V407 | V407-T410 VanDerWaalsContact CB-OG1 3.26Å; V407-T410 WeakPolarHBondContact CB-OG1 3.38Å; V407-T410 WeakPolarHBondContact CG1-OG1 3.33Å; V407-T410 PolarHBondContact O-N 3.18Å; V407-T410 VanDerWaalsContact O-N 3.09Å; V407-T410 PolarHBondContact O-OG1 3.12Å | ||
| 411 | A | 57.9 | Low | 66.7 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | trans | -59.1 | 129.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | D409 | D409-A411 PolarHBondContact O-N 3.39Š| ||
| 412 | P | 58.8 | Low | 65.2 | Low | 74 Ų | 74 | 110.1 Ų | 110.1 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | trans | -58.4 | 150.2 | 168.6 | -18 | 29.4 | 0 | 0 | 0 | 110.1 | F414 S415 | P412-F414 PolarHBondContact O-N 2.73Å; P412-S415 WeakPolarHBondContact O-CB 3.32Å; P412-S415 PolarHBondContact O-N 3.44Å | ||
| 413 | Y | 55.2 | Low | 63.8 | Low | 208 Ų | 208 | 116.9 Ų | 116.9 | 82% | 0.816 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -50.1 | -23.5 | -179.3 | -177.7 | -102 | 0 | 0 | 0 | 114.7 | ||
| 414 | F | 56.9 | Low | 61.8 | Low | 192 Ų | 192 | 122.5 Ų | 122.5 | 84% | 0.842 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -86.2 | 1.3 | 179.3 | -69.6 | -80 | 0 | 0 | 0 | 115.4 | P412 | P412-F414 PolarHBondContact O-N 2.73Š|
| 415 | S | 57 | Low | 59.9 | Low | 84 Ų | 84 | 123.6 Ų | 123.6 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -97.3 | 9.4 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | P412 | P412-S415 WeakPolarHBondContact O-CB 3.32Å; P412-S415 PolarHBondContact O-N 3.44Å |
| 416 | V | 51.9 | Low | 57.9 | Low | 119 Ų | 119 | 128 Ų | 128 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -96.9 | 129.1 | 173 | -163.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 417 | E | 52.7 | Low | 56.7 | Low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | trans | -28.6 | 137.3 | -170.4 | -65.3 | 168 | 171.1 | 0 | 0 | 117.2 | ||||
| 418 | V | 54.2 | Low | 55.5 | Low | 107 Ų | 107 | 135.2 Ų | 135.2 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | -58.9 | 129.4 | 175.7 | -177 | 0 | 0 | 0 | 0 | 109.7 | Q420 | V418-Q420 PolarHBondContact O-N 3.05Š| ||
| 419 | P | 51.6 | Low | 54.6 | Low | 89 Ų | 89 | 129.1 Ų | 129.1 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | trans | -55 | 127.8 | 175.7 | -24.6 | 33.2 | 0 | 0 | 0 | 111.6 | S421 Q422 | P419-S421 PolarHBondContact O-N 2.79Å; P419-Q422 PolarHBondContact O-N 3.06Å | ||
| 420 | Q | 57.1 | Low | 53.7 | Low | 169 Ų | 169 | 127.6 Ų | 127.6 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -54.1 | -14.3 | -177.4 | -74.4 | 175 | -22.1 | 0 | 0 | 114.8 | V418 Q422 L423 | V418-Q420 PolarHBondContact O-N 3.05Å; Q420-Q422 PolarHBondContact O-N 2.74Å; Q420-Q422 VanDerWaalsContact O-N 3.1Å; Q420-L423 PolarHBondContact O-N 3.26Å |
| 421 | S | 60.8 | Low | 53.1 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -67.6 | -3.1 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 115.4 | P419 | P419-S421 PolarHBondContact O-N 2.79Š|
| 422 | Q | 54.1 | Low | 52.8 | Low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -106.5 | 3.1 | 178.4 | -65.3 | -157.2 | -42.4 | 0 | 0 | 114.8 | P419 Q420 | P419-Q422 PolarHBondContact O-N 3.06Å; Q420-Q422 PolarHBondContact O-N 2.74Å; Q420-Q422 VanDerWaalsContact O-N 3.1Å |
| 423 | L | 56 | Low | 52.4 | Low | 147 Ų | 147 | 142 Ų | 142 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -101.8 | -10.9 | 179.5 | -71.2 | 169.1 | 0 | 0 | 0 | 114.4 | Q420 | Q420-L423 PolarHBondContact O-N 3.26Š|
| 424 | D | 45.5 | Very low | 52.2 | Low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -108.4 | 85.8 | -179.7 | -66.7 | -22.7 | 0 | 0 | 0 | 110.8 | ||||
| 425 | G | 43 | Very low | 51.8 | Low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -155.4 | 57 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 426 | S | 37.4 | Very low | 51.3 | Low | 198 Ų | 198 | 136.7 Ų | 136.7 | 100% | 1.385 | 80% | 0.802 | S | S | * | * | trans | -95.9 | 0 | 162.3 | -62.1 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 426 of 426 residues in 343.5 ms
(Link to these results)