| 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 | 41 | Very low | 41.9 | Very low | 239 Ų | 239 | 140.5 Ų | 140.5 | 100% | 1.177 | 83% | 0.832 | S | S | * | * | 0 | 102.8 | 0 | -71.6 | -70.6 | -162 | 0 | 0 | 107.9 | |||||
| 2 | C | 37.9 | Very low | 41.9 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | trans | 167.6 | 100.2 | 152.4 | -89.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | Q | 35.7 | Very low | 41.8 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -81.3 | 141.3 | -179.5 | -82.1 | 174.4 | -4.7 | 0 | 0 | 111.8 | ||||
| 4 | V | 43 | Very low | 41.5 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | 57.7 | 115 | 123.8 | -173.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 5 | A | 39.7 | Very low | 41.5 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -151.5 | 98.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 6 | L | 40.3 | Very low | 41.2 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | 54.4 | 102.4 | 102.5 | -64.7 | 166.5 | 0 | 0 | 0 | 110.7 | |||||
| 7 | G | 42.7 | Very low | 41 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 71.8 | 63.6 | 46.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | L | 41.3 | Very low | 40.7 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -119.6 | 122.5 | 170 | -87.1 | 167.4 | 0 | 0 | 0 | 109.9 | ||||
| 9 | P | 44.3 | Very low | 40.4 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78 | 138.8 | 174.3 | 32 | -30.9 | 0 | 0 | 0 | 109.9 | ||
| 10 | L | 45.6 | Very low | 40.4 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55 | 132.4 | 167.7 | -76.1 | 153.5 | 0 | 0 | 0 | 109.6 | ||
| 11 | P | 49.4 | Very low | 40.4 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.7 | 177.7 | 27.9 | -32.8 | 0 | 0 | 0 | 110.7 | V13 | P11-V13 PolarHBondContact O-N 3.44Š|
| 12 | P | 41.7 | Very low | 40.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127.8 | 178.4 | 28 | -32.6 | 0 | 0 | 0 | 110 | V14 | P12-V14 PolarHBondContact O-N 2.93Š|
| 13 | V | 40.6 | Very low | 41 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 97.6 | 168.8 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | P11 V15 | P11-V13 PolarHBondContact O-N 3.44Å; V13-V15 HydrophobicContact CG1-CG2 4.1Å; V13-V15 PolarHBondContact O-N 3.05Å; V13-V15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | V | 37.4 | Very low | 41.4 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 97.4 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | P12 Q16 | P12-V14 PolarHBondContact O-N 2.93Å; V14-Q16 HydrophobicContact CG1-CG 4.33Å; V14-Q16 PolarHBondContact O-N 3.33Å; V14-Q16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | V | 42 | Very low | 41.2 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 98.2 | 167.4 | -179 | 0 | 0 | 0 | 0 | 107.2 | V13 | V13-V15 HydrophobicContact CG1-CG2 4.1Å; V13-V15 PolarHBondContact O-N 3.05Å; V13-V15 VanDerWaalsContact O-N 3.1Å | ||
| 16 | Q | 36.1 | Very low | 41.2 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -66.2 | 129 | 168.5 | -68.6 | -176.5 | 8.5 | 0 | 0 | 108.8 | V14 A18 | V14-Q16 HydrophobicContact CG1-CG 4.33Å; V14-Q16 PolarHBondContact O-N 3.33Å; V14-Q16 VanDerWaalsContact O-N 3.08Å; Q16-A18 PolarHBondContact O-N 2.74Å | ||
| 17 | P | 38.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 119.5 | 171.8 | 27.1 | -30.6 | 0 | 0 | 0 | 108.6 | R19 | P17-R19 PolarHBondContact O-N 3.43Š| ||
| 18 | A | 35.2 | Very low | 41.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -54 | 109 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q16 R20 | Q16-A18 PolarHBondContact O-N 2.74Å; A18-R20 VanDerWaalsContact C-N 3.35Å; A18-R20 PolarHBondContact O-N 2.84Å | ||
| 19 | R | 35.8 | Very low | 40.8 | Very low | 247 Ų | 247 | 135.3 Ų | 135.3 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -64 | 96.6 | 171.1 | -73 | -175.6 | 174.3 | -175 | -1.3 | 108 | P17 S21 | P17-R19 PolarHBondContact O-N 3.43Å; R19-S21 PolarHBondContact O-N 2.74Å | ||
| 20 | R | 39.5 | Very low | 40.5 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -64.7 | 112.4 | 165 | -78 | -178.4 | 172.3 | 172.9 | -2.1 | 107.7 | A18 L22 | A18-R20 VanDerWaalsContact C-N 3.35Å; A18-R20 PolarHBondContact O-N 2.84Å; R20-L22 PolarHBondContact O-N 3.43Å | ||
| 21 | S | 40.7 | Very low | 40 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 120.4 | 169.5 | 46.2 | 0 | 0 | 0 | 0 | 110 | R19 | R19-S21 PolarHBondContact O-N 2.74Š|
| 22 | L | 44 | Very low | 39.8 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.2 | 168.3 | -74.9 | 156.7 | 0 | 0 | 0 | 109.5 | R20 | R20-L22 PolarHBondContact O-N 3.43Š|
| 23 | P | 48.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 150.7 | 170.6 | 29.4 | -32.1 | 0 | 0 | 0 | 110.3 | I25 | P23-I25 PolarHBondContact O-N 2.85Š|
| 24 | P | 42.5 | Very low | 39.8 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 136.3 | -176.7 | 28.2 | -33 | 0 | 0 | 0 | 110.6 | V26 | P24-V26 PolarHBondContact O-N 3.38Š|
| 25 | I | 39.4 | Very low | 39.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -63.2 | 103.4 | 170.7 | -63.9 | 167 | 0 | 0 | 0 | 107.4 | P23 T27 | P23-I25 PolarHBondContact O-N 2.85Å; I25-T27 PolarHBondContact O-N 2.83Å; I25-T27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | V | 39 | Very low | 40.1 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -73.2 | 103.9 | 170 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | P24 | P24-V26 PolarHBondContact O-N 3.38Š| ||
| 27 | T | 39.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.1 | 165.9 | -3.5 | 0 | 0 | 0 | 0 | 107.8 | I25 A29 | I25-T27 PolarHBondContact O-N 2.83Å; I25-T27 VanDerWaalsContact O-N 3.16Å; T27-A29 PolarHBondContact O-N 2.8Å |
| 28 | P | 43 | Very low | 40.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.2 | 173.5 | 26.9 | -29.1 | 0 | 0 | 0 | 108.9 | S30 | P28-S30 PolarHBondContact O-N 3.28Š|
| 29 | A | 33.8 | Very low | 41.1 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 131.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T27 R31 | T27-A29 PolarHBondContact O-N 2.8Å; A29-R31 PolarHBondContact O-N 3.19Å; A29-R31 VanDerWaalsContact O-N 3.07Å |
| 30 | S | 37.1 | Very low | 41.8 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -55.3 | 111.3 | 174 | -53 | 0 | 0 | 0 | 0 | 110.6 | P28 R32 | P28-S30 PolarHBondContact O-N 3.28Å; S30-R32 PolarHBondContact O-N 3.48Å | ||
| 31 | R | 36.6 | Very low | 42.3 | Very low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 99.5 | 172.1 | -146.5 | -178.7 | -142.8 | -175.5 | 5.4 | 108 | A29 L33 | A29-R31 PolarHBondContact O-N 3.19Å; A29-R31 VanDerWaalsContact O-N 3.07Å; R31-L33 PolarHBondContact O-N 2.74Å; R31-L33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | R | 45.5 | Very low | 42.8 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 110.6 | 164.2 | -75 | -177 | -172.9 | -131.3 | 1.4 | 107.8 | S30 | S30-R32 PolarHBondContact O-N 3.48Š| ||
| 33 | L | 42.9 | Very low | 43.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 127.1 | 162.2 | -109.1 | 99.8 | 0 | 0 | 0 | 108.9 | R31 | R31-L33 PolarHBondContact O-N 2.74Å; R31-L33 VanDerWaalsContact O-N 3.16Å |
| 34 | G | 37.4 | Very low | 43.8 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 35 | S | 40.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 122.4 | 168.8 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 36 | L | 45.5 | Very low | 46.4 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 93% | 0.927 | 75% | 0.753 | S | S | * | * | trans | -120.1 | 111.5 | 161.3 | -108.9 | 129.6 | 0 | 0 | 0 | 108.5 | ||||
| 37 | G | 42.4 | Very low | 48 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | -73.7 | 160.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | G | 47.1 | Very low | 49.8 | Very low | 74 Ų | 74 | 126.8 Ų | 126.8 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | 94.3 | 81.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 39 | R | 42.9 | Very low | 51.7 | Low | 218 Ų | 218 | 123.2 Ų | 123.2 | 82% | 0.823 | 71% | 0.709 | S | S | * | * | trans | 155.4 | 79.7 | 143.5 | -85.7 | 178.7 | -153.5 | -137.4 | 7.1 | 108 | L41 T43 | R39-L41 PolarHBondContact O-N 2.77Å; R39-L41 VanDerWaalsContact O-N 3.15Å; R39-T43 PolarHBondContact O-OG1 2.61Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å | ||
| 40 | R | 49.1 | Very low | 54.1 | Low | 234 Ų | 234 | 121.3 Ų | 121.3 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 101.3 | 172.2 | -70 | -178.9 | -169.8 | -101.8 | 1.5 | 107.3 | ||
| 41 | L | 49.6 | Very low | 56.4 | Low | 169 Ų | 169 | 118.9 Ų | 118.9 | 89% | 0.885 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.3 | -15.3 | 147.6 | -87.5 | 153.1 | 0 | 0 | 0 | 111.8 | R39 | R39-L41 PolarHBondContact O-N 2.77Å; R39-L41 VanDerWaalsContact O-N 3.15Å |
| 42 | G | 52.3 | Low | 58.9 | Low | 50 Ų | 50 | 114.1 Ų | 114.1 | 52% | 0.515 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.4 | -15.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | T46 | G42-T46 PolarHBondContact O-OG1 2.8Š|
| 43 | T | 54.7 | Low | 61 | Low | 80 Ų | 80 | 108.8 Ų | 108.8 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -84.3 | -24.6 | -179 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | R39 T46 A47 | R39-T43 PolarHBondContact O-OG1 2.61Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å; T43-T46 WeakPolarHBondContact CA-OG1 3.31Å; T43-T46 PolarHBondContact O-OG1 2.89Å; T43-T46 VanDerWaalsContact O-OG1 3.12Å; T43-A47 VanDerWaalsContact O-CB 3.29Å; T43-A47 WeakPolarHBondContact O-CB 3.26Å; T43-A47 PolarHBondContact O-N 3.24Å |
| 44 | V | 58.2 | Low | 63.4 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.8 | -41.2 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 110 | M48 | V44-M48 HydrophobicContact CG1-CG 4.33Å; V44-M48 VanDerWaalsContact O-CB 3.29Å; V44-M48 WeakPolarHBondContact O-CB 3.27Å; V44-M48 WeakPolarHBondContact O-CG 3.42Å; V44-M48 PolarHBondContact O-N 3.45Å |
| 45 | S | 62.7 | Low | 66.1 | Low | 82 Ų | 82 | 108.9 Ų | 108.9 | 57% | 0.573 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -35.5 | 179.6 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | A49 | S45-A49 WeakPolarHBondContact O-CB 3.21Å; S45-A49 PolarHBondContact O-N 2.97Å |
| 46 | T | 72.9 | Confident | 68.7 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 58% | 0.577 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.6 | -37.2 | 177.1 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | G42 T43 A49 A50 | G42-T46 PolarHBondContact O-OG1 2.8Å; T43-T46 WeakPolarHBondContact CA-OG1 3.31Å; T43-T46 PolarHBondContact O-OG1 2.89Å; T43-T46 VanDerWaalsContact O-OG1 3.12Å; T46-A49 PolarHBondContact O-N 3.07Å; T46-A50 WeakPolarHBondContact O-CB 3.39Å; T46-A50 PolarHBondContact O-N 3.2Å |
| 47 | A | 73.7 | Confident | 71 | Confident | 51 Ų | 51 | 103.9 Ų | 103.9 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -40.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T43 A50 T51 | T43-A47 VanDerWaalsContact O-CB 3.29Å; T43-A47 WeakPolarHBondContact O-CB 3.26Å; T43-A47 PolarHBondContact O-N 3.24Å; A47-A50 PolarHBondContact O-N 3.45Å; A47-T51 WeakPolarHBondContact O-CG2 3.23Å; A47-T51 PolarHBondContact O-N 3.12Å; A47-T51 PolarHBondContact O-OG1 3.45Å |
| 48 | M | 77.8 | Confident | 73.4 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.4 | -43.6 | 173.6 | -73 | -68.4 | 101.2 | 0 | 0 | 111.7 | V44 T51 Q52 | V44-M48 HydrophobicContact CG1-CG 4.33Å; V44-M48 VanDerWaalsContact O-CB 3.29Å; V44-M48 WeakPolarHBondContact O-CB 3.27Å; V44-M48 WeakPolarHBondContact O-CG 3.42Å; V44-M48 PolarHBondContact O-N 3.45Å; M48-T51 WeakPolarHBondContact CA-OG1 3.42Å; M48-T51 PolarHBondContact O-N 3.34Å; M48-T51 PolarHBondContact O-OG1 3.5Å; M48-Q52 WeakPolarHBondContact O-CB 3.36Å; M48-Q52 PolarHBondContact O-N 3.06Å |
| 49 | A | 82.7 | Confident | 75.7 | Confident | 41 Ų | 41 | 107.2 Ų | 107.2 | 34% | 0.339 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S45 T46 T51 Q52 E53 | S45-A49 WeakPolarHBondContact O-CB 3.21Å; S45-A49 PolarHBondContact O-N 2.97Å; T46-A49 PolarHBondContact O-N 3.07Å; A49-T51 VanDerWaalsContact C-N 3.35Å; A49-T51 PolarHBondContact O-N 3.4Å; A49-Q52 WeakPolarHBondContact O-CB 3.24Å; A49-Q52 PolarHBondContact O-N 2.8Å; A49-Q52 VanDerWaalsContact O-N 3.11Å; A49-E53 WeakPolarHBondContact O-CG 3.47Å; A49-E53 PolarHBondContact O-N 2.76Å |
| 50 | A | 83.3 | Confident | 78.2 | Confident | 54 Ų | 54 | 102.6 Ų | 102.6 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T46 A47 Q52 L54 | T46-A50 WeakPolarHBondContact O-CB 3.39Å; T46-A50 PolarHBondContact O-N 3.2Å; A47-A50 PolarHBondContact O-N 3.45Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 PolarHBondContact O-N 2.91Å |
| 51 | T | 85.4 | Confident | 80.5 | Confident | 68 Ų | 68 | 95.1 Ų | 95.1 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 173.6 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | A47 M48 A49 L54 L55 | A47-T51 WeakPolarHBondContact O-CG2 3.23Å; A47-T51 PolarHBondContact O-N 3.12Å; A47-T51 PolarHBondContact O-OG1 3.45Å; M48-T51 WeakPolarHBondContact CA-OG1 3.42Å; M48-T51 PolarHBondContact O-N 3.34Å; M48-T51 PolarHBondContact O-OG1 3.5Å; A49-T51 VanDerWaalsContact C-N 3.35Å; A49-T51 PolarHBondContact O-N 3.4Å; T51-L54 PolarHBondContact O-N 3.32Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.76Å |
| 52 | Q | 90.2 | Very high | 82.7 | Confident | 131 Ų | 131 | 91.9 Ų | 91.9 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72 | -40.6 | 178.5 | -163.9 | 164.6 | 17.9 | 0 | 0 | 111.5 | M48 A49 A50 L54 L55 L56 | M48-Q52 WeakPolarHBondContact O-CB 3.36Å; M48-Q52 PolarHBondContact O-N 3.06Å; A49-Q52 WeakPolarHBondContact O-CB 3.24Å; A49-Q52 PolarHBondContact O-N 2.8Å; A49-Q52 VanDerWaalsContact O-N 3.11Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; Q52-L54 VanDerWaalsContact C-N 3.35Å; Q52-L55 PolarHBondContact O-N 3.36Å; Q52-L56 WeakPolarHBondContact O-CG 3.38Å; Q52-L56 PolarHBondContact O-N 3Å |
| 53 | E | 90.2 | Very high | 84.8 | Confident | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -42.5 | 171.2 | -72.9 | 174.6 | -178.5 | 0 | 0 | 111.7 | A49 L55 L56 Q57 | A49-E53 WeakPolarHBondContact O-CG 3.47Å; A49-E53 PolarHBondContact O-N 2.76Å; E53-L55 PolarHBondContact O-N 3.33Å; E53-L56 PolarHBondContact O-N 3.26Å; E53-Q57 WeakPolarHBondContact O-CB 3.38Å; E53-Q57 PolarHBondContact O-N 3.18Å |
| 54 | L | 93.6 | Very high | 86.8 | Confident | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 176 | -177.7 | 64.1 | 0 | 0 | 0 | 111.9 | A50 T51 Q52 Q57 L58 | A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 PolarHBondContact O-N 2.91Å; T51-L54 PolarHBondContact O-N 3.32Å; Q52-L54 VanDerWaalsContact C-N 3.35Å; L54-Q57 PolarHBondContact O-N 2.77Å; L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.29Å; L54-L58 WeakPolarHBondContact O-CB 3.13Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 2.84Å |
| 55 | L | 94 | Very high | 88.6 | Confident | 118 Ų | 118 | 93.3 Ų | 93.3 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 176.1 | -74.7 | 174 | 0 | 0 | 0 | 111.9 | T51 Q52 E53 Q57 L58 Q59 | T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.76Å; Q52-L55 PolarHBondContact O-N 3.36Å; E53-L55 PolarHBondContact O-N 3.33Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 2.82Å; L55-L58 PolarHBondContact O-N 3.08Å; L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 PolarHBondContact O-N 3.41Å |
| 56 | L | 93.9 | Very high | 90.3 | Very high | 108 Ų | 108 | 98 Ų | 98 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 175.4 | -70.2 | 174.8 | 0 | 0 | 0 | 111.5 | Q52 E53 Q59 K60 | Q52-L56 WeakPolarHBondContact O-CG 3.38Å; Q52-L56 PolarHBondContact O-N 3Å; E53-L56 PolarHBondContact O-N 3.26Å; L56-Q59 PolarHBondContact O-N 3.06Å; L56-K60 PolarHBondContact O-N 3.44Å |
| 57 | Q | 93.8 | Very high | 91.4 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 176.3 | -174.6 | 59.3 | 27.8 | 0 | 0 | 111.5 | E53 L54 L55 Q59 K60 D61 | E53-Q57 WeakPolarHBondContact O-CB 3.38Å; E53-Q57 PolarHBondContact O-N 3.18Å; L54-Q57 PolarHBondContact O-N 2.77Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 2.82Å; Q57-Q59 VanDerWaalsContact C-N 3.27Å; Q57-Q59 PolarHBondContact O-N 3.44Å; Q57-K60 WeakPolarHBondContact O-CB 3.45Å; Q57-K60 PolarHBondContact O-N 3.21Å; Q57-K60 VanDerWaalsContact O-N 3.17Å; Q57-D61 PolarHBondContact NE2-OD1 2.85Å; Q57-D61 PolarHBondContact NE2-OD2 2.79Å; Q57-D61 WeakPolarHBondContact O-CB 3.48Å; Q57-D61 VanDerWaalsContact O-CG 3.25Å; Q57-D61 PolarHBondContact O-N 2.79Å |
| 58 | L | 94.3 | Very high | 92.5 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.8 | -72.2 | 174.4 | 0 | 0 | 0 | 112 | L54 L55 N62 | L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.29Å; L54-L58 WeakPolarHBondContact O-CB 3.13Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 2.84Å; L55-L58 PolarHBondContact O-N 3.08Å; L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.34Å; L58-N62 PolarHBondContact O-N 3.04Å; L58-N62 PolarHBondContact O-ND2 2.96Å |
| 59 | Q | 94.9 | Very high | 93.5 | Very high | 135 Ų | 135 | 104.1 Ų | 104.1 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 176 | -171.6 | 177.7 | -0.2 | 0 | 0 | 111.6 | L55 L56 Q57 R63 | L55-Q59 WeakPolarHBondContact O-CB 3.32Å; L55-Q59 PolarHBondContact O-N 3.41Å; L56-Q59 PolarHBondContact O-N 3.06Å; Q57-Q59 VanDerWaalsContact C-N 3.27Å; Q57-Q59 PolarHBondContact O-N 3.44Å; Q59-R63 PolarHBondContact O-N 3.01Å; Q59-R63 VanDerWaalsContact O-N 3.1Å |
| 60 | K | 95.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 107.6 Ų | 107.6 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 173.4 | -175 | -177.9 | 175.9 | -175.4 | 0 | 111.4 | L56 Q57 N62 R63 D64 | L56-K60 PolarHBondContact O-N 3.44Å; Q57-K60 WeakPolarHBondContact O-CB 3.45Å; Q57-K60 PolarHBondContact O-N 3.21Å; Q57-K60 VanDerWaalsContact O-N 3.17Å; K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.2Å; K60-R63 WeakPolarHBondContact O-CA 3.28Å; K60-R63 WeakPolarHBondContact O-CB 3.4Å; K60-R63 PolarHBondContact O-N 3.44Å; K60-D64 PolarHBondContact O-N 2.95Å |
| 61 | D | 96.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 110.4 Ų | 110.4 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 179.5 | -66.3 | -20.8 | 0 | 0 | 0 | 111.7 | Q57 D64 G65 | Q57-D61 PolarHBondContact NE2-OD1 2.85Å; Q57-D61 PolarHBondContact NE2-OD2 2.79Å; Q57-D61 WeakPolarHBondContact O-CB 3.48Å; Q57-D61 VanDerWaalsContact O-CG 3.25Å; Q57-D61 PolarHBondContact O-N 2.79Å; D61-D64 PolarHBondContact O-N 3.39Å; D61-G65 PolarHBondContact O-N 3.33Å |
| 62 | N | 96.6 | Very high | 95.5 | Very high | 100 Ų | 100 | 112.2 Ų | 112.2 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 172 | -89 | -70 | 0 | 0 | 0 | 112.6 | L58 K60 R66 | L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.34Å; L58-N62 PolarHBondContact O-N 3.04Å; L58-N62 PolarHBondContact O-ND2 2.96Å; K60-N62 VanDerWaalsContact C-N 3.26Å; K60-N62 PolarHBondContact O-N 3.2Å; N62-R66 WeakPolarHBondContact O-CG 3.28Å; N62-R66 PolarHBondContact O-N 2.91Å; N62-R66 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 95.6 | Very high | 95.9 | Very high | 171 Ų | 171 | 109 Ų | 109 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | 175.6 | -174.2 | 178.5 | 178.8 | 166.3 | -0 | 110.7 | Q59 K60 R66 Q67 | Q59-R63 PolarHBondContact O-N 3.01Å; Q59-R63 VanDerWaalsContact O-N 3.1Å; K60-R63 WeakPolarHBondContact O-CA 3.28Å; K60-R63 WeakPolarHBondContact O-CB 3.4Å; K60-R63 PolarHBondContact O-N 3.44Å; R63-R66 PolarHBondContact O-N 3.01Å; R63-Q67 WeakPolarHBondContact O-CG 3.27Å; R63-Q67 PolarHBondContact O-N 3.16Å |
| 64 | D | 96.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 109.5 Ų | 109.5 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 178.4 | -65.1 | -9.6 | 0 | 0 | 0 | 111 | K60 D61 R66 Q67 R68 | K60-D64 PolarHBondContact O-N 2.95Å; D61-D64 PolarHBondContact O-N 3.39Å; D64-R66 VanDerWaalsContact C-N 3.34Å; D64-R66 PolarHBondContact O-N 2.92Å; D64-Q67 PolarHBondContact O-N 3.43Å; D64-R68 WeakPolarHBondContact O-CG 3.23Å; D64-R68 PolarHBondContact O-N 3.38Å |
| 65 | G | 97.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 109.8 Ų | 109.8 | 38% | 0.381 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D61 K69 | D61-G65 PolarHBondContact O-N 3.33Å; G65-K69 WeakPolarHBondContact O-CB 3.24Å; G65-K69 PolarHBondContact O-N 2.94Å |
| 66 | R | 96.7 | Very high | 96.7 | Very high | 180 Ų | 180 | 109.1 Ų | 109.1 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -41 | 173.9 | -72 | 175.5 | -168.9 | -169.2 | 3.7 | 112.1 | N62 R63 D64 K69 Q70 | N62-R66 WeakPolarHBondContact O-CG 3.28Å; N62-R66 PolarHBondContact O-N 2.91Å; N62-R66 VanDerWaalsContact O-N 3.08Å; R63-R66 PolarHBondContact O-N 3.01Å; D64-R66 VanDerWaalsContact C-N 3.34Å; D64-R66 PolarHBondContact O-N 2.92Å; R66-K69 PolarHBondContact O-N 3.32Å; R66-Q70 WeakPolarHBondContact O-CG 3.33Å; R66-Q70 PolarHBondContact O-N 2.88Å |
| 67 | Q | 96.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 111.9 Ų | 111.9 | 41% | 0.407 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | 177.2 | -71.9 | 175.3 | -14.2 | 0 | 0 | 111.4 | R63 D64 K69 Q70 E71 | R63-Q67 WeakPolarHBondContact O-CG 3.27Å; R63-Q67 PolarHBondContact O-N 3.16Å; D64-Q67 PolarHBondContact O-N 3.43Å; Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 3.26Å; Q67-Q70 WeakPolarHBondContact O-CB 3.25Å; Q67-Q70 PolarHBondContact O-N 3.33Å; Q67-Q70 VanDerWaalsContact O-N 3.08Å; Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.32Å |
| 68 | R | 97 | Very high | 97.1 | Very high | 167 Ų | 167 | 109.2 Ų | 109.2 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.3 | -39.9 | 175.7 | -70.1 | 176 | -173.7 | 171.1 | 4.4 | 112 | D64 Q70 E71 L72 | D64-R68 WeakPolarHBondContact O-CG 3.23Å; D64-R68 PolarHBondContact O-N 3.38Å; R68-Q70 PolarHBondContact O-N 3.02Å; R68-E71 PolarHBondContact O-N 3.49Å; R68-L72 WeakPolarHBondContact O-CB 3.13Å; R68-L72 VanDerWaalsContact O-CG 3.31Å; R68-L72 WeakPolarHBondContact O-CG 3.28Å; R68-L72 PolarHBondContact O-N 3.5Å |
| 69 | K | 97.6 | Very high | 97.3 | Very high | 131 Ų | 131 | 110.7 Ų | 110.7 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 174.8 | -170.9 | -175 | -179.4 | -164 | 0 | 111.6 | G65 R66 Q67 L72 E73 | G65-K69 WeakPolarHBondContact O-CB 3.24Å; G65-K69 PolarHBondContact O-N 2.94Å; R66-K69 PolarHBondContact O-N 3.32Å; Q67-K69 VanDerWaalsContact C-N 3.29Å; Q67-K69 PolarHBondContact O-N 3.26Å; K69-L72 PolarHBondContact O-N 2.86Å; K69-E73 WeakPolarHBondContact CE-OE1 3.49Å; K69-E73 IonicContact NZ-OE1 3.2Å; K69-E73 WeakPolarHBondContact O-CB 3.47Å; K69-E73 WeakPolarHBondContact O-CG 3.35Å; K69-E73 PolarHBondContact O-N 3.36Å |
| 70 | Q | 97.7 | Very high | 97.4 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 177.1 | -72.1 | 173.9 | -5.6 | 0 | 0 | 112.4 | R66 Q67 R68 E73 K74 | R66-Q70 WeakPolarHBondContact O-CG 3.33Å; R66-Q70 PolarHBondContact O-N 2.88Å; Q67-Q70 WeakPolarHBondContact O-CB 3.25Å; Q67-Q70 PolarHBondContact O-N 3.33Å; Q67-Q70 VanDerWaalsContact O-N 3.08Å; R68-Q70 PolarHBondContact O-N 3.02Å; Q70-E73 PolarHBondContact O-N 3.34Å; Q70-K74 WeakPolarHBondContact O-CG 3.31Å; Q70-K74 PolarHBondContact O-N 2.98Å |
| 71 | E | 97.9 | Very high | 97.6 | Very high | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.5 | -71.2 | 171.3 | 179.5 | 0 | 0 | 111.5 | Q67 R68 E73 K74 L75 | Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.32Å; R68-E71 PolarHBondContact O-N 3.49Å; E71-E73 PolarHBondContact O-N 3.5Å; E71-K74 WeakPolarHBondContact O-CB 3.32Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-L75 WeakPolarHBondContact O-CG 3.43Å; E71-L75 PolarHBondContact O-N 2.69Å |
| 72 | L | 98.2 | Very high | 97.7 | Very high | 107 Ų | 107 | 108.7 Ų | 108.7 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 175 | -72.7 | 173.1 | 0 | 0 | 0 | 111.8 | R68 K69 K74 L75 M76 | R68-L72 WeakPolarHBondContact O-CB 3.13Å; R68-L72 VanDerWaalsContact O-CG 3.31Å; R68-L72 WeakPolarHBondContact O-CG 3.28Å; R68-L72 PolarHBondContact O-N 3.5Å; K69-L72 PolarHBondContact O-N 2.86Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 3.48Å; L72-L75 PolarHBondContact O-N 3.38Å; L72-M76 WeakPolarHBondContact O-CB 3.41Å; L72-M76 WeakPolarHBondContact O-CG 3.49Å; L72-M76 PolarHBondContact O-N 2.89Å |
| 73 | E | 98.2 | Very high | 97.7 | Very high | 63 Ų | 63 | 106.5 Ų | 106.5 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 175.1 | -75.8 | 174.2 | -169.2 | 0 | 0 | 112.1 | K69 Q70 E71 M76 R77 | K69-E73 WeakPolarHBondContact CE-OE1 3.49Å; K69-E73 IonicContact NZ-OE1 3.2Å; K69-E73 WeakPolarHBondContact O-CB 3.47Å; K69-E73 WeakPolarHBondContact O-CG 3.35Å; K69-E73 PolarHBondContact O-N 3.36Å; Q70-E73 PolarHBondContact O-N 3.34Å; E71-E73 PolarHBondContact O-N 3.5Å; E73-M76 HydrophobicContact CG-CE 4.05Å; E73-R77 VanDerWaalsContact O-CG 3.31Å; E73-R77 WeakPolarHBondContact O-CG 3.31Å; E73-R77 PolarHBondContact O-N 3.25Å |
| 74 | K | 98.3 | Very high | 97.8 | Very high | 146 Ų | 146 | 102.9 Ų | 102.9 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 174.1 | -72.4 | 171.4 | -176.4 | 177.7 | 0 | 111.7 | Q70 E71 L72 R77 G78 | Q70-K74 WeakPolarHBondContact O-CG 3.31Å; Q70-K74 PolarHBondContact O-N 2.98Å; E71-K74 WeakPolarHBondContact O-CB 3.32Å; E71-K74 PolarHBondContact O-N 3.41Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 3.48Å; K74-R77 PolarHBondContact O-N 2.99Å; K74-G78 PolarHBondContact O-N 3Å |
| 75 | L | 98.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 177.6 | -69.2 | 175.7 | 0 | 0 | 0 | 111.8 | E71 L72 R77 G78 L79 | E71-L75 WeakPolarHBondContact O-CG 3.43Å; E71-L75 PolarHBondContact O-N 2.69Å; L72-L75 PolarHBondContact O-N 3.38Å; L75-R77 PolarHBondContact O-N 2.94Å; L75-G78 PolarHBondContact O-N 2.91Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.25Å |
| 76 | M | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 106 Ų | 106 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.5 | -73.5 | -169.5 | -56.1 | 0 | 0 | 111.1 | L72 E73 G78 L79 E80 | L72-M76 WeakPolarHBondContact O-CB 3.41Å; L72-M76 WeakPolarHBondContact O-CG 3.49Å; L72-M76 PolarHBondContact O-N 2.89Å; E73-M76 HydrophobicContact CG-CE 4.05Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.82Å; M76-L79 PolarHBondContact O-N 3.21Å; M76-E80 WeakPolarHBondContact O-CB 3.43Å; M76-E80 VanDerWaalsContact O-CG 3.31Å; M76-E80 WeakPolarHBondContact O-CG 3.47Å; M76-E80 PolarHBondContact O-N 3.35Å |
| 77 | R | 98.2 | Very high | 98.1 | Very high | 166 Ų | 166 | 101.8 Ų | 101.8 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 175.8 | -71.3 | 178.4 | -167.4 | 175.2 | 6.6 | 112.8 | E73 K74 L75 E80 A81 | E73-R77 VanDerWaalsContact O-CG 3.31Å; E73-R77 WeakPolarHBondContact O-CG 3.31Å; E73-R77 PolarHBondContact O-N 3.25Å; K74-R77 PolarHBondContact O-N 2.99Å; L75-R77 PolarHBondContact O-N 2.94Å; R77-E80 PolarHBondContact O-N 2.97Å; R77-A81 WeakPolarHBondContact O-CB 3.45Å; R77-A81 PolarHBondContact O-N 2.83Å |
| 78 | G | 98.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 104.1 Ų | 104.1 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K74 L75 M76 E80 A81 E82 | K74-G78 PolarHBondContact O-N 3Å; L75-G78 PolarHBondContact O-N 2.91Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.82Å; G78-E80 PolarHBondContact O-N 3.47Å; G78-A81 PolarHBondContact O-N 2.86Å; G78-E82 WeakPolarHBondContact O-CG 3.46Å; G78-E82 PolarHBondContact O-N 3.4Å |
| 79 | L | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 103.7 Ų | 103.7 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -38.6 | 176.9 | -71.2 | 173.1 | 0 | 0 | 0 | 112.4 | L75 M76 E82 S83 | L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.25Å; M76-L79 PolarHBondContact O-N 3.21Å; L79-E82 PolarHBondContact O-N 2.95Å; L79-S83 VanDerWaalsContact O-CB 3.27Å; L79-S83 WeakPolarHBondContact O-CB 3.48Å; L79-S83 PolarHBondContact O-N 3.48Å; L79-S83 PolarHBondContact O-OG 2.97Å |
| 80 | E | 98.4 | Very high | 98.3 | Very high | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 174 | -75.8 | 168.6 | 178.4 | 0 | 0 | 110.6 | M76 R77 G78 E82 S83 E84 | M76-E80 WeakPolarHBondContact O-CB 3.43Å; M76-E80 VanDerWaalsContact O-CG 3.31Å; M76-E80 WeakPolarHBondContact O-CG 3.47Å; M76-E80 PolarHBondContact O-N 3.35Å; R77-E80 PolarHBondContact O-N 2.97Å; G78-E80 PolarHBondContact O-N 3.47Å; E80-E82 VanDerWaalsContact C-N 3.35Å; E80-E82 PolarHBondContact O-N 2.94Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 VanDerWaalsContact O-N 3.15Å; E80-S83 PolarHBondContact O-OG 3.07Å; E80-E84 WeakPolarHBondContact O-CG 3.37Å; E80-E84 PolarHBondContact O-N 3.36Å |
| 81 | A | 98.2 | Very high | 98.3 | Very high | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R77 G78 E84 S85 | R77-A81 WeakPolarHBondContact O-CB 3.45Å; R77-A81 PolarHBondContact O-N 2.83Å; G78-A81 PolarHBondContact O-N 2.86Å; A81-E84 PolarHBondContact O-N 2.88Å; A81-S85 WeakPolarHBondContact O-CB 3.49Å; A81-S85 PolarHBondContact O-N 3.37Å |
| 82 | E | 98.5 | Very high | 98.3 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 173.4 | -74.7 | -179.8 | -176.8 | 0 | 0 | 111.5 | G78 L79 E80 E84 S85 L86 | G78-E82 WeakPolarHBondContact O-CG 3.46Å; G78-E82 PolarHBondContact O-N 3.4Å; L79-E82 PolarHBondContact O-N 2.95Å; E80-E82 VanDerWaalsContact C-N 3.35Å; E80-E82 PolarHBondContact O-N 2.94Å; E82-E84 VanDerWaalsContact C-N 3.34Å; E82-E84 PolarHBondContact O-N 3.23Å; E82-S85 WeakPolarHBondContact O-CB 3.5Å; E82-S85 PolarHBondContact O-N 3.48Å; E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.08Å |
| 83 | S | 97.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.4 | 80 | 0 | 0 | 0 | 0 | 111.7 | L79 E80 L86 N87 | L79-S83 VanDerWaalsContact O-CB 3.27Å; L79-S83 WeakPolarHBondContact O-CB 3.48Å; L79-S83 PolarHBondContact O-N 3.48Å; L79-S83 PolarHBondContact O-OG 2.97Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 VanDerWaalsContact O-N 3.15Å; E80-S83 PolarHBondContact O-OG 3.07Å; S83-L86 PolarHBondContact O-N 3.22Å; S83-N87 WeakPolarHBondContact O-CB 3.4Å; S83-N87 VanDerWaalsContact O-CG 3.22Å; S83-N87 PolarHBondContact O-N 3.36Å; S83-N87 PolarHBondContact O-ND2 3.49Å; S83-N87 VanDerWaalsContact O-ND2 3.16Å |
| 84 | E | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 174 | -73.4 | -176.5 | -171.4 | 0 | 0 | 111.7 | E80 A81 E82 N87 R88 | E80-E84 WeakPolarHBondContact O-CG 3.37Å; E80-E84 PolarHBondContact O-N 3.36Å; A81-E84 PolarHBondContact O-N 2.88Å; E82-E84 VanDerWaalsContact C-N 3.34Å; E82-E84 PolarHBondContact O-N 3.23Å; E84-N87 PolarHBondContact O-N 3.33Å; E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.11Å; E84-R88 IonicContact OE2-CZ 2.84Å; E84-R88 IonicContact OE2-NH1 3.8Å; E84-R88 IonicContact OE2-NH2 3.7Å; E84-R88 PolarHBondContact OE2-NH2 3.47Å |
| 85 | S | 98.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 99 Ų | 99 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.5 | -171 | 0 | 0 | 0 | 0 | 111.5 | A81 E82 R88 R89 | A81-S85 WeakPolarHBondContact O-CB 3.49Å; A81-S85 PolarHBondContact O-N 3.37Å; E82-S85 WeakPolarHBondContact O-CB 3.5Å; E82-S85 PolarHBondContact O-N 3.48Å; S85-R88 PolarHBondContact O-N 2.77Å; S85-R89 WeakPolarHBondContact O-CG 3.45Å; S85-R89 PolarHBondContact O-N 2.71Å |
| 86 | L | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.2 | -70.6 | 175.3 | 0 | 0 | 0 | 111.9 | E82 S83 R88 R89 L90 | E82-L86 WeakPolarHBondContact O-CG 3.47Å; E82-L86 PolarHBondContact O-N 3.08Å; S83-L86 PolarHBondContact O-N 3.22Å; L86-R88 PolarHBondContact O-N 2.85Å; L86-R89 PolarHBondContact O-N 3.2Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.31Å |
| 87 | N | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 102 Ų | 102 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.4 | -77.2 | -30.3 | 0 | 0 | 0 | 112.1 | S83 E84 L90 Q91 | S83-N87 WeakPolarHBondContact O-CB 3.4Å; S83-N87 VanDerWaalsContact O-CG 3.22Å; S83-N87 PolarHBondContact O-N 3.36Å; S83-N87 PolarHBondContact O-ND2 3.49Å; S83-N87 VanDerWaalsContact O-ND2 3.16Å; E84-N87 PolarHBondContact O-N 3.33Å; N87-L90 PolarHBondContact O-N 3.44Å; N87-Q91 WeakPolarHBondContact O-CG 3.5Å; N87-Q91 PolarHBondContact O-N 2.91Å |
| 88 | R | 98.4 | Very high | 98.3 | Very high | 136 Ų | 136 | 101.5 Ų | 101.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 173.3 | -71.3 | 176 | -168.5 | 120.9 | 10.3 | 111.1 | E84 S85 L86 L90 Q91 D92 | E84-R88 VanDerWaalsContact O-CG 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.11Å; E84-R88 IonicContact OE2-CZ 2.84Å; E84-R88 IonicContact OE2-NH1 3.8Å; E84-R88 IonicContact OE2-NH2 3.7Å; E84-R88 PolarHBondContact OE2-NH2 3.47Å; S85-R88 PolarHBondContact O-N 2.77Å; L86-R88 PolarHBondContact O-N 2.85Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 2.84Å; R88-Q91 WeakPolarHBondContact O-CB 3.32Å; R88-Q91 PolarHBondContact O-N 3.38Å; R88-D92 PolarHBondContact O-N 2.83Å |
| 89 | R | 98.5 | Very high | 98.3 | Very high | 158 Ų | 158 | 102.3 Ų | 102.3 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 176.9 | -73.1 | 176.8 | 179.7 | -165.2 | 0.6 | 112.9 | S85 L86 Q91 D92 L93 | S85-R89 WeakPolarHBondContact O-CG 3.45Å; S85-R89 PolarHBondContact O-N 2.71Å; L86-R89 PolarHBondContact O-N 3.2Å; R89-Q91 VanDerWaalsContact C-N 3.35Å; R89-D92 PolarHBondContact O-N 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.35Å; R89-L93 PolarHBondContact O-N 3.34Å |
| 90 | L | 98.6 | Very high | 98.3 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 176 | -75.5 | 172.4 | 0 | 0 | 0 | 111.5 | L86 N87 R88 L93 S94 | L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.31Å; N87-L90 PolarHBondContact O-N 3.44Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 2.84Å; L90-L93 PolarHBondContact O-N 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 2.86Å |
| 91 | Q | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174.5 | -71.8 | 172.1 | -8 | 0 | 0 | 111 | N87 R88 R89 L93 S94 E95 | N87-Q91 WeakPolarHBondContact O-CG 3.5Å; N87-Q91 PolarHBondContact O-N 2.91Å; R88-Q91 WeakPolarHBondContact O-CB 3.32Å; R88-Q91 PolarHBondContact O-N 3.38Å; R89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 3.14Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.47Å; Q91-S94 VanDerWaalsContact O-N 3.08Å; Q91-S94 PolarHBondContact O-OG 2.94Å; Q91-E95 WeakPolarHBondContact O-CG 3.3Å; Q91-E95 PolarHBondContact O-N 2.67Å |
| 92 | D | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 106.9 Ų | 106.9 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 177.2 | -67.3 | -23.3 | 0 | 0 | 0 | 112.4 | R88 R89 E95 R96 | R88-D92 PolarHBondContact O-N 2.83Å; R89-D92 PolarHBondContact O-N 3.29Å; D92-E95 PolarHBondContact O-N 2.91Å; D92-R96 VanDerWaalsContact O-CG 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.38Å; D92-R96 PolarHBondContact O-N 3.4Å |
| 93 | L | 98.5 | Very high | 97.9 | Very high | 104 Ų | 104 | 109.1 Ų | 109.1 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.9 | -73.3 | 175.9 | 0 | 0 | 0 | 111.7 | R89 L90 Q91 E95 R96 E97 | R89-L93 WeakPolarHBondContact O-CG 3.35Å; R89-L93 PolarHBondContact O-N 3.34Å; L90-L93 PolarHBondContact O-N 3.27Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 3.14Å; L93-E95 VanDerWaalsContact C-N 3.31Å; L93-E95 PolarHBondContact O-N 3.44Å; L93-R96 PolarHBondContact O-N 2.86Å; L93-E97 PolarHBondContact O-N 2.79Å |
| 94 | S | 97.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 114.9 Ų | 114.9 | 26% | 0.259 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 177.2 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | L90 Q91 R98 | L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 2.86Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.47Å; Q91-S94 VanDerWaalsContact O-N 3.08Å; Q91-S94 PolarHBondContact O-OG 2.94Å; S94-R98 VanDerWaalsContact O-CG 3.26Å; S94-R98 WeakPolarHBondContact O-CG 3.18Å; S94-R98 PolarHBondContact O-N 2.86Å |
| 95 | E | 98.5 | Very high | 97.4 | Very high | 120 Ų | 120 | 113 Ų | 113 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | 175.2 | -71 | -178.1 | 177.7 | 0 | 0 | 111.6 | Q91 D92 L93 R98 S99 | Q91-E95 WeakPolarHBondContact O-CG 3.3Å; Q91-E95 PolarHBondContact O-N 2.67Å; D92-E95 PolarHBondContact O-N 2.91Å; L93-E95 VanDerWaalsContact C-N 3.31Å; L93-E95 PolarHBondContact O-N 3.44Å; E95-R98 PolarHBondContact O-N 2.92Å; E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.48Å |
| 96 | R | 98.3 | Very high | 97.2 | Very high | 158 Ų | 158 | 117.1 Ų | 117.1 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 173.8 | -73.7 | 172.7 | -174.6 | -171 | 3.3 | 111.4 | D92 L93 R98 S99 L100 | D92-R96 VanDerWaalsContact O-CG 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.38Å; D92-R96 PolarHBondContact O-N 3.4Å; L93-R96 PolarHBondContact O-N 2.86Å; R96-R98 PolarHBondContact O-N 3.21Å; R96-S99 PolarHBondContact O-N 2.83Å; R96-S99 PolarHBondContact O-OG 3.15Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 2.87Å |
| 97 | E | 98.2 | Very high | 96.8 | Very high | 123 Ų | 123 | 114.8 Ų | 114.8 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.8 | -48.6 | 175.9 | -173.4 | -178.5 | -179.6 | 0 | 0 | 111.2 | L93 S99 L100 L101 | L93-E97 PolarHBondContact O-N 2.79Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.4Å; E97-L100 PolarHBondContact O-N 2.86Å; E97-L101 HydrophobicContact CG-CD1 4.12Å; E97-L101 HydrophobicContact CG-CG 4.43Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.3Å; E97-L101 WeakPolarHBondContact O-CG 3.43Å; E97-L101 PolarHBondContact O-N 2.74Å |
| 98 | R | 98.2 | Very high | 96.4 | Very high | 156 Ų | 156 | 113.7 Ų | 113.7 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.5 | -40.5 | 175.5 | -71.8 | 169.9 | -175.8 | 174.2 | 2.6 | 112.1 | S94 E95 R96 L101 R102 | S94-R98 VanDerWaalsContact O-CG 3.26Å; S94-R98 WeakPolarHBondContact O-CG 3.18Å; S94-R98 PolarHBondContact O-N 2.86Å; E95-R98 PolarHBondContact O-N 2.92Å; R96-R98 PolarHBondContact O-N 3.21Å; R98-L101 PolarHBondContact O-N 3.13Å; R98-R102 WeakPolarHBondContact O-CG 3.36Å; R98-R102 PolarHBondContact O-N 2.66Å |
| 99 | S | 97.8 | Very high | 96 | Very high | 51 Ų | 51 | 114 Ų | 114 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.7 | 83.1 | 0 | 0 | 0 | 0 | 112 | E95 R96 E97 R102 R103 | E95-S99 WeakPolarHBondContact O-CB 3.34Å; E95-S99 PolarHBondContact O-N 3.48Å; R96-S99 PolarHBondContact O-N 2.83Å; R96-S99 PolarHBondContact O-OG 3.15Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.4Å; S99-R102 PolarHBondContact O-N 3.35Å; S99-R103 WeakPolarHBondContact O-CG 3.36Å; S99-R103 PolarHBondContact O-N 2.85Å |
| 100 | L | 97.8 | Very high | 95.5 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69 | -40.9 | 177.7 | -72.3 | 173.7 | 0 | 0 | 0 | 111.1 | R96 E97 R102 R103 R104 | R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 2.87Å; E97-L100 PolarHBondContact O-N 2.86Å; L100-R102 VanDerWaalsContact C-N 3.35Å; L100-R102 PolarHBondContact O-N 3.14Å; L100-R103 PolarHBondContact O-N 3.21Å; L100-R104 VanDerWaalsContact O-CB 3.3Å; L100-R104 WeakPolarHBondContact O-CB 3.48Å; L100-R104 PolarHBondContact O-N 3.34Å |
| 101 | L | 96.1 | Very high | 95.1 | Very high | 92 Ų | 92 | 109.6 Ų | 109.6 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175 | -71.1 | 174 | 0 | 0 | 0 | 111.2 | E97 R98 R104 S105 | E97-L101 HydrophobicContact CG-CD1 4.12Å; E97-L101 HydrophobicContact CG-CG 4.43Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.3Å; E97-L101 WeakPolarHBondContact O-CG 3.43Å; E97-L101 PolarHBondContact O-N 2.74Å; R98-L101 PolarHBondContact O-N 3.13Å; L101-R104 PolarHBondContact O-N 2.81Å; L101-S105 PolarHBondContact O-N 2.86Å; L101-S105 PolarHBondContact O-OG 3.13Å |
| 102 | R | 95.9 | Very high | 94.7 | Very high | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -48.1 | 174.1 | -73.3 | 176.2 | -175.7 | 178.3 | 1.8 | 111.9 | R98 S99 L100 R104 S105 Q106 | R98-R102 WeakPolarHBondContact O-CG 3.36Å; R98-R102 PolarHBondContact O-N 2.66Å; S99-R102 PolarHBondContact O-N 3.35Å; L100-R102 VanDerWaalsContact C-N 3.35Å; L100-R102 PolarHBondContact O-N 3.14Å; R102-R104 VanDerWaalsContact C-N 3.32Å; R102-R104 PolarHBondContact O-N 3Å; R102-S105 WeakPolarHBondContact CA-OG 3.37Å; R102-S105 PolarHBondContact O-N 2.8Å; R102-S105 PolarHBondContact O-OG 2.93Å; R102-Q106 WeakPolarHBondContact O-CB 3.47Å; R102-Q106 VanDerWaalsContact O-CG 3.3Å; R102-Q106 WeakPolarHBondContact O-CG 3.32Å; R102-Q106 PolarHBondContact O-N 2.85Å |
| 103 | R | 95.3 | Very high | 94.4 | Very high | 171 Ų | 171 | 105.7 Ų | 105.7 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -41.3 | 176.5 | -74.3 | 178 | -178.2 | -144 | 1.1 | 111.9 | S99 L100 Q106 A107 | S99-R103 WeakPolarHBondContact O-CG 3.36Å; S99-R103 PolarHBondContact O-N 2.85Å; L100-R103 PolarHBondContact O-N 3.21Å; R103-Q106 PolarHBondContact O-N 3.33Å; R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 3.26Å |
| 104 | R | 95.1 | Very high | 94.2 | Very high | 176 Ų | 176 | 106.7 Ų | 106.7 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 175.6 | -177 | -178.4 | 176.5 | -171.4 | -0.5 | 111 | L100 L101 R102 Q106 A107 V108 | L100-R104 VanDerWaalsContact O-CB 3.3Å; L100-R104 WeakPolarHBondContact O-CB 3.48Å; L100-R104 PolarHBondContact O-N 3.34Å; L101-R104 PolarHBondContact O-N 2.81Å; R102-R104 VanDerWaalsContact C-N 3.32Å; R102-R104 PolarHBondContact O-N 3Å; R104-Q106 VanDerWaalsContact C-N 3.29Å; R104-Q106 PolarHBondContact O-N 2.87Å; R104-A107 PolarHBondContact O-N 3.37Å; R104-V108 HydrophobicContact CG-CG2 3.98Å; R104-V108 VanDerWaalsContact O-CB 3.28Å; R104-V108 WeakPolarHBondContact O-CB 3.34Å; R104-V108 WeakPolarHBondContact O-CG2 3.34Å; R104-V108 PolarHBondContact O-N 3.29Å |
| 105 | S | 90.8 | Very high | 94 | Very high | 55 Ų | 55 | 107.9 Ų | 107.9 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | L101 R102 Q109 | L101-S105 PolarHBondContact O-N 2.86Å; L101-S105 PolarHBondContact O-OG 3.13Å; R102-S105 WeakPolarHBondContact CA-OG 3.37Å; R102-S105 PolarHBondContact O-N 2.8Å; R102-S105 PolarHBondContact O-OG 2.93Å; S105-Q109 WeakPolarHBondContact O-CB 3.06Å; S105-Q109 VanDerWaalsContact O-CG 3.28Å; S105-Q109 WeakPolarHBondContact O-CG 3.44Å; S105-Q109 PolarHBondContact O-N 3.43Å; S105-Q109 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 92.3 | Very high | 93.8 | Very high | 134 Ų | 134 | 109 Ų | 109 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.9 | -36.3 | 178.6 | -73.7 | 170.7 | -7.4 | 0 | 0 | 112.8 | R102 R103 R104 P110 | R102-Q106 WeakPolarHBondContact O-CB 3.47Å; R102-Q106 VanDerWaalsContact O-CG 3.3Å; R102-Q106 WeakPolarHBondContact O-CG 3.32Å; R102-Q106 PolarHBondContact O-N 2.85Å; R103-Q106 PolarHBondContact O-N 3.33Å; R104-Q106 VanDerWaalsContact C-N 3.29Å; R104-Q106 PolarHBondContact O-N 2.87Å; Q106-P110 WeakPolarHBondContact O-CD 3.42Å; Q106-P110 VanDerWaalsContact O-CG 3.29Å; Q106-P110 WeakPolarHBondContact O-CG 3.44Å |
| 107 | A | 90.4 | Very high | 93.7 | Very high | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -80.2 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R103 R104 P110 L111 | R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 3.26Å; R104-A107 PolarHBondContact O-N 3.37Å; A107-P110 WeakPolarHBondContact O-CD 3.29Å; A107-L111 WeakPolarHBondContact O-CD1 3.46Å; A107-L111 WeakPolarHBondContact O-CG 3.23Å |
| 108 | V | 91.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.9 | -36.1 | -175.7 | 173 | 0 | 0 | 0 | 0 | 112.1 | R104 Q112 | R104-V108 HydrophobicContact CG-CG2 3.98Å; R104-V108 VanDerWaalsContact O-CB 3.28Å; R104-V108 WeakPolarHBondContact O-CB 3.34Å; R104-V108 WeakPolarHBondContact O-CG2 3.34Å; R104-V108 PolarHBondContact O-N 3.29Å; V108-Q112 WeakPolarHBondContact O-CB 3.39Å; V108-Q112 PolarHBondContact O-N 2.85Å |
| 109 | Q | 89.1 | Confident | 93.6 | Very high | 141 Ų | 141 | 98 Ų | 98 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.2 | -52.1 | -179.8 | -80.3 | -174.7 | 4.9 | 0 | 0 | 114.6 | S105 Q112 G113 | S105-Q109 WeakPolarHBondContact O-CB 3.06Å; S105-Q109 VanDerWaalsContact O-CG 3.28Å; S105-Q109 WeakPolarHBondContact O-CG 3.44Å; S105-Q109 PolarHBondContact O-N 3.43Å; S105-Q109 VanDerWaalsContact O-N 3.14Å; Q109-Q112 PolarHBondContact O-N 3.11Å; Q109-G113 PolarHBondContact O-N 3.28Å |
| 110 | P | 88.6 | Confident | 93.6 | Very high | 64 Ų | 64 | 103.5 Ų | 103.5 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | -179.8 | 25.5 | -33.5 | 0 | 0 | 0 | 111.4 | Q106 A107 Q112 G113 E114 | Q106-P110 WeakPolarHBondContact O-CD 3.42Å; Q106-P110 VanDerWaalsContact O-CG 3.29Å; Q106-P110 WeakPolarHBondContact O-CG 3.44Å; A107-P110 WeakPolarHBondContact O-CD 3.29Å; P110-Q112 VanDerWaalsContact C-N 3.29Å; P110-Q112 PolarHBondContact O-N 2.88Å; P110-G113 PolarHBondContact O-N 3.5Å; P110-G113 VanDerWaalsContact O-N 3.09Å; P110-E114 WeakPolarHBondContact O-CG 3.02Å; P110-E114 PolarHBondContact O-N 2.88Å |
| 111 | L | 88.9 | Confident | 93.6 | Very high | 113 Ų | 113 | 103.5 Ų | 103.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 178 | -68.5 | 175.4 | 0 | 0 | 0 | 112.2 | A107 A115 | A107-L111 WeakPolarHBondContact O-CD1 3.46Å; A107-L111 WeakPolarHBondContact O-CG 3.23Å; L111-A115 WeakPolarHBondContact O-CB 3.29Å; L111-A115 PolarHBondContact O-N 3.36Å |
| 112 | Q | 91.7 | Very high | 93.7 | Very high | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.9 | -35.9 | 176.9 | -172.5 | 175.3 | 39.2 | 0 | 0 | 112 | V108 Q109 P110 R116 | V108-Q112 WeakPolarHBondContact O-CB 3.39Å; V108-Q112 PolarHBondContact O-N 2.85Å; Q109-Q112 PolarHBondContact O-N 3.11Å; P110-Q112 VanDerWaalsContact C-N 3.29Å; P110-Q112 PolarHBondContact O-N 2.88Å; Q112-R116 VanDerWaalsContact NE2-NH2 3.13Å; Q112-R116 VanDerWaalsContact O-CB 3.28Å; Q112-R116 WeakPolarHBondContact O-CB 3.4Å; Q112-R116 WeakPolarHBondContact O-CD 3.39Å; Q112-R116 WeakPolarHBondContact O-CG 3.37Å; Q112-R116 PolarHBondContact O-N 3.44Å; Q112-R116 VanDerWaalsContact O-N 3.11Å |
| 113 | G | 91.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 101.2 Ų | 101.2 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -56.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q109 P110 A115 R116 E117 | Q109-G113 PolarHBondContact O-N 3.28Å; P110-G113 PolarHBondContact O-N 3.5Å; P110-G113 VanDerWaalsContact O-N 3.09Å; G113-A115 PolarHBondContact O-N 3.46Å; G113-R116 PolarHBondContact O-N 3.29Å; G113-R116 VanDerWaalsContact O-N 3.12Å; G113-E117 WeakPolarHBondContact O-CG 3.48Å; G113-E117 PolarHBondContact O-N 3.47Å |
| 114 | E | 93.9 | Very high | 93.9 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.9 | -45.6 | 179.3 | -70.8 | 173.5 | -167.5 | 0 | 0 | 112 | P110 R116 E117 A118 | P110-E114 WeakPolarHBondContact O-CG 3.02Å; P110-E114 PolarHBondContact O-N 2.88Å; E114-R116 VanDerWaalsContact C-N 3.32Å; E114-R116 PolarHBondContact O-N 2.75Å; E114-E117 PolarHBondContact O-N 2.99Å; E114-A118 VanDerWaalsContact O-CB 3.24Å; E114-A118 WeakPolarHBondContact O-CB 3.38Å; E114-A118 PolarHBondContact O-N 2.81Å |
| 115 | A | 93 | Very high | 94.1 | Very high | 62 Ų | 62 | 95.2 Ų | 95.2 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L111 G113 A119 | L111-A115 WeakPolarHBondContact O-CB 3.29Å; L111-A115 PolarHBondContact O-N 3.36Å; G113-A115 PolarHBondContact O-N 3.46Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.43Å |
| 116 | R | 94.6 | Very high | 94.4 | Very high | 145 Ų | 145 | 96.9 Ų | 96.9 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 176.5 | -78.1 | 173 | 173.5 | 178.4 | -1.8 | 111.7 | Q112 G113 E114 A119 R120 | Q112-R116 VanDerWaalsContact NE2-NH2 3.13Å; Q112-R116 VanDerWaalsContact O-CB 3.28Å; Q112-R116 WeakPolarHBondContact O-CB 3.4Å; Q112-R116 WeakPolarHBondContact O-CD 3.39Å; Q112-R116 WeakPolarHBondContact O-CG 3.37Å; Q112-R116 PolarHBondContact O-N 3.44Å; Q112-R116 VanDerWaalsContact O-N 3.11Å; G113-R116 PolarHBondContact O-N 3.29Å; G113-R116 VanDerWaalsContact O-N 3.12Å; E114-R116 VanDerWaalsContact C-N 3.32Å; E114-R116 PolarHBondContact O-N 2.75Å; R116-A119 PolarHBondContact O-N 2.88Å; R116-R120 WeakPolarHBondContact O-CG 3.41Å; R116-R120 PolarHBondContact O-N 2.84Å |
| 117 | E | 96.1 | Very high | 94.7 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -46.9 | 176.8 | -72.5 | 178.9 | 178.2 | 0 | 0 | 111.2 | G113 E114 A119 R120 E121 | G113-E117 WeakPolarHBondContact O-CG 3.48Å; G113-E117 PolarHBondContact O-N 3.47Å; E114-E117 PolarHBondContact O-N 2.99Å; E117-A119 VanDerWaalsContact C-N 3.26Å; E117-A119 PolarHBondContact O-N 3.49Å; E117-R120 CarbonylContact O-C 3.59Å; E117-R120 WeakPolarHBondContact O-CA 3.34Å; E117-R120 WeakPolarHBondContact O-CB 3.49Å; E117-R120 PolarHBondContact O-N 3.25Å; E117-E121 WeakPolarHBondContact O-CG 3.39Å; E117-E121 PolarHBondContact O-N 3.05Å |
| 118 | A | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 103 Ų | 103 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E114 R122 | E114-A118 VanDerWaalsContact O-CB 3.24Å; E114-A118 WeakPolarHBondContact O-CB 3.38Å; E114-A118 PolarHBondContact O-N 2.81Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 WeakPolarHBondContact O-CD 3.42Å; A118-R122 WeakPolarHBondContact O-CG 3.45Å; A118-R122 PolarHBondContact O-N 2.8Å |
| 119 | A | 97.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A115 R116 E117 R122 A123 | A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.43Å; R116-A119 PolarHBondContact O-N 2.88Å; E117-A119 VanDerWaalsContact C-N 3.26Å; E117-A119 PolarHBondContact O-N 3.49Å; A119-R122 PolarHBondContact O-N 3.45Å; A119-A123 WeakPolarHBondContact O-CB 3.44Å; A119-A123 PolarHBondContact O-N 3.38Å |
| 120 | R | 97.8 | Very high | 95.9 | Very high | 166 Ų | 166 | 105.9 Ų | 105.9 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -49 | 175 | -74.6 | 173.5 | 178.4 | 177.5 | -1.5 | 111.7 | R116 E117 R122 A123 E124 | R116-R120 WeakPolarHBondContact O-CG 3.41Å; R116-R120 PolarHBondContact O-N 2.84Å; E117-R120 CarbonylContact O-C 3.59Å; E117-R120 WeakPolarHBondContact O-CA 3.34Å; E117-R120 WeakPolarHBondContact O-CB 3.49Å; E117-R120 PolarHBondContact O-N 3.25Å; R120-R122 VanDerWaalsContact C-N 3.29Å; R120-R122 PolarHBondContact O-N 3.45Å; R120-A123 WeakPolarHBondContact O-CB 3.27Å; R120-A123 PolarHBondContact O-N 3.29Å; R120-A123 VanDerWaalsContact O-N 3.1Å; R120-E124 WeakPolarHBondContact O-CG 3.37Å; R120-E124 PolarHBondContact O-N 3.35Å |
| 121 | E | 98.2 | Very high | 96.4 | Very high | 112 Ų | 112 | 107.3 Ų | 107.3 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 177.1 | -70.9 | -177.1 | 169.7 | 0 | 0 | 112.6 | E117 R125 | E117-E121 WeakPolarHBondContact O-CG 3.39Å; E117-E121 PolarHBondContact O-N 3.05Å; E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 VanDerWaalsContact O-CG 3.3Å; E121-R125 WeakPolarHBondContact O-CG 3.38Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 PolarHBondContact O-NE 3.26Å |
| 122 | R | 97.8 | Very high | 96.8 | Very high | 168 Ų | 168 | 106.8 Ų | 106.8 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -45.1 | 173.5 | -74.6 | 171.3 | -170.2 | -168.3 | 3.1 | 111.1 | A118 A119 R120 E124 R125 V126 | A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 WeakPolarHBondContact O-CD 3.42Å; A118-R122 WeakPolarHBondContact O-CG 3.45Å; A118-R122 PolarHBondContact O-N 2.8Å; A119-R122 PolarHBondContact O-N 3.45Å; R120-R122 VanDerWaalsContact C-N 3.29Å; R120-R122 PolarHBondContact O-N 3.45Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.27Å; R122-R125 PolarHBondContact O-N 3.49Å; R122-V126 WeakPolarHBondContact O-CG2 3.27Å; R122-V126 PolarHBondContact O-N 2.78Å |
| 123 | A | 97.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 105.2 Ų | 105.2 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A119 R120 V126 R127 | A119-A123 WeakPolarHBondContact O-CB 3.44Å; A119-A123 PolarHBondContact O-N 3.38Å; R120-A123 WeakPolarHBondContact O-CB 3.27Å; R120-A123 PolarHBondContact O-N 3.29Å; R120-A123 VanDerWaalsContact O-N 3.1Å; A123-V126 PolarHBondContact O-N 2.81Å; A123-R127 WeakPolarHBondContact O-CG 3.31Å; A123-R127 PolarHBondContact O-N 3.29Å |
| 124 | E | 98.4 | Very high | 97.4 | Very high | 93 Ų | 93 | 108.8 Ų | 108.8 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176 | -73.6 | 177.5 | -167.2 | 0 | 0 | 112.3 | R120 R122 V126 R127 R128 | R120-E124 WeakPolarHBondContact O-CG 3.37Å; R120-E124 PolarHBondContact O-N 3.35Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.27Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.37Å; E124-R127 PolarHBondContact O-N 2.98Å; E124-R128 WeakPolarHBondContact O-CG 3.44Å; E124-R128 PolarHBondContact O-N 2.97Å |
| 125 | R | 98.5 | Very high | 97.7 | Very high | 129 Ų | 129 | 110 Ų | 110 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 173.6 | -78.8 | -176.3 | -72.8 | -171.5 | -8.9 | 112.4 | E121 R122 R129 | E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 VanDerWaalsContact O-CG 3.3Å; E121-R125 WeakPolarHBondContact O-CG 3.38Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 PolarHBondContact O-NE 3.26Å; R122-R125 PolarHBondContact O-N 3.49Å; R125-R129 WeakPolarHBondContact O-CG 2.86Å; R125-R129 PolarHBondContact O-N 3.4Å; R125-R129 VanDerWaalsContact O-N 3.11Å |
| 126 | V | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 112.8 Ų | 112.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | R122 A123 E124 R129 L130 | R122-V126 WeakPolarHBondContact O-CG2 3.27Å; R122-V126 PolarHBondContact O-N 2.78Å; A123-V126 PolarHBondContact O-N 2.81Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.37Å; V126-R129 PolarHBondContact O-N 2.92Å; V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 PolarHBondContact O-N 3.48Å |
| 127 | R | 98.5 | Very high | 98.1 | Very high | 167 Ų | 167 | 112 Ų | 112 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 175.5 | -74.7 | 175.5 | 178.8 | 177.7 | -2 | 112.2 | A123 E124 R129 L130 E131 | A123-R127 WeakPolarHBondContact O-CG 3.31Å; A123-R127 PolarHBondContact O-N 3.29Å; E124-R127 PolarHBondContact O-N 2.98Å; R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 3.49Å; R127-L130 WeakPolarHBondContact O-CA 3.45Å; R127-L130 WeakPolarHBondContact O-CB 3.39Å; R127-L130 PolarHBondContact O-N 3.48Å; R127-E131 WeakPolarHBondContact O-CG 3.17Å; R127-E131 PolarHBondContact O-N 3.04Å |
| 128 | R | 98.6 | Very high | 98.2 | Very high | 148 Ų | 148 | 111.7 Ų | 111.7 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | 177 | -69.3 | -179.8 | -165 | 174 | 6.7 | 112.4 | E124 L130 E131 E132 | E124-R128 WeakPolarHBondContact O-CG 3.44Å; E124-R128 PolarHBondContact O-N 2.97Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 3.05Å; R128-E131 PolarHBondContact O-N 3.22Å; R128-E132 VanDerWaalsContact O-CG 3.32Å; R128-E132 WeakPolarHBondContact O-CG 3.24Å; R128-E132 PolarHBondContact O-N 3Å |
| 129 | R | 98.5 | Very high | 98.3 | Very high | 175 Ų | 175 | 114.2 Ų | 114.2 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -33.8 | 175.9 | -72.8 | 176.8 | -179.5 | 178 | -1 | 112.8 | R125 V126 R127 A133 | R125-R129 WeakPolarHBondContact O-CG 2.86Å; R125-R129 PolarHBondContact O-N 3.4Å; R125-R129 VanDerWaalsContact O-N 3.11Å; V126-R129 PolarHBondContact O-N 2.92Å; R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 3.49Å; R129-A133 WeakPolarHBondContact O-CB 3.32Å; R129-A133 PolarHBondContact O-N 3.48Å |
| 130 | L | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 117.2 Ų | 117.2 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -44.2 | 177.2 | -171.1 | 134.7 | 0 | 0 | 0 | 110.7 | V126 R127 R128 E132 A133 E134 | V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 PolarHBondContact O-N 3.48Å; R127-L130 WeakPolarHBondContact O-CA 3.45Å; R127-L130 WeakPolarHBondContact O-CB 3.39Å; R127-L130 PolarHBondContact O-N 3.48Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 3.05Å; L130-E132 VanDerWaalsContact C-N 3.34Å; L130-E132 PolarHBondContact O-N 3.26Å; L130-A133 PolarHBondContact O-N 3.15Å; L130-E134 HydrophobicContact CD2-CG 4.4Å; L130-E134 VanDerWaalsContact CD2-OE1 3.32Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.18Å; L130-E134 WeakPolarHBondContact O-CG 3.2Å; L130-E134 PolarHBondContact O-N 2.86Å |
| 131 | E | 98.5 | Very high | 98.4 | Very high | 94 Ų | 94 | 113.1 Ų | 113.1 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 173.3 | -69.1 | 167.8 | -164.5 | 0 | 0 | 112 | R127 R128 E134 R135 | R127-E131 WeakPolarHBondContact O-CG 3.17Å; R127-E131 PolarHBondContact O-N 3.04Å; R128-E131 PolarHBondContact O-N 3.22Å; E131-E134 PolarHBondContact O-N 2.86Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 2.96Å |
| 132 | E | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 112.9 Ų | 112.9 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.8 | -73.3 | 165.2 | -171.1 | 0 | 0 | 111.7 | R128 L130 R135 H136 | R128-E132 VanDerWaalsContact O-CG 3.32Å; R128-E132 WeakPolarHBondContact O-CG 3.24Å; R128-E132 PolarHBondContact O-N 3Å; L130-E132 VanDerWaalsContact C-N 3.34Å; L130-E132 PolarHBondContact O-N 3.26Å; E132-R135 PolarHBondContact O-N 2.71Å; E132-H136 PolarHBondContact O-CD2 3.39Å; E132-H136 PolarHBondContact O-N 3.43Å |
| 133 | A | 98.3 | Very high | 98.4 | Very high | 57 Ų | 57 | 111.2 Ų | 111.2 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R129 L130 H136 K137 | R129-A133 WeakPolarHBondContact O-CB 3.32Å; R129-A133 PolarHBondContact O-N 3.48Å; L130-A133 PolarHBondContact O-N 3.15Å; A133-H136 PolarHBondContact O-N 2.97Å; A133-K137 WeakPolarHBondContact O-CB 3.09Å; A133-K137 PolarHBondContact O-N 3.45Å |
| 134 | E | 98.4 | Very high | 98.4 | Very high | 103 Ų | 103 | 114 Ų | 114 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 174.3 | -76.8 | 176.2 | 168.9 | 0 | 0 | 111.2 | L130 E131 H136 K137 E138 | L130-E134 HydrophobicContact CD2-CG 4.4Å; L130-E134 VanDerWaalsContact CD2-OE1 3.32Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.18Å; L130-E134 WeakPolarHBondContact O-CG 3.2Å; L130-E134 PolarHBondContact O-N 2.86Å; E131-E134 PolarHBondContact O-N 2.86Å; E134-H136 PolarHBondContact O-N 3.01Å; E134-K137 WeakPolarHBondContact O-CB 3.26Å; E134-K137 PolarHBondContact O-N 2.88Å; E134-K137 VanDerWaalsContact O-N 3.1Å; E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 3.36Å |
| 135 | R | 98.4 | Very high | 98.4 | Very high | 151 Ų | 151 | 117 Ų | 117 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.6 | -46.2 | 174 | -70.2 | 175 | -171.7 | 159.7 | 7.2 | 112 | E131 E132 K137 E138 D139 | E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 2.96Å; E132-R135 PolarHBondContact O-N 2.71Å; R135-K137 VanDerWaalsContact C-N 3.25Å; R135-K137 PolarHBondContact O-N 2.95Å; R135-E138 WeakPolarHBondContact O-CB 3.46Å; R135-E138 PolarHBondContact O-N 3.49Å; R135-E138 VanDerWaalsContact O-N 3.12Å; R135-D139 VanDerWaalsContact O-CG 3.29Å; R135-D139 PolarHBondContact O-N 3.03Å |
| 136 | H | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 115.8 Ų | 115.8 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -34.5 | 176.4 | -75.3 | -42.4 | 0 | 0 | 0 | 113.1 | E132 A133 E134 D139 L140 | E132-H136 PolarHBondContact O-CD2 3.39Å; E132-H136 PolarHBondContact O-N 3.43Å; A133-H136 PolarHBondContact O-N 2.97Å; E134-H136 PolarHBondContact O-N 3.01Å; H136-D139 IonicContact ND1-OD2 3.67Å; H136-L140 WeakPolarHBondContact O-CB 3.33Å; H136-L140 VanDerWaalsContact O-CG 3.28Å; H136-L140 WeakPolarHBondContact O-CG 3.35Å; H136-L140 PolarHBondContact O-N 3.24Å; H136-L140 VanDerWaalsContact O-N 3.07Å |
| 137 | K | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 115.5 Ų | 115.5 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 173.5 | -178.9 | -171 | 160.9 | -165.8 | 0 | 110.6 | A133 E134 R135 D139 L140 E141 | A133-K137 WeakPolarHBondContact O-CB 3.09Å; A133-K137 PolarHBondContact O-N 3.45Å; E134-K137 WeakPolarHBondContact O-CB 3.26Å; E134-K137 PolarHBondContact O-N 2.88Å; E134-K137 VanDerWaalsContact O-N 3.1Å; R135-K137 VanDerWaalsContact C-N 3.25Å; R135-K137 PolarHBondContact O-N 2.95Å; K137-D139 VanDerWaalsContact C-N 3.34Å; K137-D139 PolarHBondContact O-N 3.36Å; K137-L140 PolarHBondContact O-N 2.99Å; K137-E141 WeakPolarHBondContact CE-OE1 3.11Å; K137-E141 IonicContact NZ-OE1 3.99Å; K137-E141 WeakPolarHBondContact O-CG 3.42Å; K137-E141 PolarHBondContact O-N 3.2Å |
| 138 | E | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 111.9 Ų | 111.9 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.6 | -69.6 | 173.4 | 174.8 | 0 | 0 | 111.7 | E134 R135 L140 E141 Q142 | E134-E138 WeakPolarHBondContact O-CG 3.2Å; E134-E138 PolarHBondContact O-N 3.36Å; R135-E138 WeakPolarHBondContact O-CB 3.46Å; R135-E138 PolarHBondContact O-N 3.49Å; R135-E138 VanDerWaalsContact O-N 3.12Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.98Å; E138-E141 PolarHBondContact O-N 3.37Å; E138-Q142 WeakPolarHBondContact O-CG 3.48Å; E138-Q142 PolarHBondContact O-N 2.78Å |
| 139 | D | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.5 | -65.9 | -25.2 | 0 | 0 | 0 | 111.6 | R135 H136 K137 Q142 Y143 | R135-D139 VanDerWaalsContact O-CG 3.29Å; R135-D139 PolarHBondContact O-N 3.03Å; H136-D139 IonicContact ND1-OD2 3.67Å; K137-D139 VanDerWaalsContact C-N 3.34Å; K137-D139 PolarHBondContact O-N 3.36Å; D139-Q142 PolarHBondContact O-N 3.39Å; D139-Y143 PolarHBondContact O-N 3.48Å |
| 140 | L | 98.4 | Very high | 98.3 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -37.8 | 176.9 | -74.3 | 173.2 | 0 | 0 | 0 | 112.1 | H136 K137 E138 Q142 Y143 N144 | H136-L140 WeakPolarHBondContact O-CB 3.33Å; H136-L140 VanDerWaalsContact O-CG 3.28Å; H136-L140 WeakPolarHBondContact O-CG 3.35Å; H136-L140 PolarHBondContact O-N 3.24Å; H136-L140 VanDerWaalsContact O-N 3.07Å; K137-L140 PolarHBondContact O-N 2.99Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.98Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Y143 PolarHBondContact O-N 3.48Å; L140-N144 VanDerWaalsContact O-CB 3.31Å; L140-N144 WeakPolarHBondContact O-CB 3.16Å; L140-N144 PolarHBondContact O-N 2.82Å |
| 141 | E | 98.4 | Very high | 98.2 | Very high | 80 Ų | 80 | 108.6 Ų | 108.6 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 174.5 | -75 | -179.4 | -177.6 | 0 | 0 | 111.4 | K137 E138 N144 R145 | K137-E141 WeakPolarHBondContact CE-OE1 3.11Å; K137-E141 IonicContact NZ-OE1 3.99Å; K137-E141 WeakPolarHBondContact O-CG 3.42Å; K137-E141 PolarHBondContact O-N 3.2Å; E138-E141 PolarHBondContact O-N 3.37Å; E141-N144 PolarHBondContact O-N 3.36Å; E141-R145 WeakPolarHBondContact O-CG 3.46Å; E141-R145 PolarHBondContact O-N 2.83Å |
| 142 | Q | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 174.4 | -70 | 174.9 | 24.3 | 0 | 0 | 111.6 | E138 D139 L140 N144 R145 Q146 | E138-Q142 WeakPolarHBondContact O-CG 3.48Å; E138-Q142 PolarHBondContact O-N 2.78Å; D139-Q142 PolarHBondContact O-N 3.39Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-N144 VanDerWaalsContact C-N 3.27Å; Q142-N144 PolarHBondContact O-N 3.34Å; Q142-R145 PolarHBondContact O-N 2.91Å; Q142-Q146 WeakPolarHBondContact O-CG 3.41Å; Q142-Q146 PolarHBondContact O-N 2.97Å |
| 143 | Y | 98.3 | Very high | 98 | Very high | 133 Ų | 133 | 109 Ų | 109 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.1 | -178.3 | -109.2 | 0 | 0 | 0 | 112.2 | D139 L140 Q146 L147 | D139-Y143 PolarHBondContact O-N 3.48Å; L140-Y143 PolarHBondContact O-N 3.48Å; Y143-Q146 PolarHBondContact O-N 2.85Å; Y143-L147 HydrophobicContact CD1-CD1 3.9Å; Y143-L147 HydrophobicContact CD1-CG 4.41Å; Y143-L147 HydrophobicContact CE1-CD1 3.32Å; Y143-L147 HydrophobicContact CE1-CG 3.95Å; Y143-L147 HydrophobicContact CE2-CG 4.38Å; Y143-L147 PolarHBondContact O-N 3.36Å |
| 144 | N | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 110.7 Ų | 110.7 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 176 | -165.7 | -81.3 | 0 | 0 | 0 | 111.8 | L140 E141 Q142 Q146 L147 Q148 | L140-N144 VanDerWaalsContact O-CB 3.31Å; L140-N144 WeakPolarHBondContact O-CB 3.16Å; L140-N144 PolarHBondContact O-N 2.82Å; E141-N144 PolarHBondContact O-N 3.36Å; Q142-N144 VanDerWaalsContact C-N 3.27Å; Q142-N144 PolarHBondContact O-N 3.34Å; N144-Q146 PolarHBondContact O-N 2.96Å; N144-L147 PolarHBondContact O-N 2.92Å; N144-Q148 WeakPolarHBondContact O-CB 3.49Å; N144-Q148 PolarHBondContact O-N 2.81Å |
| 145 | R | 98.2 | Very high | 97.7 | Very high | 156 Ų | 156 | 107.8 Ų | 107.8 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 173.6 | -69.9 | 177 | -157.3 | 179.8 | 7.6 | 111.8 | E141 Q142 L147 Q148 E149 | E141-R145 WeakPolarHBondContact O-CG 3.46Å; E141-R145 PolarHBondContact O-N 2.83Å; Q142-R145 PolarHBondContact O-N 2.91Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.89Å; R145-Q148 WeakPolarHBondContact O-CB 3.25Å; R145-Q148 PolarHBondContact O-N 3.32Å; R145-Q148 VanDerWaalsContact O-N 3.11Å; R145-E149 WeakPolarHBondContact O-CG 3.47Å; R145-E149 PolarHBondContact O-N 2.72Å |
| 146 | Q | 98.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.1 | -70.9 | 172.4 | -6.4 | 0 | 0 | 111.8 | Q142 Y143 N144 Q148 E149 Q150 | Q142-Q146 WeakPolarHBondContact O-CG 3.41Å; Q142-Q146 PolarHBondContact O-N 2.97Å; Y143-Q146 PolarHBondContact O-N 2.85Å; N144-Q146 PolarHBondContact O-N 2.96Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 2.82Å; Q146-E149 PolarHBondContact O-N 3.19Å; Q146-Q150 WeakPolarHBondContact O-CB 3.36Å; Q146-Q150 VanDerWaalsContact O-CG 3.27Å; Q146-Q150 WeakPolarHBondContact O-CG 3.31Å; Q146-Q150 PolarHBondContact O-N 3.4Å |
| 147 | L | 98.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 175 | -79.2 | 177.6 | 0 | 0 | 0 | 112.3 | Y143 N144 R145 Q150 W151 | Y143-L147 HydrophobicContact CD1-CD1 3.9Å; Y143-L147 HydrophobicContact CD1-CG 4.41Å; Y143-L147 HydrophobicContact CE1-CD1 3.32Å; Y143-L147 HydrophobicContact CE1-CG 3.95Å; Y143-L147 HydrophobicContact CE2-CG 4.38Å; Y143-L147 PolarHBondContact O-N 3.36Å; N144-L147 PolarHBondContact O-N 2.92Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.89Å; L147-Q150 PolarHBondContact O-N 2.8Å; L147-W151 WeakPolarHBondContact O-CB 3.46Å; L147-W151 PolarHBondContact O-N 2.85Å |
| 148 | Q | 97.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 100.8 Ų | 100.8 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.4 | -170.5 | 66.9 | 13.8 | 0 | 0 | 111 | N144 R145 Q146 W151 E152 | N144-Q148 WeakPolarHBondContact O-CB 3.49Å; N144-Q148 PolarHBondContact O-N 2.81Å; R145-Q148 WeakPolarHBondContact O-CB 3.25Å; R145-Q148 PolarHBondContact O-N 3.32Å; R145-Q148 VanDerWaalsContact O-N 3.11Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 2.82Å; Q148-W151 PolarHBondContact O-N 3.47Å; Q148-E152 WeakPolarHBondContact O-CG 3.21Å; Q148-E152 PolarHBondContact O-N 2.91Å |
| 149 | E | 97.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.7 | -70.9 | 166.8 | -175 | 0 | 0 | 111.1 | R145 Q146 W151 E152 E153 | R145-E149 WeakPolarHBondContact O-CG 3.47Å; R145-E149 PolarHBondContact O-N 2.72Å; Q146-E149 PolarHBondContact O-N 3.19Å; E149-W151 VanDerWaalsContact C-N 3.28Å; E149-W151 PolarHBondContact O-N 2.92Å; E149-E152 PolarHBondContact O-N 3.48Å; E149-E152 VanDerWaalsContact O-N 3.13Å; E149-E153 WeakPolarHBondContact O-CG 3.17Å; E149-E153 PolarHBondContact O-N 2.71Å |
| 150 | Q | 97.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 107.4 Ų | 107.4 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 175.4 | -73 | -62.3 | -67.5 | 0 | 0 | 112.2 | Q146 L147 E153 L154 | Q146-Q150 WeakPolarHBondContact O-CB 3.36Å; Q146-Q150 VanDerWaalsContact O-CG 3.27Å; Q146-Q150 WeakPolarHBondContact O-CG 3.31Å; Q146-Q150 PolarHBondContact O-N 3.4Å; L147-Q150 PolarHBondContact O-N 2.8Å; Q150-E153 PolarHBondContact NE2-OE2 2.92Å; Q150-L154 WeakPolarHBondContact O-CB 2.93Å; Q150-L154 WeakPolarHBondContact O-CG 3.41Å; Q150-L154 PolarHBondContact O-N 2.88Å |
| 151 | W | 97.1 | Very high | 94.4 | Very high | 143 Ų | 143 | 108.7 Ų | 108.7 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -49.8 | 172.7 | 179.9 | -164.9 | 0 | 0 | 0 | 109.7 | L147 Q148 E149 E153 L154 S155 | L147-W151 WeakPolarHBondContact O-CB 3.46Å; L147-W151 PolarHBondContact O-N 2.85Å; Q148-W151 PolarHBondContact O-N 3.47Å; E149-W151 VanDerWaalsContact C-N 3.28Å; E149-W151 PolarHBondContact O-N 2.92Å; W151-E153 VanDerWaalsContact C-N 3.27Å; W151-E153 PolarHBondContact O-N 2.98Å; W151-L154 HydrophobicContact CE3-CB 4.23Å; W151-L154 PolarHBondContact O-N 2.89Å; W151-L154 VanDerWaalsContact O-N 3.14Å; W151-S155 VanDerWaalsContact CZ3-N 3.31Å; W151-S155 VanDerWaalsContact O-CB 3.29Å; W151-S155 WeakPolarHBondContact O-CB 3.25Å; W151-S155 PolarHBondContact O-N 3.12Å |
| 152 | E | 97 | Very high | 93.4 | Very high | 113 Ų | 113 | 106.1 Ų | 106.1 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.1 | -40.5 | 177.5 | -73.6 | 174.3 | -166.8 | 0 | 0 | 112.6 | Q148 E149 S155 S156 | Q148-E152 WeakPolarHBondContact O-CG 3.21Å; Q148-E152 PolarHBondContact O-N 2.91Å; E149-E152 PolarHBondContact O-N 3.48Å; E149-E152 VanDerWaalsContact O-N 3.13Å; E152-S155 WeakPolarHBondContact CA-OG 3.3Å; E152-S155 WeakPolarHBondContact O-CB 3.43Å; E152-S155 PolarHBondContact O-N 3.35Å; E152-S155 PolarHBondContact O-OG 3.25Å; E152-S156 WeakPolarHBondContact O-CB 2.97Å; E152-S156 PolarHBondContact O-N 3.48Å |
| 153 | E | 96.1 | Very high | 91.9 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -53.2 | 173.2 | -73.9 | 175.4 | -177.5 | 0 | 0 | 112.3 | E149 Q150 W151 S155 S156 Q157 | E149-E153 WeakPolarHBondContact O-CG 3.17Å; E149-E153 PolarHBondContact O-N 2.71Å; Q150-E153 PolarHBondContact NE2-OE2 2.92Å; W151-E153 VanDerWaalsContact C-N 3.27Å; W151-E153 PolarHBondContact O-N 2.98Å; E153-S155 PolarHBondContact O-N 3.44Å; E153-S156 PolarHBondContact O-N 3.1Å; E153-S156 VanDerWaalsContact O-N 3.15Å; E153-S156 PolarHBondContact O-OG 3.32Å; E153-Q157 WeakPolarHBondContact O-CG 3.32Å; E153-Q157 PolarHBondContact O-N 3.3Å |
| 154 | L | 95.3 | Very high | 90.2 | Very high | 92 Ų | 92 | 102.2 Ų | 102.2 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 177.5 | -69.7 | 175.2 | 0 | 0 | 0 | 111.9 | Q150 W151 S156 Q157 L158 | Q150-L154 WeakPolarHBondContact O-CB 2.93Å; Q150-L154 WeakPolarHBondContact O-CG 3.41Å; Q150-L154 PolarHBondContact O-N 2.88Å; W151-L154 HydrophobicContact CE3-CB 4.23Å; W151-L154 PolarHBondContact O-N 2.89Å; W151-L154 VanDerWaalsContact O-N 3.14Å; L154-S156 VanDerWaalsContact C-N 3.35Å; L154-Q157 PolarHBondContact O-N 2.94Å; L154-L158 WeakPolarHBondContact O-CB 2.84Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.24Å |
| 155 | S | 93.2 | Very high | 88.4 | Confident | 42 Ų | 42 | 102 Ų | 102 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.8 | 87.3 | 0 | 0 | 0 | 0 | 110.9 | W151 E152 E153 L158 F159 | W151-S155 VanDerWaalsContact CZ3-N 3.31Å; W151-S155 VanDerWaalsContact O-CB 3.29Å; W151-S155 WeakPolarHBondContact O-CB 3.25Å; W151-S155 PolarHBondContact O-N 3.12Å; E152-S155 WeakPolarHBondContact CA-OG 3.3Å; E152-S155 WeakPolarHBondContact O-CB 3.43Å; E152-S155 PolarHBondContact O-N 3.35Å; E152-S155 PolarHBondContact O-OG 3.25Å; E153-S155 PolarHBondContact O-N 3.44Å; S155-L158 PolarHBondContact O-N 2.89Å; S155-F159 WeakPolarHBondContact O-CB 3.32Å; S155-F159 PolarHBondContact O-N 3.07Å |
| 156 | S | 91.6 | Very high | 86.8 | Confident | 48 Ų | 48 | 101.7 Ų | 101.7 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 178.3 | 75.2 | 0 | 0 | 0 | 0 | 110.3 | E152 E153 L154 L158 F159 Y160 | E152-S156 WeakPolarHBondContact O-CB 2.97Å; E152-S156 PolarHBondContact O-N 3.48Å; E153-S156 PolarHBondContact O-N 3.1Å; E153-S156 VanDerWaalsContact O-N 3.15Å; E153-S156 PolarHBondContact O-OG 3.32Å; L154-S156 VanDerWaalsContact C-N 3.35Å; S156-L158 PolarHBondContact O-N 2.95Å; S156-F159 WeakPolarHBondContact O-CB 3.38Å; S156-F159 PolarHBondContact O-N 2.95Å; S156-F159 VanDerWaalsContact O-N 3.14Å; S156-Y160 WeakPolarHBondContact O-CD2 3.18Å; S156-Y160 PolarHBondContact O-N 3.08Å |
| 157 | Q | 92.9 | Very high | 85.2 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.6 | -69.5 | 175.4 | 25.6 | 0 | 0 | 111.4 | E153 L154 F159 Y160 Y161 | E153-Q157 WeakPolarHBondContact O-CG 3.32Å; E153-Q157 PolarHBondContact O-N 3.3Å; L154-Q157 PolarHBondContact O-N 2.94Å; Q157-F159 VanDerWaalsContact C-N 3.28Å; Q157-F159 PolarHBondContact O-N 2.89Å; Q157-Y160 PolarHBondContact O-N 3.01Å; Q157-Y161 HydrophobicContact CB-CD2 4.41Å; Q157-Y161 WeakPolarHBondContact O-CB 3.42Å; Q157-Y161 VanDerWaalsContact O-CD2 3.29Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.38Å; Q157-Y161 PolarHBondContact O-N 3.36Å |
| 158 | L | 89.9 | Confident | 83.8 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -34.5 | 174.6 | -79.7 | 169.9 | 0 | 0 | 0 | 112.4 | L154 S155 S156 G162 | L154-L158 WeakPolarHBondContact O-CB 2.84Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.24Å; S155-L158 PolarHBondContact O-N 2.89Å; S156-L158 PolarHBondContact O-N 2.95Å; L158-G162 WeakPolarHBondContact O-CA 3.31Å; L158-G162 PolarHBondContact O-N 3.45Å |
| 159 | F | 88.7 | Confident | 82.7 | Confident | 162 Ų | 162 | 102.5 Ų | 102.5 | 71% | 0.711 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -46.8 | 176.7 | -178.1 | -98.7 | 0 | 0 | 0 | 111.6 | S155 S156 Q157 | S155-F159 WeakPolarHBondContact O-CB 3.32Å; S155-F159 PolarHBondContact O-N 3.07Å; S156-F159 WeakPolarHBondContact O-CB 3.38Å; S156-F159 PolarHBondContact O-N 2.95Å; S156-F159 VanDerWaalsContact O-N 3.14Å; Q157-F159 VanDerWaalsContact C-N 3.28Å; Q157-F159 PolarHBondContact O-N 2.89Å |
| 160 | Y | 81.6 | Confident | 81.6 | Confident | 174 Ų | 174 | 99.9 Ų | 99.9 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.7 | -44.7 | -178.9 | -71.7 | -66.9 | 0 | 0 | 0 | 112.8 | S156 Q157 | S156-Y160 WeakPolarHBondContact O-CD2 3.18Å; S156-Y160 PolarHBondContact O-N 3.08Å; Q157-Y160 PolarHBondContact O-N 3.01Å |
| 161 | Y | 77.4 | Confident | 80.5 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 57% | 0.569 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -88.6 | -12.2 | -179.8 | -64.3 | -72 | 0 | 0 | 0 | 113.4 | Q157 G163 E164 Q165 | Q157-Y161 HydrophobicContact CB-CD2 4.41Å; Q157-Y161 WeakPolarHBondContact O-CB 3.42Å; Q157-Y161 VanDerWaalsContact O-CD2 3.29Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.38Å; Q157-Y161 PolarHBondContact O-N 3.36Å; Y161-G163 VanDerWaalsContact C-N 3.25Å; Y161-G163 PolarHBondContact O-N 3.22Å; Y161-E164 WeakPolarHBondContact O-CB 3.46Å; Y161-E164 PolarHBondContact O-N 3.4Å; Y161-E164 VanDerWaalsContact O-N 3.11Å; Y161-Q165 PolarHBondContact O-N 2.85Å |
| 162 | G | 76.7 | Confident | 79.8 | Confident | 26 Ų | 26 | 97.1 Ų | 97.1 | 27% | 0.268 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -28.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L158 E164 Q165 | L158-G162 WeakPolarHBondContact O-CA 3.31Å; L158-G162 PolarHBondContact O-N 3.45Å; G162-E164 VanDerWaalsContact C-N 3.31Å; G162-E164 PolarHBondContact O-N 3.02Å; G162-Q165 PolarHBondContact O-N 3.39Å |
| 163 | G | 67.1 | Low | 79.2 | Confident | 47 Ų | 47 | 98.4 Ų | 98.4 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Y161 Q165 Q166 S167 | Y161-G163 VanDerWaalsContact C-N 3.25Å; Y161-G163 PolarHBondContact O-N 3.22Å; G163-Q165 VanDerWaalsContact C-N 3.35Å; G163-Q166 PolarHBondContact O-N 3.19Å; G163-S167 PolarHBondContact O-N 2.88Å |
| 164 | E | 62.5 | Low | 78.7 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 176.7 | -62.6 | -174.4 | 162 | 0 | 0 | 111.7 | Y161 G162 Q166 S167 Q168 | Y161-E164 WeakPolarHBondContact O-CB 3.46Å; Y161-E164 PolarHBondContact O-N 3.4Å; Y161-E164 VanDerWaalsContact O-N 3.11Å; G162-E164 VanDerWaalsContact C-N 3.31Å; G162-E164 PolarHBondContact O-N 3.02Å; E164-Q166 PolarHBondContact O-N 3.43Å; E164-S167 PolarHBondContact O-N 3.01Å; E164-Q168 WeakPolarHBondContact O-CB 3.46Å; E164-Q168 WeakPolarHBondContact O-CG 3.11Å; E164-Q168 PolarHBondContact O-N 3.18Å |
| 165 | Q | 62.1 | Low | 78.3 | Confident | 100 Ų | 100 | 99.6 Ų | 99.6 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -29.2 | 173.2 | -68.3 | -167.3 | 4.9 | 0 | 0 | 112.8 | Y161 G162 G163 K169 | Y161-Q165 PolarHBondContact O-N 2.85Å; G162-Q165 PolarHBondContact O-N 3.39Å; G163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-K169 WeakPolarHBondContact O-CB 3.19Å; Q165-K169 VanDerWaalsContact O-CG 3.23Å; Q165-K169 WeakPolarHBondContact O-CG 3.37Å; Q165-K169 PolarHBondContact O-N 3.46Å |
| 166 | Q | 63.1 | Low | 78.2 | Confident | 148 Ų | 148 | 100 Ų | 100 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -77.4 | -36 | 178.7 | -149.4 | 154.6 | 14.6 | 0 | 0 | 111.4 | G163 E164 S170 | G163-Q166 PolarHBondContact O-N 3.19Å; E164-Q166 PolarHBondContact O-N 3.43Å; Q166-S170 WeakPolarHBondContact O-CB 3.37Å; Q166-S170 PolarHBondContact O-N 3.48Å |
| 167 | S | 64.9 | Low | 78.1 | Confident | 76 Ų | 76 | 100.4 Ų | 100.4 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 167.3 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | G163 E164 S170 T171 | G163-S167 PolarHBondContact O-N 2.88Å; E164-S167 PolarHBondContact O-N 3.01Å; S167-S170 WeakPolarHBondContact O-CB 3.37Å; S167-S170 PolarHBondContact O-N 3.03Å; S167-T171 WeakPolarHBondContact O-CG2 3.13Å; S167-T171 PolarHBondContact O-N 3.44Å; S167-T171 PolarHBondContact O-OG1 2.99Å |
| 168 | Q | 69.6 | Low | 78.1 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.1 | -75.4 | 173.9 | 1.8 | 0 | 0 | 111.8 | E164 S170 T171 E172 | E164-Q168 WeakPolarHBondContact O-CB 3.46Å; E164-Q168 WeakPolarHBondContact O-CG 3.11Å; E164-Q168 PolarHBondContact O-N 3.18Å; Q168-S170 VanDerWaalsContact C-N 3.29Å; Q168-S170 PolarHBondContact O-N 3.12Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.5Å; Q168-T171 CarbonylContact O-C 3.59Å; Q168-T171 PolarHBondContact O-N 2.91Å; Q168-T171 PolarHBondContact O-OG1 3.44Å; Q168-E172 WeakPolarHBondContact O-CB 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.18Å; Q168-E172 PolarHBondContact O-N 3.04Å |
| 169 | K | 73.5 | Confident | 78.2 | Confident | 114 Ų | 114 | 101.6 Ų | 101.6 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 173.7 | -76.8 | 172.4 | -176.4 | 174.4 | 0 | 112.4 | Q165 E172 Q173 | Q165-K169 WeakPolarHBondContact O-CB 3.19Å; Q165-K169 VanDerWaalsContact O-CG 3.23Å; Q165-K169 WeakPolarHBondContact O-CG 3.37Å; Q165-K169 PolarHBondContact O-N 3.46Å; K169-E172 PolarHBondContact O-N 3.41Å; K169-Q173 WeakPolarHBondContact O-CB 3.47Å; K169-Q173 WeakPolarHBondContact O-CG 3.16Å; K169-Q173 PolarHBondContact O-N 2.85Å |
| 170 | S | 75.1 | Confident | 78.5 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | Q166 S167 Q168 Q174 | Q166-S170 WeakPolarHBondContact O-CB 3.37Å; Q166-S170 PolarHBondContact O-N 3.48Å; S167-S170 WeakPolarHBondContact O-CB 3.37Å; S167-S170 PolarHBondContact O-N 3.03Å; Q168-S170 VanDerWaalsContact C-N 3.29Å; Q168-S170 PolarHBondContact O-N 3.12Å; S170-Q174 WeakPolarHBondContact O-CG 3.32Å; S170-Q174 PolarHBondContact O-N 3.25Å |
| 171 | T | 74.6 | Confident | 79.1 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 176.2 | 56 | 0 | 0 | 0 | 0 | 112.4 | S167 Q168 Q174 L175 | S167-T171 WeakPolarHBondContact O-CG2 3.13Å; S167-T171 PolarHBondContact O-N 3.44Å; S167-T171 PolarHBondContact O-OG1 2.99Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.5Å; Q168-T171 CarbonylContact O-C 3.59Å; Q168-T171 PolarHBondContact O-N 2.91Å; Q168-T171 PolarHBondContact O-OG1 3.44Å; T171-Q174 PolarHBondContact O-N 3.37Å; T171-L175 WeakPolarHBondContact O-CB 3.44Å; T171-L175 WeakPolarHBondContact O-CG 3.28Å; T171-L175 PolarHBondContact O-N 3.4Å |
| 172 | E | 82.8 | Confident | 79.8 | Confident | 121 Ų | 121 | 90.9 Ų | 90.9 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 173.5 | -74.4 | 176.3 | 172.6 | 0 | 0 | 110.9 | Q168 K169 L175 A176 | Q168-E172 WeakPolarHBondContact O-CB 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.18Å; Q168-E172 PolarHBondContact O-N 3.04Å; K169-E172 PolarHBondContact O-N 3.41Å; E172-L175 PolarHBondContact O-N 3.03Å; E172-A176 VanDerWaalsContact O-CB 3.3Å; E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 2.77Å |
| 173 | Q | 85.1 | Confident | 80.7 | Confident | 139 Ų | 139 | 95 Ų | 95 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 173.2 | -75.6 | 172.4 | 5.5 | 0 | 0 | 112.1 | K169 A176 A177 | K169-Q173 WeakPolarHBondContact O-CB 3.47Å; K169-Q173 WeakPolarHBondContact O-CG 3.16Å; K169-Q173 PolarHBondContact O-N 2.85Å; Q173-A176 PolarHBondContact O-N 3.38Å; Q173-A177 WeakPolarHBondContact O-CB 3.34Å; Q173-A177 PolarHBondContact O-N 3.05Å |
| 174 | Q | 85.3 | Confident | 82 | Confident | 113 Ų | 113 | 96.9 Ų | 96.9 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.2 | -77.7 | 174.1 | -12.1 | 0 | 0 | 112.3 | S170 T171 A177 Q178 | S170-Q174 WeakPolarHBondContact O-CG 3.32Å; S170-Q174 PolarHBondContact O-N 3.25Å; T171-Q174 PolarHBondContact O-N 3.37Å; Q174-A177 PolarHBondContact O-N 3.38Å; Q174-Q178 WeakPolarHBondContact O-CG 3.45Å; Q174-Q178 PolarHBondContact O-N 2.95Å |
| 175 | L | 87.8 | Confident | 83.5 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 175 | -72.9 | 170.2 | 0 | 0 | 0 | 111.6 | T171 E172 A177 Q178 L179 | T171-L175 WeakPolarHBondContact O-CB 3.44Å; T171-L175 WeakPolarHBondContact O-CG 3.28Å; T171-L175 PolarHBondContact O-N 3.4Å; E172-L175 PolarHBondContact O-N 3.03Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 2.89Å; L175-Q178 PolarHBondContact O-N 3.33Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.26Å |
| 176 | A | 89.7 | Confident | 85 | Confident | 50 Ų | 50 | 97.7 Ų | 97.7 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E172 Q173 L179 V180 | E172-A176 VanDerWaalsContact O-CB 3.3Å; E172-A176 WeakPolarHBondContact O-CB 3.46Å; E172-A176 PolarHBondContact O-N 2.77Å; Q173-A176 PolarHBondContact O-N 3.38Å; A176-L179 PolarHBondContact O-N 3.15Å; A176-V180 WeakPolarHBondContact O-CG2 3.28Å; A176-V180 PolarHBondContact O-N 3.03Å; A176-V180 VanDerWaalsContact O-N 3.08Å |
| 177 | A | 90.4 | Very high | 86.5 | Confident | 57 Ų | 57 | 95.2 Ų | 95.2 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Q173 Q174 L175 V180 T181 | Q173-A177 WeakPolarHBondContact O-CB 3.34Å; Q173-A177 PolarHBondContact O-N 3.05Å; Q174-A177 PolarHBondContact O-N 3.38Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 2.89Å; A177-V180 PolarHBondContact O-N 3.31Å; A177-T181 WeakPolarHBondContact O-CG2 3.49Å; A177-T181 PolarHBondContact O-N 3.23Å; A177-T181 PolarHBondContact O-OG1 2.9Å |
| 178 | Q | 91.8 | Very high | 87.8 | Confident | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.3 | -74.5 | 177.1 | 4.9 | 0 | 0 | 112.5 | Q174 L175 V180 T181 L182 | Q174-Q178 WeakPolarHBondContact O-CG 3.45Å; Q174-Q178 PolarHBondContact O-N 2.95Å; L175-Q178 PolarHBondContact O-N 3.33Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; Q178-V180 PolarHBondContact O-N 2.91Å; Q178-T181 VanDerWaalsContact CA-OG1 3.3Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.34Å; Q178-T181 PolarHBondContact O-N 3.37Å; Q178-T181 PolarHBondContact O-OG1 2.93Å; Q178-L182 WeakPolarHBondContact O-CG 3.25Å; Q178-L182 PolarHBondContact O-N 3.11Å |
| 179 | L | 92.7 | Very high | 88.8 | Confident | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 175.6 | -74.7 | 171.6 | 0 | 0 | 0 | 111.7 | L175 A176 T181 L182 Q183 | L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.26Å; A176-L179 PolarHBondContact O-N 3.15Å; L179-T181 VanDerWaalsContact C-N 3.35Å; L179-T181 PolarHBondContact O-N 3Å; L179-L182 PolarHBondContact O-N 3.36Å; L179-Q183 WeakPolarHBondContact O-CB 3.41Å; L179-Q183 PolarHBondContact O-N 2.76Å |
| 180 | V | 94.7 | Very high | 89.7 | Confident | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 175 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | A176 A177 Q178 Q183 N184 | A176-V180 WeakPolarHBondContact O-CG2 3.28Å; A176-V180 PolarHBondContact O-N 3.03Å; A176-V180 VanDerWaalsContact O-N 3.08Å; A177-V180 PolarHBondContact O-N 3.31Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; Q178-V180 PolarHBondContact O-N 2.91Å; V180-Q183 PolarHBondContact O-N 2.93Å; V180-N184 VanDerWaalsContact O-CG 3.28Å; V180-N184 PolarHBondContact O-N 3.43Å; V180-N184 PolarHBondContact O-ND2 3.24Å |
| 181 | T | 93.4 | Very high | 90.4 | Very high | 75 Ų | 75 | 94.5 Ų | 94.5 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | A177 Q178 L179 Q183 N184 E185 | A177-T181 WeakPolarHBondContact O-CG2 3.49Å; A177-T181 PolarHBondContact O-N 3.23Å; A177-T181 PolarHBondContact O-OG1 2.9Å; Q178-T181 VanDerWaalsContact CA-OG1 3.3Å; Q178-T181 WeakPolarHBondContact CA-OG1 3.34Å; Q178-T181 PolarHBondContact O-N 3.37Å; Q178-T181 PolarHBondContact O-OG1 2.93Å; L179-T181 VanDerWaalsContact C-N 3.35Å; L179-T181 PolarHBondContact O-N 3Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 3.05Å; T181-N184 PolarHBondContact O-N 3.42Å; T181-E185 WeakPolarHBondContact O-CG 3.43Å; T181-E185 PolarHBondContact O-N 3.34Å |
| 182 | L | 93.6 | Very high | 91.2 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.2 | -71.2 | 174 | 0 | 0 | 0 | 111.9 | Q178 L179 E185 L186 | Q178-L182 WeakPolarHBondContact O-CG 3.25Å; Q178-L182 PolarHBondContact O-N 3.11Å; L179-L182 PolarHBondContact O-N 3.36Å; L182-E185 PolarHBondContact O-N 3.48Å; L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.84Å |
| 183 | Q | 94.4 | Very high | 91.3 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175 | -173.9 | 169.9 | 5.3 | 0 | 0 | 111.5 | L179 V180 T181 E185 L186 E187 | L179-Q183 WeakPolarHBondContact O-CB 3.41Å; L179-Q183 PolarHBondContact O-N 2.76Å; V180-Q183 PolarHBondContact O-N 2.93Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 3.05Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 2.98Å; Q183-L186 WeakPolarHBondContact O-CB 3.39Å; Q183-L186 PolarHBondContact O-N 3.35Å; Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.47Å |
| 184 | N | 94.8 | Very high | 91.4 | Very high | 87 Ų | 87 | 90.8 Ų | 90.8 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 176 | -69.4 | -31.2 | 0 | 0 | 0 | 112.5 | V180 T181 L188 | V180-N184 VanDerWaalsContact O-CG 3.28Å; V180-N184 PolarHBondContact O-N 3.43Å; V180-N184 PolarHBondContact O-ND2 3.24Å; T181-N184 PolarHBondContact O-N 3.42Å; N184-L188 VanDerWaalsContact O-CB 3.31Å; N184-L188 WeakPolarHBondContact O-CB 3.44Å; N184-L188 PolarHBondContact O-N 2.91Å |
| 185 | E | 94.1 | Very high | 91.7 | Very high | 125 Ų | 125 | 89.7 Ų | 89.7 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 175.2 | -75 | -177.6 | 176.1 | 0 | 0 | 112.1 | T181 L182 Q183 L188 A189 | T181-E185 WeakPolarHBondContact O-CG 3.43Å; T181-E185 PolarHBondContact O-N 3.34Å; L182-E185 PolarHBondContact O-N 3.48Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 2.98Å; E185-L188 PolarHBondContact O-N 3.41Å; E185-A189 WeakPolarHBondContact O-CB 3.4Å; E185-A189 PolarHBondContact O-N 3.45Å |
| 186 | L | 93.4 | Very high | 91.5 | Very high | 102 Ų | 102 | 91 Ų | 91 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 173.7 | -177.7 | 65.6 | 0 | 0 | 0 | 111.1 | L182 Q183 L188 A189 E190 | L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.84Å; Q183-L186 WeakPolarHBondContact O-CB 3.39Å; Q183-L186 PolarHBondContact O-N 3.35Å; L186-L188 VanDerWaalsContact C-N 3.26Å; L186-L188 PolarHBondContact O-N 3.07Å; L186-A189 CarbonylContact O-C 3.56Å; L186-A189 WeakPolarHBondContact O-CA 3.4Å; L186-A189 WeakPolarHBondContact O-CB 3.44Å; L186-A189 PolarHBondContact O-N 3.41Å; L186-E190 WeakPolarHBondContact O-CG 3.32Å; L186-E190 PolarHBondContact O-N 3.3Å |
| 187 | E | 93.8 | Very high | 91.3 | Very high | 96 Ų | 96 | 94.3 Ų | 94.3 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 176 | -72.4 | 176.7 | -169.6 | 0 | 0 | 111.5 | Q183 E190 T191 | Q183-E187 WeakPolarHBondContact O-CG 3.49Å; Q183-E187 PolarHBondContact O-N 3.47Å; E187-E190 PolarHBondContact O-N 3.44Å; E187-T191 WeakPolarHBondContact O-CG2 3.47Å; E187-T191 PolarHBondContact O-N 3.06Å; E187-T191 PolarHBondContact O-OG1 3.29Å; E187-T191 VanDerWaalsContact O-OG1 3.08Å |
| 188 | L | 93.8 | Very high | 91.2 | Very high | 93 Ų | 93 | 96.9 Ų | 96.9 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 174.1 | -173.9 | 70.5 | 0 | 0 | 0 | 112.5 | N184 E185 L186 T191 K192 | N184-L188 VanDerWaalsContact O-CB 3.31Å; N184-L188 WeakPolarHBondContact O-CB 3.44Å; N184-L188 PolarHBondContact O-N 2.91Å; E185-L188 PolarHBondContact O-N 3.41Å; L186-L188 VanDerWaalsContact C-N 3.26Å; L186-L188 PolarHBondContact O-N 3.07Å; L188-T191 WeakPolarHBondContact CA-OG1 3.32Å; L188-T191 PolarHBondContact O-OG1 2.98Å; L188-K192 HydrophobicContact CG-CD 4.5Å; L188-K192 WeakPolarHBondContact O-CD 3.47Å; L188-K192 VanDerWaalsContact O-CG 3.25Å; L188-K192 WeakPolarHBondContact O-CG 3.47Å; L188-K192 PolarHBondContact O-N 3.27Å; L188-K192 VanDerWaalsContact O-N 3.16Å |
| 189 | A | 89.8 | Confident | 91 | Very high | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E185 L186 T191 K192 C193 | E185-A189 WeakPolarHBondContact O-CB 3.4Å; E185-A189 PolarHBondContact O-N 3.45Å; L186-A189 CarbonylContact O-C 3.56Å; L186-A189 WeakPolarHBondContact O-CA 3.4Å; L186-A189 WeakPolarHBondContact O-CB 3.44Å; L186-A189 PolarHBondContact O-N 3.41Å; A189-T191 PolarHBondContact O-N 3.5Å; A189-K192 PolarHBondContact O-N 2.96Å; A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.34Å; A189-C193 PolarHBondContact O-SG 3.42Å |
| 190 | E | 92.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.5 | -73.5 | 178.9 | 176.8 | 0 | 0 | 111.4 | L186 E187 K192 C193 A194 | L186-E190 WeakPolarHBondContact O-CG 3.32Å; L186-E190 PolarHBondContact O-N 3.3Å; E187-E190 PolarHBondContact O-N 3.44Å; E190-K192 VanDerWaalsContact C-N 3.35Å; E190-K192 PolarHBondContact O-N 3.1Å; E190-C193 PolarHBondContact O-N 3.42Å; E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 3.22Å |
| 191 | T | 90.7 | Very high | 90 | Very high | 85 Ų | 85 | 99.8 Ų | 99.8 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 175.7 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | E187 L188 A189 L195 | E187-T191 WeakPolarHBondContact O-CG2 3.47Å; E187-T191 PolarHBondContact O-N 3.06Å; E187-T191 PolarHBondContact O-OG1 3.29Å; E187-T191 VanDerWaalsContact O-OG1 3.08Å; L188-T191 WeakPolarHBondContact CA-OG1 3.32Å; L188-T191 PolarHBondContact O-OG1 2.98Å; A189-T191 PolarHBondContact O-N 3.5Å; T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.83Å |
| 192 | K | 90.3 | Very high | 89.6 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 173.5 | -74.8 | 169.5 | -177.1 | 171.1 | 0 | 112.1 | L188 A189 E190 L195 Q196 | L188-K192 HydrophobicContact CG-CD 4.5Å; L188-K192 WeakPolarHBondContact O-CD 3.47Å; L188-K192 VanDerWaalsContact O-CG 3.25Å; L188-K192 WeakPolarHBondContact O-CG 3.47Å; L188-K192 PolarHBondContact O-N 3.27Å; L188-K192 VanDerWaalsContact O-N 3.16Å; A189-K192 PolarHBondContact O-N 2.96Å; E190-K192 VanDerWaalsContact C-N 3.35Å; E190-K192 PolarHBondContact O-N 3.1Å; K192-L195 PolarHBondContact O-N 3Å; K192-Q196 WeakPolarHBondContact O-CB 3.37Å; K192-Q196 PolarHBondContact O-N 3.35Å |
| 193 | C | 85.1 | Confident | 89.1 | Confident | 69 Ų | 69 | 98 Ų | 98 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 175.4 | -72.2 | 0 | 0 | 0 | 0 | 111.1 | A189 E190 L195 Q196 E197 | A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.34Å; A189-C193 PolarHBondContact O-SG 3.42Å; E190-C193 PolarHBondContact O-N 3.42Å; C193-L195 VanDerWaalsContact C-N 3.33Å; C193-L195 PolarHBondContact O-N 3.32Å; C193-Q196 WeakPolarHBondContact O-CB 3.41Å; C193-Q196 PolarHBondContact O-N 3.28Å; C193-E197 WeakPolarHBondContact O-CG 3.35Å; C193-E197 PolarHBondContact O-N 2.91Å |
| 194 | A | 88.3 | Confident | 88.4 | Confident | 49 Ų | 49 | 95.1 Ų | 95.1 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E190 Q196 E197 E198 | E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 3.22Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.3Å; A194-E197 PolarHBondContact O-N 2.95Å; A194-E198 PolarHBondContact O-N 3.5Å |
| 195 | L | 89.8 | Confident | 87.8 | Confident | 90 Ų | 90 | 96 Ų | 96 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.1 | -170.9 | 81.7 | 0 | 0 | 0 | 112.3 | T191 K192 C193 E198 K199 | T191-L195 WeakPolarHBondContact O-CB 3.34Å; T191-L195 PolarHBondContact O-N 2.83Å; K192-L195 PolarHBondContact O-N 3Å; C193-L195 VanDerWaalsContact C-N 3.33Å; C193-L195 PolarHBondContact O-N 3.32Å; L195-E198 PolarHBondContact O-N 3.49Å; L195-K199 WeakPolarHBondContact O-CG 3.36Å; L195-K199 PolarHBondContact O-N 3.01Å |
| 196 | Q | 85 | Confident | 87.1 | Confident | 124 Ų | 124 | 96.2 Ų | 96.2 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.3 | -39.2 | 178.6 | -171.7 | 168.4 | -1.9 | 0 | 0 | 111.4 | K192 C193 A194 K199 L200 | K192-Q196 WeakPolarHBondContact O-CB 3.37Å; K192-Q196 PolarHBondContact O-N 3.35Å; C193-Q196 WeakPolarHBondContact O-CB 3.41Å; C193-Q196 PolarHBondContact O-N 3.28Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.3Å; Q196-K199 PolarHBondContact O-N 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.47Å; Q196-L200 PolarHBondContact O-N 3.04Å |
| 197 | E | 86.1 | Confident | 86.4 | Confident | 121 Ų | 121 | 95 Ų | 95 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 171.6 | -73 | -177 | 174.6 | 0 | 0 | 111.4 | C193 A194 K199 L200 Q201 | C193-E197 WeakPolarHBondContact O-CG 3.35Å; C193-E197 PolarHBondContact O-N 2.91Å; A194-E197 PolarHBondContact O-N 2.95Å; E197-K199 VanDerWaalsContact C-N 3.34Å; E197-K199 PolarHBondContact O-N 3.16Å; E197-L200 PolarHBondContact O-N 3.18Å; E197-Q201 WeakPolarHBondContact O-CB 3.4Å; E197-Q201 VanDerWaalsContact O-CG 3.31Å; E197-Q201 WeakPolarHBondContact O-CG 3.34Å; E197-Q201 PolarHBondContact O-N 3.41Å |
| 198 | E | 86.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.9 | -76 | -174.3 | 167.8 | 0 | 0 | 112.5 | A194 L195 Q201 Q202 | A194-E198 PolarHBondContact O-N 3.5Å; L195-E198 PolarHBondContact O-N 3.49Å; E198-Q201 PolarHBondContact O-N 3.16Å; E198-Q202 WeakPolarHBondContact O-CB 3.49Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.96Å |
| 199 | K | 87.9 | Confident | 85 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 175.2 | -74.7 | 176.1 | -177.7 | 178.8 | 0 | 112.3 | L195 Q196 E197 Q202 G203 | L195-K199 WeakPolarHBondContact O-CG 3.36Å; L195-K199 PolarHBondContact O-N 3.01Å; Q196-K199 PolarHBondContact O-N 3.32Å; E197-K199 VanDerWaalsContact C-N 3.34Å; E197-K199 PolarHBondContact O-N 3.16Å; K199-Q202 PolarHBondContact O-N 3.24Å; K199-G203 PolarHBondContact O-N 3.4Å |
| 200 | L | 85.5 | Confident | 84.4 | Confident | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -38.5 | 175.2 | -71.6 | 175.3 | 0 | 0 | 0 | 111.1 | Q196 E197 G203 A204 | Q196-L200 WeakPolarHBondContact O-CG 3.47Å; Q196-L200 PolarHBondContact O-N 3.04Å; E197-L200 PolarHBondContact O-N 3.18Å; L200-G203 PolarHBondContact O-N 2.83Å; L200-A204 VanDerWaalsContact O-CB 3.27Å; L200-A204 WeakPolarHBondContact O-CB 3.16Å; L200-A204 PolarHBondContact O-N 3.36Å |
| 201 | Q | 81.8 | Confident | 83.5 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 174 | -73.4 | 179.9 | 14.9 | 0 | 0 | 111.9 | E197 E198 A204 L205 | E197-Q201 WeakPolarHBondContact O-CB 3.4Å; E197-Q201 VanDerWaalsContact O-CG 3.31Å; E197-Q201 WeakPolarHBondContact O-CG 3.34Å; E197-Q201 PolarHBondContact O-N 3.41Å; E198-Q201 PolarHBondContact O-N 3.16Å; Q201-A204 CarbonylContact O-C 3.57Å; Q201-A204 WeakPolarHBondContact O-CB 3.25Å; Q201-A204 PolarHBondContact O-N 3.39Å; Q201-L205 WeakPolarHBondContact O-CB 3.37Å; Q201-L205 VanDerWaalsContact O-CG 3.28Å; Q201-L205 WeakPolarHBondContact O-CG 3.02Å; Q201-L205 PolarHBondContact O-N 3.45Å |
| 202 | Q | 83.4 | Confident | 82.6 | Confident | 113 Ų | 113 | 95.5 Ų | 95.5 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 172.5 | -76.2 | 176.6 | 5 | 0 | 0 | 111.5 | E198 K199 L205 Q206 | E198-Q202 WeakPolarHBondContact O-CB 3.49Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.96Å; K199-Q202 PolarHBondContact O-N 3.24Å; Q202-L205 PolarHBondContact O-N 3.01Å; Q202-Q206 WeakPolarHBondContact O-CB 3.41Å; Q202-Q206 VanDerWaalsContact O-CG 3.31Å; Q202-Q206 WeakPolarHBondContact O-CG 3.3Å; Q202-Q206 PolarHBondContact O-N 3.4Å |
| 203 | G | 84 | Confident | 81.7 | Confident | 28 Ų | 28 | 94.1 Ų | 94.1 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K199 L200 T207 | K199-G203 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 2.83Å; G203-T207 WeakPolarHBondContact O-CB 3.14Å; G203-T207 VanDerWaalsContact O-CG2 3.24Å; G203-T207 WeakPolarHBondContact O-CG2 3.33Å; G203-T207 PolarHBondContact O-N 3.33Å; G203-T207 PolarHBondContact O-OG1 3.26Å |
| 204 | A | 80.5 | Confident | 80.8 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 Q201 T207 A208 | L200-A204 VanDerWaalsContact O-CB 3.27Å; L200-A204 WeakPolarHBondContact O-CB 3.16Å; L200-A204 PolarHBondContact O-N 3.36Å; Q201-A204 CarbonylContact O-C 3.57Å; Q201-A204 WeakPolarHBondContact O-CB 3.25Å; Q201-A204 PolarHBondContact O-N 3.39Å; A204-T207 VanDerWaalsContact CA-OG1 3.28Å; A204-T207 WeakPolarHBondContact CA-OG1 3.28Å; A204-T207 PolarHBondContact O-OG1 3.37Å; A204-A208 WeakPolarHBondContact O-CB 3.41Å; A204-A208 PolarHBondContact O-N 3.01Å |
| 205 | L | 80.5 | Confident | 79.6 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.2 | -46.6 | 174.9 | -74.2 | 170.1 | 0 | 0 | 0 | 111 | Q201 Q202 T207 A208 E209 | Q201-L205 WeakPolarHBondContact O-CB 3.37Å; Q201-L205 VanDerWaalsContact O-CG 3.28Å; Q201-L205 WeakPolarHBondContact O-CG 3.02Å; Q201-L205 PolarHBondContact O-N 3.45Å; Q202-L205 PolarHBondContact O-N 3.01Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.49Å; L205-A208 CarbonylContact O-C 3.57Å; L205-A208 PolarHBondContact O-N 3.03Å; L205-E209 WeakPolarHBondContact O-CB 3.18Å; L205-E209 VanDerWaalsContact O-CG 3.28Å; L205-E209 WeakPolarHBondContact O-CG 3.48Å; L205-E209 PolarHBondContact O-N 2.98Å |
| 206 | Q | 81.1 | Confident | 78.2 | Confident | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | 175.9 | -73.9 | 176.6 | 6.5 | 0 | 0 | 112.2 | Q202 A210 | Q202-Q206 WeakPolarHBondContact O-CB 3.41Å; Q202-Q206 VanDerWaalsContact O-CG 3.31Å; Q202-Q206 WeakPolarHBondContact O-CG 3.3Å; Q202-Q206 PolarHBondContact O-N 3.4Å; Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 2.76Å |
| 207 | T | 77.5 | Confident | 76.8 | Confident | 76 Ų | 76 | 102.6 Ų | 102.6 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 174 | 51.2 | 0 | 0 | 0 | 0 | 111 | G203 A204 L205 A210 W211 | G203-T207 WeakPolarHBondContact O-CB 3.14Å; G203-T207 VanDerWaalsContact O-CG2 3.24Å; G203-T207 WeakPolarHBondContact O-CG2 3.33Å; G203-T207 PolarHBondContact O-N 3.33Å; G203-T207 PolarHBondContact O-OG1 3.26Å; A204-T207 VanDerWaalsContact CA-OG1 3.28Å; A204-T207 WeakPolarHBondContact CA-OG1 3.28Å; A204-T207 PolarHBondContact O-OG1 3.37Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.49Å; T207-A210 PolarHBondContact O-N 3.09Å; T207-W211 VanDerWaalsContact O-CB 3.23Å; T207-W211 WeakPolarHBondContact O-CB 3.17Å; T207-W211 PolarHBondContact O-N 2.89Å |
| 208 | A | 79.7 | Confident | 75.2 | Confident | 55 Ų | 55 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A204 L205 W211 A212 | A204-A208 WeakPolarHBondContact O-CB 3.41Å; A204-A208 PolarHBondContact O-N 3.01Å; L205-A208 CarbonylContact O-C 3.57Å; L205-A208 PolarHBondContact O-N 3.03Å; A208-W211 CarbonylContact O-C 3.56Å; A208-W211 PolarHBondContact O-N 3.35Å; A208-A212 VanDerWaalsContact O-CB 3.23Å; A208-A212 WeakPolarHBondContact O-CB 3.48Å; A208-A212 PolarHBondContact O-N 3.12Å |
| 209 | E | 78.6 | Confident | 73.1 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 172.8 | -74.3 | 173.4 | -177.3 | 0 | 0 | 110.9 | L205 A212 I213 | L205-E209 WeakPolarHBondContact O-CB 3.18Å; L205-E209 VanDerWaalsContact O-CG 3.28Å; L205-E209 WeakPolarHBondContact O-CG 3.48Å; L205-E209 PolarHBondContact O-N 2.98Å; E209-A212 WeakPolarHBondContact O-CB 3.28Å; E209-A212 PolarHBondContact O-N 3.41Å; E209-I213 VanDerWaalsContact O-CG1 3.26Å; E209-I213 WeakPolarHBondContact O-CG1 3.28Å; E209-I213 PolarHBondContact O-N 2.99Å |
| 210 | A | 78.3 | Confident | 71.2 | Confident | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q206 T207 F214 | Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 2.76Å; T207-A210 PolarHBondContact O-N 3.09Å; A210-F214 VanDerWaalsContact O-CB 3.24Å; A210-F214 WeakPolarHBondContact O-CB 3.24Å; A210-F214 PolarHBondContact O-N 3.11Å |
| 211 | W | 72.6 | Confident | 69 | Low | 160 Ų | 160 | 100.2 Ų | 100.2 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -34.6 | 172.1 | -85.1 | 113.9 | 0 | 0 | 0 | 111.6 | T207 A208 F214 Q215 | T207-W211 VanDerWaalsContact O-CB 3.23Å; T207-W211 WeakPolarHBondContact O-CB 3.17Å; T207-W211 PolarHBondContact O-N 2.89Å; A208-W211 CarbonylContact O-C 3.56Å; A208-W211 PolarHBondContact O-N 3.35Å; W211-F214 AromaticContact CE3-CD1 3.94Å; W211-F214 HydrophobicContact CE3-CD1 3.94Å; W211-F214 AromaticContact CZ3-CD1 3.86Å; W211-F214 HydrophobicContact CZ3-CD1 3.86Å; W211-F214 HydrophobicContact CZ3-CE1 4.09Å; W211-F214 PolarHBondContact O-N 3.08Å; W211-Q215 WeakPolarHBondContact O-CB 3.39Å; W211-Q215 WeakPolarHBondContact O-CG 3.28Å; W211-Q215 PolarHBondContact O-N 2.97Å |
| 212 | A | 71.5 | Confident | 67.1 | Low | 50 Ų | 50 | 103.4 Ų | 103.4 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.5 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | A208 E209 F214 Q215 E216 | A208-A212 VanDerWaalsContact O-CB 3.23Å; A208-A212 WeakPolarHBondContact O-CB 3.48Å; A208-A212 PolarHBondContact O-N 3.12Å; E209-A212 WeakPolarHBondContact O-CB 3.28Å; E209-A212 PolarHBondContact O-N 3.41Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.39Å; A212-Q215 PolarHBondContact O-N 3.31Å; A212-E216 WeakPolarHBondContact O-CB 3.38Å; A212-E216 WeakPolarHBondContact O-CG 3.19Å; A212-E216 PolarHBondContact O-N 2.9Å |
| 213 | I | 71.9 | Confident | 65 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -42.6 | 172.6 | -65.9 | 162.7 | 0 | 0 | 0 | 110.3 | E209 E216 Q217 | E209-I213 VanDerWaalsContact O-CG1 3.26Å; E209-I213 WeakPolarHBondContact O-CG1 3.28Å; E209-I213 PolarHBondContact O-N 2.99Å; I213-E216 PolarHBondContact O-N 2.83Å; I213-Q217 WeakPolarHBondContact O-CB 2.91Å; I213-Q217 VanDerWaalsContact O-CG 3.27Å; I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 2.86Å |
| 214 | F | 66.4 | Low | 62.9 | Low | 105 Ų | 105 | 114.4 Ų | 114.4 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.3 | -41.9 | 175.9 | -176.3 | -97.4 | 0 | 0 | 0 | 111.8 | A210 W211 A212 Q217 T218 | A210-F214 VanDerWaalsContact O-CB 3.24Å; A210-F214 WeakPolarHBondContact O-CB 3.24Å; A210-F214 PolarHBondContact O-N 3.11Å; W211-F214 AromaticContact CE3-CD1 3.94Å; W211-F214 HydrophobicContact CE3-CD1 3.94Å; W211-F214 AromaticContact CZ3-CD1 3.86Å; W211-F214 HydrophobicContact CZ3-CD1 3.86Å; W211-F214 HydrophobicContact CZ3-CE1 4.09Å; W211-F214 PolarHBondContact O-N 3.08Å; A212-F214 VanDerWaalsContact C-N 3.33Å; A212-F214 PolarHBondContact O-N 3.39Å; F214-Q217 CarbonylContact O-C 3.57Å; F214-Q217 PolarHBondContact O-N 2.95Å; F214-T218 HydrophobicContact CD1-CG2 4.4Å; F214-T218 HydrophobicContact CE1-CG2 3.84Å; F214-T218 HydrophobicContact CE2-CG2 4.42Å; F214-T218 HydrophobicContact CZ-CG2 3.85Å; F214-T218 WeakPolarHBondContact O-CB 3.3Å; F214-T218 PolarHBondContact O-N 3.19Å; F214-T218 PolarHBondContact O-OG1 2.9Å |
| 215 | Q | 62.5 | Low | 61.4 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.5 | -44.1 | 174.9 | -78.9 | -80.9 | -11.2 | 0 | 0 | 111.6 | W211 A212 Q217 T218 V219 | W211-Q215 WeakPolarHBondContact O-CB 3.39Å; W211-Q215 WeakPolarHBondContact O-CG 3.28Å; W211-Q215 PolarHBondContact O-N 2.97Å; A212-Q215 PolarHBondContact O-N 3.31Å; Q215-Q217 PolarHBondContact O-N 3.1Å; Q215-T218 VanDerWaalsContact CA-OG1 3.32Å; Q215-T218 WeakPolarHBondContact CA-OG1 3.34Å; Q215-T218 CarbonylContact O-C 3.5Å; Q215-T218 PolarHBondContact O-N 3.43Å; Q215-V219 WeakPolarHBondContact O-CG2 3.46Å; Q215-V219 PolarHBondContact O-N 3.22Å |
| 216 | E | 60.1 | Low | 59 | Low | 155 Ų | 155 | 119.6 Ų | 119.6 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.8 | -34.1 | 172.9 | -74.8 | -167.2 | 169.7 | 0 | 0 | 111.8 | A212 I213 | A212-E216 WeakPolarHBondContact O-CB 3.38Å; A212-E216 WeakPolarHBondContact O-CG 3.19Å; A212-E216 PolarHBondContact O-N 2.9Å; I213-E216 PolarHBondContact O-N 2.83Å |
| 217 | Q | 56.5 | Low | 56.8 | Low | 137 Ų | 137 | 119.3 Ų | 119.3 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.3 | -27.5 | 172.6 | -71.9 | 176.9 | -6.8 | 0 | 0 | 113.7 | I213 F214 Q215 | I213-Q217 WeakPolarHBondContact O-CB 2.91Å; I213-Q217 VanDerWaalsContact O-CG 3.27Å; I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 2.86Å; F214-Q217 CarbonylContact O-C 3.57Å; F214-Q217 PolarHBondContact O-N 2.95Å; Q215-Q217 PolarHBondContact O-N 3.1Å |
| 218 | T | 51 | Low | 54.7 | Low | 52 Ų | 52 | 123.8 Ų | 123.8 | 32% | 0.319 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -93.5 | -10.3 | -179.3 | 33.3 | 0 | 0 | 0 | 0 | 114.8 | F214 Q215 V220 L221 | F214-T218 HydrophobicContact CD1-CG2 4.4Å; F214-T218 HydrophobicContact CE1-CG2 3.84Å; F214-T218 HydrophobicContact CE2-CG2 4.42Å; F214-T218 HydrophobicContact CZ-CG2 3.85Å; F214-T218 WeakPolarHBondContact O-CB 3.3Å; F214-T218 PolarHBondContact O-N 3.19Å; F214-T218 PolarHBondContact O-OG1 2.9Å; Q215-T218 VanDerWaalsContact CA-OG1 3.32Å; Q215-T218 WeakPolarHBondContact CA-OG1 3.34Å; Q215-T218 CarbonylContact O-C 3.5Å; Q215-T218 PolarHBondContact O-N 3.43Å; T218-V220 PolarHBondContact O-N 3.24Å; T218-V220 VanDerWaalsContact O-N 3.12Å; T218-L221 PolarHBondContact O-N 2.9Å |
| 219 | V | 43.9 | Very low | 52.4 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -13 | 166.8 | 164.5 | 0 | 0 | 0 | 0 | 112.4 | Q215 | Q215-V219 WeakPolarHBondContact O-CG2 3.46Å; Q215-V219 PolarHBondContact O-N 3.22Å |
| 220 | V | 47.3 | Very low | 50.1 | Low | 121 Ų | 121 | 129.9 Ų | 129.9 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -7.6 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | T218 | T218-V220 PolarHBondContact O-N 3.24Å; T218-V220 VanDerWaalsContact O-N 3.12Å |
| 221 | L | 40.9 | Very low | 48 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -134 | 83.4 | 175.7 | -68.3 | 174.4 | 0 | 0 | 0 | 111.7 | T218 V223 | T218-L221 PolarHBondContact O-N 2.9Å; L221-V223 PolarHBondContact O-N 3.41Å | ||
| 222 | Q | 41.8 | Very low | 47 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -66.5 | 122.7 | 159.2 | -77.9 | -172.8 | 13.1 | 0 | 0 | 110.6 | ||||
| 223 | V | 37.7 | Very low | 45.7 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -141.7 | 110.5 | 150 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | L221 | L221-V223 PolarHBondContact O-N 3.41Š| ||
| 224 | R | 40.1 | Very low | 43.7 | Very low | 229 Ų | 229 | 133.6 Ų | 133.6 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -89.7 | 172 | 155.6 | -132.3 | -168.2 | 168.6 | 125.1 | -3.3 | 107.3 | ||||
| 225 | P | 49.9 | Very low | 42.8 | Very low | 93 Ų | 93 | 134 Ų | 134 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | cis | -144.7 | -171.1 | -6.5 | 38.9 | -16.8 | 0 | 0 | 0 | 115.5 | ||||
| 226 | H | 28.8 | Very low | 41.6 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | 76 | 120.1 | 145.8 | -82.8 | 22.4 | 0 | 0 | 0 | 122.3 | ||||
| 227 | S | 36.7 | Very low | 40.8 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | 158.9 | 149.6 | 104.4 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 228 | D | 31.9 | Very low | 39.9 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | trans | -72.4 | 140.2 | -169.6 | -62.8 | -64.3 | 0 | 0 | 0 | 116 | ||||
| 229 | A | 32.1 | Very low | 39 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -157 | 99.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 230 | K | 29.6 | Very low | 39.2 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 2 | 110.2 | 144.6 | -155 | 154.8 | -178.6 | 173.5 | 0 | 119.3 | ||||
| 231 | V | 35.2 | Very low | 39.1 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 28.9 | 148.5 | 131.2 | -175 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 232 | P | 51.3 | Low | 38.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | cis | -131.3 | -159.3 | 2.6 | 26.2 | 0.7 | 0 | 0 | 0 | 112.3 | ||||
| 233 | P | 43.7 | Very low | 38.2 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -130.8 | -170.3 | -2.7 | 37 | -15.4 | 0 | 0 | 0 | 115 | ||||
| 234 | A | 30.2 | Very low | 38.5 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | 88.2 | 90.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 235 | S | 46.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 44.5 | 115.1 | 133.8 | 51.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 236 | P | 37.1 | Very low | 37.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -120.6 | 166.2 | 143.5 | 30.2 | -13.2 | 0 | 0 | 0 | 112.2 | ||||
| 237 | P | 43.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 157.9 | -155.1 | 32.7 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 238 | P | 38.8 | Very low | 37.6 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 146.9 | 171.2 | 28.7 | -19.9 | 0 | 0 | 0 | 113.1 | ||||
| 239 | D | 31.5 | Very low | 37.9 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 70 | 91 | 142.8 | -57.3 | -20.9 | 0 | 0 | 0 | 120.7 | ||||
| 240 | L | 48.4 | Very low | 37.9 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 100% | 1.016 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -95 | 104 | 142.9 | -92.9 | 166.5 | 0 | 0 | 0 | 108.8 | ||
| 241 | G | 46 | Very low | 37.9 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 130.2 | 64.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 242 | R | 32.4 | Very low | 38 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -167.5 | 96.4 | 144.3 | -150.1 | 168.9 | -171.1 | 176.1 | 7.5 | 112.1 | D244 | R242-D244 HydrophobicContact CG-CB 4.44Å; R242-D244 IonicContact CZ-OD2 2.71Å; R242-D244 IonicContact NE-OD2 3.44Å; R242-D244 PolarHBondContact NE-OD2 3.33Å; R242-D244 IonicContact NH2-OD2 2.98Å; R242-D244 PolarHBondContact NH2-OD2 2.89Å | ||
| 243 | C | 31.4 | Very low | 37.5 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 79.7 | 160 | -70.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 244 | D | 42.2 | Very low | 37.6 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -102.3 | 93.1 | 161.2 | -80.6 | -39.3 | 0 | 0 | 0 | 107.2 | R242 | R242-D244 HydrophobicContact CG-CB 4.44Å; R242-D244 IonicContact CZ-OD2 2.71Å; R242-D244 IonicContact NE-OD2 3.44Å; R242-D244 PolarHBondContact NE-OD2 3.33Å; R242-D244 IonicContact NH2-OD2 2.98Å; R242-D244 PolarHBondContact NH2-OD2 2.89Å | ||
| 245 | G | 34.3 | Very low | 38.4 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -172.8 | 96.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 246 | Q | 31.3 | Very low | 38.5 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 85.8 | 65.8 | 150.1 | -141.3 | 154.2 | 39 | 0 | 0 | 117.7 | R248 | Q246-R248 HydrophobicContact CG-CB 4.28Å; Q246-R248 PolarHBondContact O-N 3.14Å | ||
| 247 | L | 34.7 | Very low | 39.3 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 95% | 0.953 | 77% | 0.765 | S | S | * | * | trans | -65.2 | 84.3 | 147.4 | -79.6 | 164.5 | 0 | 0 | 0 | 109.3 | ||||
| 248 | R | 38.1 | Very low | 39.5 | Very low | 223 Ų | 223 | 139.9 Ų | 139.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -100 | 103.5 | 163.8 | -169.5 | 178.1 | -127.1 | -126.2 | 2.3 | 108.2 | Q246 | Q246-R248 HydrophobicContact CG-CB 4.28Å; Q246-R248 PolarHBondContact O-N 3.14Å | ||
| 249 | G | 37 | Very low | 40.5 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 57.1 | 149 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q251 | G249-Q251 VanDerWaalsContact C-N 3.32Š| ||
| 250 | V | 32 | Very low | 41.8 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -94 | 82.6 | 143.1 | -179.9 | 0 | 0 | 0 | 0 | 105.9 | Y252 | V250-Y252 HydrophobicContact CG1-CE2 4.5Å; V250-Y252 PolarHBondContact O-N 3.32Å | ||
| 251 | Q | 30.9 | Very low | 42.3 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -65.4 | 110.8 | 159.4 | -86.2 | 175.8 | 2.8 | 0 | 0 | 106 | G249 S253 | G249-Q251 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 3.48Å | ||
| 252 | Y | 36.6 | Very low | 42.8 | Very low | 212 Ų | 212 | 135.6 Ų | 135.6 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -60.8 | 84.2 | 140.8 | -68.5 | -86.9 | 0 | 0 | 0 | 105.6 | V250 T254 | V250-Y252 HydrophobicContact CG1-CE2 4.5Å; V250-Y252 PolarHBondContact O-N 3.32Å; Y252-T254 PolarHBondContact O-N 3.03Å | ||
| 253 | S | 40.4 | Very low | 43.9 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | trans | -65.8 | 93.3 | 155.5 | 32.9 | 0 | 0 | 0 | 0 | 104.6 | Q251 E255 | Q251-S253 PolarHBondContact O-N 3.48Å; S253-E255 PolarHBondContact O-N 2.71Å | ||
| 254 | T | 46.1 | Very low | 45 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -33.8 | 94.3 | 142.6 | -11.9 | 0 | 0 | 0 | 0 | 106.4 | Y252 S256 | Y252-T254 PolarHBondContact O-N 3.03Å; T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact O-N 3.32Å | ||
| 255 | E | 46.2 | Very low | 45.2 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | -53.9 | 109.9 | 161.7 | -80.6 | -172.1 | 151 | 0 | 0 | 104 | S253 L257 | S253-E255 PolarHBondContact O-N 2.71Å; E255-L257 PolarHBondContact O-N 3.25Å; E255-L257 VanDerWaalsContact O-N 3.13Å | ||
| 256 | S | 49 | Very low | 46.1 | Very low | 48 Ų | 48 | 131.9 Ų | 131.9 | 34% | 0.336 | 67% | 0.665 | S | S | . | * | trans | -54.1 | 124.5 | -170.2 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | T254 M258 E259 E260 | T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact O-N 3.32Å; S256-M258 PolarHBondContact O-N 3.02Å; S256-M258 WeakPolarHBondContact OG-CB 3.29Å; S256-M258 PolarHBondContact OG-N 3.49Å; S256-E259 WeakPolarHBondContact O-CA 3.43Å; S256-E259 WeakPolarHBondContact O-CB 3.39Å; S256-E259 PolarHBondContact O-N 3.32Å; S256-E260 PolarHBondContact O-N 2.85Å | ||
| 257 | L | 53.8 | Low | 47.1 | Very low | 130 Ų | 130 | 130 Ų | 130 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -52.5 | -23.6 | 172.1 | -129.7 | 159.5 | 0 | 0 | 0 | 110.6 | E255 M261 | E255-L257 PolarHBondContact O-N 3.25Å; E255-L257 VanDerWaalsContact O-N 3.13Å; L257-M261 HydrophobicContact CD2-CG 4.12Å; L257-M261 HydrophobicContact CD2-SD 4.33Å; L257-M261 VanDerWaalsContact O-CB 3.25Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.3Å; L257-M261 PolarHBondContact O-N 3.43Å |
| 258 | M | 49 | Very low | 47.6 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.8 | -29 | 169.8 | -83 | -156.6 | -60.1 | 0 | 0 | 114.9 | S256 A262 | S256-M258 PolarHBondContact O-N 3.02Å; S256-M258 WeakPolarHBondContact OG-CB 3.29Å; S256-M258 PolarHBondContact OG-N 3.49Å; M258-A262 WeakPolarHBondContact O-CB 3.47Å; M258-A262 PolarHBondContact O-N 3.34Å |
| 259 | E | 59 | Low | 48.2 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.8 | -34.5 | -179 | -162.6 | 157.6 | -168 | 0 | 0 | 111.6 | S256 A262 R263 | S256-E259 WeakPolarHBondContact O-CA 3.43Å; S256-E259 WeakPolarHBondContact O-CB 3.39Å; S256-E259 PolarHBondContact O-N 3.32Å; E259-A262 PolarHBondContact O-N 3.18Å; E259-R263 PolarHBondContact O-N 3.48Å |
| 260 | E | 59.3 | Low | 48.9 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.6 | -43.8 | 165.1 | -102.1 | -135.1 | 142 | 0 | 0 | 111.9 | S256 A262 R263 A264 | S256-E260 PolarHBondContact O-N 2.85Å; E260-A262 VanDerWaalsContact C-N 3.28Å; E260-A262 PolarHBondContact O-N 3.49Å; E260-R263 PolarHBondContact O-N 2.79Å; E260-A264 WeakPolarHBondContact O-CB 3.33Å; E260-A264 PolarHBondContact O-N 3Å |
| 261 | M | 57.8 | Low | 49.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.5 | -29.2 | 174.7 | -72.3 | -160.3 | 102 | 0 | 0 | 112.5 | L257 D265 | L257-M261 HydrophobicContact CD2-CG 4.12Å; L257-M261 HydrophobicContact CD2-SD 4.33Å; L257-M261 VanDerWaalsContact O-CB 3.25Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.3Å; L257-M261 PolarHBondContact O-N 3.43Å; M261-D265 WeakPolarHBondContact O-CB 3.3Å; M261-D265 PolarHBondContact O-N 3.32Å |
| 262 | A | 57.9 | Low | 50.6 | Low | 50 Ų | 50 | 125.4 Ų | 125.4 | 41% | 0.413 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.7 | -30.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M258 E259 E260 R266 | M258-A262 WeakPolarHBondContact O-CB 3.47Å; M258-A262 PolarHBondContact O-N 3.34Å; E259-A262 PolarHBondContact O-N 3.18Å; E260-A262 VanDerWaalsContact C-N 3.28Å; E260-A262 PolarHBondContact O-N 3.49Å; A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 WeakPolarHBondContact O-CG 3.36Å; A262-R266 PolarHBondContact O-N 2.93Å; A262-R266 VanDerWaalsContact O-N 3.15Å |
| 263 | R | 55.8 | Low | 51.4 | Low | 165 Ų | 165 | 117.1 Ų | 117.1 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.9 | -42.8 | 169.9 | -80.6 | -176.7 | -171.4 | 164.9 | 6.8 | 111.4 | E259 E260 R266 E267 | E259-R263 PolarHBondContact O-N 3.48Å; E260-R263 PolarHBondContact O-N 2.79Å; R263-R266 PolarHBondContact O-N 3.33Å; R263-E267 PolarHBondContact O-N 3.41Å |
| 264 | A | 53.5 | Low | 51.9 | Low | 52 Ų | 52 | 122.8 Ų | 122.8 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.5 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E260 E267 M268 | E260-A264 WeakPolarHBondContact O-CB 3.33Å; E260-A264 PolarHBondContact O-N 3Å; A264-E267 PolarHBondContact O-N 2.96Å; A264-M268 WeakPolarHBondContact O-CB 3.34Å; A264-M268 WeakPolarHBondContact O-CG 3.4Å; A264-M268 PolarHBondContact O-N 2.9Å |
| 265 | D | 47.6 | Very low | 52.3 | Low | 70 Ų | 70 | 119.4 Ų | 119.4 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.5 | -27.6 | 175.1 | -165.9 | 39.2 | 0 | 0 | 0 | 112 | M261 R269 | M261-D265 WeakPolarHBondContact O-CB 3.3Å; M261-D265 PolarHBondContact O-N 3.32Å; D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 WeakPolarHBondContact O-CG 3.4Å; D265-R269 PolarHBondContact O-N 3.28Å; D265-R269 IonicContact OD1-NE 3.62Å; D265-R269 PolarHBondContact OD1-NE 2.69Å; D265-R269 IonicContact OD2-CZ 3.6Å; D265-R269 IonicContact OD2-NE 2.94Å; D265-R269 PolarHBondContact OD2-NE 2.89Å; D265-R269 IonicContact OD2-NH2 3.47Å; D265-R269 PolarHBondContact OD2-NH2 3.06Å |
| 266 | R | 52.6 | Low | 52.6 | Low | 188 Ų | 188 | 114.4 Ų | 114.4 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.1 | -37.2 | 170.6 | -84.6 | 177.8 | 178.1 | 170.1 | 1.6 | 112.7 | A262 R263 L270 | A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 WeakPolarHBondContact O-CG 3.36Å; A262-R266 PolarHBondContact O-N 2.93Å; A262-R266 VanDerWaalsContact O-N 3.15Å; R263-R266 PolarHBondContact O-N 3.33Å; R266-L270 WeakPolarHBondContact O-CG 3.37Å; R266-L270 PolarHBondContact O-N 3.44Å |
| 267 | E | 50.9 | Low | 53 | Low | 140 Ų | 140 | 117.9 Ų | 117.9 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -40.1 | 174.3 | -73.7 | -177.5 | 169.1 | 0 | 0 | 111.9 | R263 A264 R269 L270 F271 | R263-E267 PolarHBondContact O-N 3.41Å; A264-E267 PolarHBondContact O-N 2.96Å; E267-R269 PolarHBondContact O-N 2.87Å; E267-L270 PolarHBondContact O-N 3.2Å; E267-F271 PolarHBondContact O-N 3.16Å |
| 268 | M | 46.2 | Very low | 53.3 | Low | 147 Ų | 147 | 114.1 Ų | 114.1 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66 | -35.2 | 174.9 | -77.2 | -79.2 | -168.2 | 0 | 0 | 113.2 | A264 G272 | A264-M268 WeakPolarHBondContact O-CB 3.34Å; A264-M268 WeakPolarHBondContact O-CG 3.4Å; A264-M268 PolarHBondContact O-N 2.9Å; M268-G272 PolarHBondContact O-N 3.07Å |
| 269 | R | 51.5 | Low | 54.1 | Low | 180 Ų | 180 | 112.1 Ų | 112.1 | 68% | 0.679 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.1 | -24.7 | 179.4 | -74.3 | -179.6 | -163.5 | -152.9 | 9.7 | 114.3 | D265 E267 | D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 WeakPolarHBondContact O-CG 3.4Å; D265-R269 PolarHBondContact O-N 3.28Å; D265-R269 IonicContact OD1-NE 3.62Å; D265-R269 PolarHBondContact OD1-NE 2.69Å; D265-R269 IonicContact OD2-CZ 3.6Å; D265-R269 IonicContact OD2-NE 2.94Å; D265-R269 PolarHBondContact OD2-NE 2.89Å; D265-R269 IonicContact OD2-NH2 3.47Å; D265-R269 PolarHBondContact OD2-NH2 3.06Å; E267-R269 PolarHBondContact O-N 2.87Å |
| 270 | L | 50.6 | Low | 54.4 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.9 | -30.5 | 175.6 | -77.6 | 166.3 | 0 | 0 | 0 | 112.3 | R266 E267 | R266-L270 WeakPolarHBondContact O-CG 3.37Å; R266-L270 PolarHBondContact O-N 3.44Å; E267-L270 PolarHBondContact O-N 3.2Å |
| 271 | F | 47.5 | Very low | 54.8 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 68% | 0.68 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -94.4 | -22.3 | 177.1 | -76.6 | -81.8 | 0 | 0 | 0 | 114.5 | E267 | E267-F271 PolarHBondContact O-N 3.16Å |
| 272 | G | 51.5 | Low | 55.2 | Low | 49 Ų | 49 | 116.6 Ų | 116.6 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.5 | -26.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | M268 A276 | M268-G272 PolarHBondContact O-N 3.07Å; G272-A276 WeakPolarHBondContact O-CB 3.4Å |
| 273 | G | 53.1 | Low | 55.8 | Low | 38 Ų | 38 | 118.4 Ų | 118.4 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -101 | -47.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L277 | G273-L277 PolarHBondContact O-N 3.43Š|
| 274 | R | 51.1 | Low | 56.5 | Low | 208 Ų | 208 | 115.6 Ų | 115.6 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.2 | -38.5 | -173.3 | -68.5 | -177.7 | -172.6 | 168.2 | 2.3 | 112.7 | A278 | R274-A278 WeakPolarHBondContact O-CB 3.42Å; R274-A278 PolarHBondContact O-N 3.02Å |
| 275 | C | 54.4 | Low | 57.3 | Low | 57 Ų | 57 | 114.5 Ų | 114.5 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 175.2 | -67 | 0 | 0 | 0 | 0 | 111.7 | A278 I279 | C275-A278 PolarHBondContact O-N 3.18Å; C275-I279 HydrophobicContact CB-CD1 4.5Å; C275-I279 VanDerWaalsContact O-CB 3.26Å; C275-I279 WeakPolarHBondContact O-CB 3.49Å; C275-I279 WeakPolarHBondContact O-CD1 3.26Å; C275-I279 WeakPolarHBondContact O-CG1 3.47Å; C275-I279 PolarHBondContact O-N 3.32Å |
| 276 | A | 53.3 | Low | 58.3 | Low | 55 Ų | 55 | 114.1 Ų | 114.1 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G272 R280 | G272-A276 WeakPolarHBondContact O-CB 3.4Å; A276-R280 WeakPolarHBondContact O-CB 3.37Å; A276-R280 PolarHBondContact O-N 3.42Å |
| 277 | L | 56.7 | Low | 59 | Low | 122 Ų | 122 | 110.1 Ų | 110.1 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.5 | -38.8 | 174.1 | -83.5 | 163.1 | 0 | 0 | 0 | 112.5 | G273 R280 R281 | G273-L277 PolarHBondContact O-N 3.43Å; L277-R280 PolarHBondContact O-N 3.44Å; L277-R281 WeakPolarHBondContact O-CB 3.36Å; L277-R281 PolarHBondContact O-N 2.69Å |
| 278 | A | 60.8 | Low | 60.1 | Low | 51 Ų | 51 | 110.2 Ų | 110.2 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R274 C275 R281 C282 | R274-A278 WeakPolarHBondContact O-CB 3.42Å; R274-A278 PolarHBondContact O-N 3.02Å; C275-A278 PolarHBondContact O-N 3.18Å; A278-R281 PolarHBondContact O-N 2.93Å; A278-C282 WeakPolarHBondContact O-CB 3.28Å; A278-C282 PolarHBondContact O-N 3.08Å; A278-C282 PolarHBondContact O-SG 3.18Å |
| 279 | I | 65.4 | Low | 61.1 | Low | 108 Ų | 108 | 108 Ų | 108 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -44.5 | 174.6 | -66.4 | 163.6 | 0 | 0 | 0 | 109.8 | C275 R281 C282 V283 | C275-I279 HydrophobicContact CB-CD1 4.5Å; C275-I279 VanDerWaalsContact O-CB 3.26Å; C275-I279 WeakPolarHBondContact O-CB 3.49Å; C275-I279 WeakPolarHBondContact O-CD1 3.26Å; C275-I279 WeakPolarHBondContact O-CG1 3.47Å; C275-I279 PolarHBondContact O-N 3.32Å; I279-R281 VanDerWaalsContact C-N 3.29Å; I279-R281 PolarHBondContact O-N 2.93Å; I279-C282 PolarHBondContact O-N 3.31Å; I279-V283 HydrophobicContact CG2-CG2 4.11Å; I279-V283 WeakPolarHBondContact O-CB 3.27Å; I279-V283 WeakPolarHBondContact O-CG2 3.45Å; I279-V283 PolarHBondContact O-N 2.9Å |
| 280 | R | 64.1 | Low | 62 | Low | 185 Ų | 185 | 105.5 Ų | 105.5 | 70% | 0.698 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -38.3 | 176.7 | -168 | 174.2 | -177 | 176.5 | 1.4 | 111.7 | A276 L277 L284 | A276-R280 WeakPolarHBondContact O-CB 3.37Å; A276-R280 PolarHBondContact O-N 3.42Å; L277-R280 PolarHBondContact O-N 3.44Å; R280-L284 VanDerWaalsContact O-CB 3.27Å; R280-L284 WeakPolarHBondContact O-CB 3.31Å; R280-L284 PolarHBondContact O-N 3.45Å |
| 281 | R | 69.2 | Low | 63 | Low | 210 Ų | 210 | 104.7 Ų | 104.7 | 79% | 0.792 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.5 | -33.6 | 178.7 | -163.6 | 167.6 | 164.5 | 162.8 | -5.5 | 112.5 | L277 A278 I279 G285 | L277-R281 WeakPolarHBondContact O-CB 3.36Å; L277-R281 PolarHBondContact O-N 2.69Å; A278-R281 PolarHBondContact O-N 2.93Å; I279-R281 VanDerWaalsContact C-N 3.29Å; I279-R281 PolarHBondContact O-N 2.93Å; R281-G285 PolarHBondContact O-N 3.46Å |
| 282 | C | 66.6 | Low | 64.3 | Low | 93 Ų | 93 | 100 Ų | 100 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.6 | -42.2 | 170.7 | -74.1 | 0 | 0 | 0 | 0 | 112 | A278 I279 G285 A286 | A278-C282 WeakPolarHBondContact O-CB 3.28Å; A278-C282 PolarHBondContact O-N 3.08Å; A278-C282 PolarHBondContact O-SG 3.18Å; I279-C282 PolarHBondContact O-N 3.31Å; C282-G285 PolarHBondContact O-N 2.85Å; C282-A286 VanDerWaalsContact O-CB 3.24Å; C282-A286 WeakPolarHBondContact O-CB 3.35Å; C282-A286 PolarHBondContact O-N 3.31Å |
| 283 | V | 70.4 | Confident | 65.5 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -41.2 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | I279 A286 L287 | I279-V283 HydrophobicContact CG2-CG2 4.11Å; I279-V283 WeakPolarHBondContact O-CB 3.27Å; I279-V283 WeakPolarHBondContact O-CG2 3.45Å; I279-V283 PolarHBondContact O-N 2.9Å; V283-A286 PolarHBondContact O-N 3.49Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 3.46Å |
| 284 | L | 70.6 | Confident | 66.5 | Low | 105 Ų | 105 | 105.1 Ų | 105.1 | 55% | 0.55 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 174.6 | -140.5 | 93.9 | 0 | 0 | 0 | 111.5 | R280 L287 Q288 | R280-L284 VanDerWaalsContact O-CB 3.27Å; R280-L284 WeakPolarHBondContact O-CB 3.31Å; R280-L284 PolarHBondContact O-N 3.45Å; L284-L287 PolarHBondContact O-N 3.02Å; L284-Q288 WeakPolarHBondContact O-CB 3.45Å; L284-Q288 PolarHBondContact O-N 3.39Å |
| 285 | G | 69.9 | Low | 67.8 | Low | 29 Ų | 29 | 100.2 Ų | 100.2 | 30% | 0.299 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.2 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R281 C282 Q288 V289 | R281-G285 PolarHBondContact O-N 3.46Å; C282-G285 PolarHBondContact O-N 2.85Å; G285-Q288 PolarHBondContact O-N 3.2Å; G285-V289 WeakPolarHBondContact O-CG2 3.32Å; G285-V289 PolarHBondContact O-N 2.87Å |
| 286 | A | 68.4 | Low | 69.1 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | C282 V283 Q288 V289 L290 | C282-A286 VanDerWaalsContact O-CB 3.24Å; C282-A286 WeakPolarHBondContact O-CB 3.35Å; C282-A286 PolarHBondContact O-N 3.31Å; V283-A286 PolarHBondContact O-N 3.49Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 2.88Å; A286-V289 PolarHBondContact O-N 3.24Å; A286-L290 WeakPolarHBondContact O-CB 3.47Å; A286-L290 PolarHBondContact O-N 2.98Å |
| 287 | L | 67.6 | Low | 70.4 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | 175.1 | -161.2 | 80.6 | 0 | 0 | 0 | 111.6 | V283 L284 V289 L290 L291 | V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 3.46Å; L284-L287 PolarHBondContact O-N 3.02Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 3.01Å; L287-L290 PolarHBondContact O-N 2.97Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.16Å |
| 288 | Q | 72.8 | Confident | 71.6 | Confident | 142 Ų | 142 | 106.5 Ų | 106.5 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.9 | -19.9 | 178.2 | -171.6 | 171.9 | 22.8 | 0 | 0 | 113.1 | L284 G285 A286 P292 | L284-Q288 WeakPolarHBondContact O-CB 3.45Å; L284-Q288 PolarHBondContact O-N 3.39Å; G285-Q288 PolarHBondContact O-N 3.2Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 2.88Å; Q288-P292 WeakPolarHBondContact O-CD 3.31Å; Q288-P292 WeakPolarHBondContact O-CG 3.39Å |
| 289 | V | 68.4 | Low | 72.6 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -96.2 | -36.5 | 172.2 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | G285 A286 L287 P292 L293 | G285-V289 WeakPolarHBondContact O-CG2 3.32Å; G285-V289 PolarHBondContact O-N 2.87Å; A286-V289 PolarHBondContact O-N 3.24Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 3.01Å; V289-P292 VanDerWaalsContact O-CD 3.31Å; V289-P292 WeakPolarHBondContact O-CD 3.47Å; V289-P292 WeakPolarHBondContact O-CG 3.47Å; V289-L293 WeakPolarHBondContact O-CB 3.45Å; V289-L293 PolarHBondContact O-N 3.45Å |
| 290 | L | 70.4 | Confident | 73.5 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.7 | -28.5 | -179.9 | -158 | 86.8 | 0 | 0 | 0 | 112.9 | A286 L287 P294 | A286-L290 WeakPolarHBondContact O-CB 3.47Å; A286-L290 PolarHBondContact O-N 2.98Å; L287-L290 PolarHBondContact O-N 2.97Å; L290-P294 WeakPolarHBondContact O-CD 3.46Å; L290-P294 WeakPolarHBondContact O-CG 3.47Å |
| 291 | L | 70.1 | Confident | 74.1 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -44.2 | 178.7 | -168.1 | 70.6 | 0 | 0 | 0 | 114.2 | L287 L293 P294 L295 | L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.16Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L291-P294 WeakPolarHBondContact O-CD 3.2Å; L291-P294 WeakPolarHBondContact O-CG 3.35Å; L291-L295 HydrophobicContact CG-CD1 4.28Å; L291-L295 WeakPolarHBondContact O-CD1 3.32Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å |
| 292 | P | 75.9 | Confident | 74.2 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 36% | 0.357 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.8 | -27.9 | 178.3 | 29.9 | -37.9 | 0 | 0 | 0 | 112.1 | Q288 V289 L295 L296 | Q288-P292 WeakPolarHBondContact O-CD 3.31Å; Q288-P292 WeakPolarHBondContact O-CG 3.39Å; V289-P292 VanDerWaalsContact O-CD 3.31Å; V289-P292 WeakPolarHBondContact O-CD 3.47Å; V289-P292 WeakPolarHBondContact O-CG 3.47Å; P292-L295 CarbonylContact O-C 3.56Å; P292-L295 PolarHBondContact O-N 3.16Å; P292-L296 VanDerWaalsContact O-CB 3.3Å; P292-L296 WeakPolarHBondContact O-CB 3.29Å; P292-L296 PolarHBondContact O-N 3.45Å |
| 293 | L | 75.8 | Confident | 74.8 | Confident | 120 Ų | 120 | 94.8 Ų | 94.8 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -50.5 | -177.3 | -164.3 | 74.1 | 0 | 0 | 0 | 113.8 | V289 L291 L295 L296 F297 | V289-L293 WeakPolarHBondContact O-CB 3.45Å; V289-L293 PolarHBondContact O-N 3.45Å; L291-L293 VanDerWaalsContact C-N 3.35Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L293-L296 PolarHBondContact O-N 2.69Å; L293-F297 WeakPolarHBondContact O-CB 3.45Å; L293-F297 PolarHBondContact O-N 3.48Å |
| 294 | P | 74.9 | Confident | 75.2 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.2 | -29.5 | 174.2 | 28.2 | -34.9 | 0 | 0 | 0 | 112.3 | L290 L291 F297 L298 | L290-P294 WeakPolarHBondContact O-CD 3.46Å; L290-P294 WeakPolarHBondContact O-CG 3.47Å; L291-P294 WeakPolarHBondContact O-CD 3.2Å; L291-P294 WeakPolarHBondContact O-CG 3.35Å; P294-F297 PolarHBondContact O-N 3.33Å; P294-L298 WeakPolarHBondContact O-CB 3.4Å; P294-L298 PolarHBondContact O-N 3.43Å |
| 295 | L | 77.8 | Confident | 75.2 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 175.2 | -75.7 | 167.9 | 0 | 0 | 0 | 112.3 | L291 P292 L293 G299 | L291-L295 HydrophobicContact CG-CD1 4.28Å; L291-L295 WeakPolarHBondContact O-CD1 3.32Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; P292-L295 CarbonylContact O-C 3.56Å; P292-L295 PolarHBondContact O-N 3.16Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L295-G299 PolarHBondContact O-N 3.25Å |
| 296 | L | 82.1 | Confident | 75.3 | Confident | 114 Ų | 114 | 98.5 Ų | 98.5 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 173.6 | -121.7 | 153.7 | 0 | 0 | 0 | 109.7 | P292 L293 G299 L300 | P292-L296 VanDerWaalsContact O-CB 3.3Å; P292-L296 WeakPolarHBondContact O-CB 3.29Å; P292-L296 PolarHBondContact O-N 3.45Å; L293-L296 PolarHBondContact O-N 2.69Å; L296-G299 PolarHBondContact O-N 3.5Å; L296-L300 VanDerWaalsContact O-CB 3.25Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 PolarHBondContact O-N 3.48Å |
| 297 | F | 80.9 | Confident | 75.5 | Confident | 149 Ų | 149 | 102.1 Ų | 102.1 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 176 | -168.8 | -98.9 | 0 | 0 | 0 | 112.3 | L293 P294 S301 | L293-F297 WeakPolarHBondContact O-CB 3.45Å; L293-F297 PolarHBondContact O-N 3.48Å; P294-F297 PolarHBondContact O-N 3.33Å; F297-S301 VanDerWaalsContact O-CB 3.27Å; F297-S301 WeakPolarHBondContact O-CB 3.29Å; F297-S301 PolarHBondContact O-N 2.91Å; F297-S301 PolarHBondContact O-OG 2.9Å |
| 298 | L | 80.8 | Confident | 75.7 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 174.8 | -170.2 | 72.5 | 0 | 0 | 0 | 111.3 | P294 S301 L302 | P294-L298 WeakPolarHBondContact O-CB 3.4Å; P294-L298 PolarHBondContact O-N 3.43Å; L298-S301 PolarHBondContact O-N 3.2Å; L298-L302 HydrophobicContact CG-CD1 4.31Å; L298-L302 WeakPolarHBondContact O-CB 3.31Å; L298-L302 PolarHBondContact O-N 2.86Å |
| 299 | G | 82.2 | Confident | 75.3 | Confident | 38 Ų | 38 | 100.2 Ų | 100.2 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L295 L296 L302 L303 | L295-G299 PolarHBondContact O-N 3.25Å; L296-G299 PolarHBondContact O-N 3.5Å; G299-L302 PolarHBondContact O-N 2.83Å; G299-L303 WeakPolarHBondContact O-CB 3.36Å; G299-L303 PolarHBondContact O-N 3.49Å |
| 300 | L | 84.1 | Confident | 74.9 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.7 | -38.9 | 175.3 | -150.7 | 94.5 | 0 | 0 | 0 | 111 | L296 L303 W304 | L296-L300 VanDerWaalsContact O-CB 3.25Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 PolarHBondContact O-N 3.48Å; L300-L303 PolarHBondContact O-N 3.48Å; L300-W304 WeakPolarHBondContact O-CB 3.32Å; L300-W304 PolarHBondContact O-N 3.43Å |
| 301 | S | 76.9 | Confident | 74.7 | Confident | 49 Ų | 49 | 96 Ų | 96 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 112 | F297 L298 T305 | F297-S301 VanDerWaalsContact O-CB 3.27Å; F297-S301 WeakPolarHBondContact O-CB 3.29Å; F297-S301 PolarHBondContact O-N 2.91Å; F297-S301 PolarHBondContact O-OG 2.9Å; L298-S301 PolarHBondContact O-N 3.2Å; S301-T305 WeakPolarHBondContact O-CG2 3.35Å; S301-T305 PolarHBondContact O-N 3.39Å; S301-T305 PolarHBondContact O-OG1 2.87Å |
| 302 | L | 72.6 | Confident | 74.4 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 172.1 | -97.4 | 150.3 | 0 | 0 | 0 | 111.5 | L298 G299 W304 T305 V306 I313 | L298-L302 HydrophobicContact CG-CD1 4.31Å; L298-L302 WeakPolarHBondContact O-CB 3.31Å; L298-L302 PolarHBondContact O-N 2.86Å; G299-L302 PolarHBondContact O-N 2.83Å; L302-W304 VanDerWaalsContact C-N 3.33Å; L302-W304 PolarHBondContact O-N 3.26Å; L302-T305 VanDerWaalsContact CA-OG1 3.31Å; L302-T305 WeakPolarHBondContact CA-OG1 3.5Å; L302-T305 PolarHBondContact O-N 3.49Å; L302-T305 PolarHBondContact O-OG1 3.15Å; L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.49Å; L302-V306 PolarHBondContact O-N 3.41Å; L302-I313 HydrophobicContact CD2-CD1 4.2Å |
| 303 | L | 79.2 | Confident | 73.8 | Confident | 118 Ų | 118 | 93.6 Ų | 93.6 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 176.8 | -169.4 | 76.4 | 0 | 0 | 0 | 111.1 | G299 L300 V306 L307 | G299-L303 WeakPolarHBondContact O-CB 3.36Å; G299-L303 PolarHBondContact O-N 3.49Å; L300-L303 PolarHBondContact O-N 3.48Å; L303-V306 PolarHBondContact O-N 2.81Å; L303-L307 WeakPolarHBondContact O-CB 3.31Å; L303-L307 PolarHBondContact O-N 2.91Å |
| 304 | W | 77.2 | Confident | 73.2 | Confident | 171 Ų | 171 | 90.8 Ų | 90.8 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 175.9 | -173.7 | -106.2 | 0 | 0 | 0 | 111.7 | L300 L302 L307 L308 | L300-W304 WeakPolarHBondContact O-CB 3.32Å; L300-W304 PolarHBondContact O-N 3.43Å; L302-W304 VanDerWaalsContact C-N 3.33Å; L302-W304 PolarHBondContact O-N 3.26Å; W304-L307 PolarHBondContact O-N 2.94Å; W304-L308 HydrophobicContact CD2-CD1 3.87Å; W304-L308 HydrophobicContact CG-CD1 3.99Å; W304-L308 HydrophobicContact CZ2-CD1 3.82Å; W304-L308 WeakPolarHBondContact O-CD1 3.43Å; W304-L308 PolarHBondContact O-N 3.29Å |
| 305 | T | 71 | Confident | 72.7 | Confident | 65 Ų | 65 | 90 Ų | 90 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | S301 L302 L307 L308 D309 | S301-T305 WeakPolarHBondContact O-CG2 3.35Å; S301-T305 PolarHBondContact O-N 3.39Å; S301-T305 PolarHBondContact O-OG1 2.87Å; L302-T305 VanDerWaalsContact CA-OG1 3.31Å; L302-T305 WeakPolarHBondContact CA-OG1 3.5Å; L302-T305 PolarHBondContact O-N 3.49Å; L302-T305 PolarHBondContact O-OG1 3.15Å; T305-L307 VanDerWaalsContact C-N 3.3Å; T305-L307 PolarHBondContact O-N 2.99Å; T305-L308 PolarHBondContact O-N 2.89Å; T305-D309 PolarHBondContact O-N 3.05Å |
| 306 | V | 72.5 | Confident | 71.9 | Confident | 64 Ų | 64 | 93 Ų | 93 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L302 L303 I313 | L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.49Å; L302-V306 PolarHBondContact O-N 3.41Å; L303-V306 PolarHBondContact O-N 2.81Å; V306-I313 HydrophobicContact CB-CD1 4.2Å; V306-I313 HydrophobicContact CG2-CD1 3.27Å; V306-I313 HydrophobicContact CG2-CG1 4.47Å |
| 307 | L | 73.3 | Confident | 71 | Confident | 138 Ų | 138 | 92 Ų | 92 | 72% | 0.723 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.5 | -35 | -178 | -159.2 | 76.6 | 0 | 0 | 0 | 112.3 | L303 W304 T305 | L303-L307 WeakPolarHBondContact O-CB 3.31Å; L303-L307 PolarHBondContact O-N 2.91Å; W304-L307 PolarHBondContact O-N 2.94Å; T305-L307 VanDerWaalsContact C-N 3.3Å; T305-L307 PolarHBondContact O-N 2.99Å |
| 308 | L | 70.9 | Confident | 70.1 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -80.7 | -38.3 | 177.4 | -91.3 | 125 | 0 | 0 | 0 | 113.5 | W304 T305 | W304-L308 HydrophobicContact CD2-CD1 3.87Å; W304-L308 HydrophobicContact CG-CD1 3.99Å; W304-L308 HydrophobicContact CZ2-CD1 3.82Å; W304-L308 WeakPolarHBondContact O-CD1 3.43Å; W304-L308 PolarHBondContact O-N 3.29Å; T305-L308 PolarHBondContact O-N 2.89Å |
| 309 | D | 63.6 | Low | 69.1 | Low | 101 Ų | 101 | 92.3 Ų | 92.3 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | trans | -147.3 | 87 | -179.1 | -90.2 | -43.4 | 0 | 0 | 0 | 111.9 | T305 G311 T312 | T305-D309 PolarHBondContact O-N 3.05Å; D309-G311 PolarHBondContact O-N 2.98Å; D309-G311 VanDerWaalsContact O-N 3.08Å; D309-T312 HydrophobicContact CB-CG2 4.01Å; D309-T312 PolarHBondContact O-N 3.2Å; D309-T312 PolarHBondContact O-OG1 2.97Å | ||
| 310 | P | 61.3 | Low | 67.9 | Low | 94 Ų | 94 | 94.4 Ų | 94.4 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -18.1 | -177.7 | 24.9 | -33.8 | 0 | 0 | 0 | 113.4 | ||
| 311 | G | 66 | Low | 66.6 | Low | 46 Ų | 46 | 93.4 Ų | 93.4 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74 | -33.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D309 S314 A315 | D309-G311 PolarHBondContact O-N 2.98Å; D309-G311 VanDerWaalsContact O-N 3.08Å; G311-S314 PolarHBondContact O-OG 3.07Å; G311-A315 PolarHBondContact O-N 3.43Å |
| 312 | T | 63.3 | Low | 65.6 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | -170.3 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | D309 A315 W316 | D309-T312 HydrophobicContact CB-CG2 4.01Å; D309-T312 PolarHBondContact O-N 3.2Å; D309-T312 PolarHBondContact O-OG1 2.97Å; T312-A315 PolarHBondContact O-N 3.15Å; T312-W316 WeakPolarHBondContact O-CB 3.34Å; T312-W316 PolarHBondContact O-N 3.12Å |
| 313 | I | 62.5 | Low | 65 | Low | 32 Ų | 32 | 95.2 Ų | 95.2 | 16% | 0.164 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -74.3 | -34.3 | -179.8 | -67.7 | 166.8 | 0 | 0 | 0 | 111.2 | L302 V306 A315 W316 L317 | L302-I313 HydrophobicContact CD2-CD1 4.2Å; V306-I313 HydrophobicContact CB-CD1 4.2Å; V306-I313 HydrophobicContact CG2-CD1 3.27Å; V306-I313 HydrophobicContact CG2-CG1 4.47Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 3.19Å; I313-W316 PolarHBondContact O-N 3.02Å; I313-L317 HydrophobicContact CG2-CD1 3.69Å; I313-L317 HydrophobicContact CG2-CG 4.29Å; I313-L317 VanDerWaalsContact O-CB 3.28Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 3.43Å |
| 314 | S | 63.2 | Low | 64.1 | Low | 61 Ų | 61 | 94.2 Ų | 94.2 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 174.4 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | G311 R318 | G311-S314 PolarHBondContact O-OG 3.07Å; S314-R318 VanDerWaalsContact O-CB 3.25Å; S314-R318 WeakPolarHBondContact O-CB 3.36Å; S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.95Å |
| 315 | A | 65.2 | Low | 63.2 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.7 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G311 T312 I313 R318 S319 | G311-A315 PolarHBondContact O-N 3.43Å; T312-A315 PolarHBondContact O-N 3.15Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 3.19Å; A315-R318 PolarHBondContact O-N 2.99Å; A315-S319 PolarHBondContact O-N 3Å |
| 316 | W | 61.6 | Low | 62.7 | Low | 168 Ų | 168 | 90 Ų | 90 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.3 | -41.1 | 178 | -167.6 | 82.2 | 0 | 0 | 0 | 112.7 | T312 I313 S319 L320 | T312-W316 WeakPolarHBondContact O-CB 3.34Å; T312-W316 PolarHBondContact O-N 3.12Å; I313-W316 PolarHBondContact O-N 3.02Å; W316-S319 PolarHBondContact O-N 3.3Å; W316-S319 PolarHBondContact O-OG 2.87Å; W316-S319 VanDerWaalsContact O-OG 3.12Å; W316-L320 HydrophobicContact CD2-CD1 3.88Å; W316-L320 HydrophobicContact CE3-CD1 3.51Å; W316-L320 HydrophobicContact CH2-CD1 3.44Å; W316-L320 VanDerWaalsContact CH2-CD1 3.44Å; W316-L320 HydrophobicContact CZ2-CD1 3.78Å; W316-L320 HydrophobicContact CZ3-CD1 3.29Å; W316-L320 PolarHBondContact O-N 3.46Å |
| 317 | L | 62.5 | Low | 62.5 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 170.9 | -78.6 | 164.9 | 0 | 0 | 0 | 111.3 | I313 S319 L320 T321 | I313-L317 HydrophobicContact CG2-CD1 3.69Å; I313-L317 HydrophobicContact CG2-CG 4.29Å; I313-L317 VanDerWaalsContact O-CB 3.28Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 3.43Å; L317-S319 VanDerWaalsContact C-N 3.3Å; L317-S319 PolarHBondContact O-N 3.47Å; L317-L320 PolarHBondContact O-N 2.8Å; L317-T321 WeakPolarHBondContact O-CG2 3.46Å; L317-T321 PolarHBondContact O-N 2.91Å; L317-T321 PolarHBondContact O-OG1 3.29Å |
| 318 | R | 61.3 | Low | 62 | Low | 192 Ų | 192 | 96.9 Ų | 96.9 | 73% | 0.725 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -38.7 | 173.4 | -95.7 | 179.6 | 172.3 | 149.7 | -1.5 | 112.5 | S314 A315 T321 S322 | S314-R318 VanDerWaalsContact O-CB 3.25Å; S314-R318 WeakPolarHBondContact O-CB 3.36Å; S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.95Å; A315-R318 PolarHBondContact O-N 2.99Å; R318-T321 WeakPolarHBondContact CA-OG1 3.35Å; R318-T321 PolarHBondContact O-N 3.44Å; R318-T321 PolarHBondContact O-OG1 3.41Å; R318-S322 PolarHBondContact O-N 3.32Å; R318-S322 VanDerWaalsContact O-N 3.15Å |
| 319 | S | 60.8 | Low | 61.6 | Low | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -35.4 | 178.4 | 94 | 0 | 0 | 0 | 0 | 112.1 | A315 W316 L317 S322 | A315-S319 PolarHBondContact O-N 3Å; W316-S319 PolarHBondContact O-N 3.3Å; W316-S319 PolarHBondContact O-OG 2.87Å; W316-S319 VanDerWaalsContact O-OG 3.12Å; L317-S319 VanDerWaalsContact C-N 3.3Å; L317-S319 PolarHBondContact O-N 3.47Å; S319-S322 WeakPolarHBondContact O-CB 3.45Å; S319-S322 PolarHBondContact O-N 3.02Å; S319-S322 PolarHBondContact O-OG 3.34Å |
| 320 | L | 56.6 | Low | 61.7 | Low | 82 Ų | 82 | 101.1 Ų | 101.1 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72 | -32.2 | 174.1 | -78 | 166.6 | 0 | 0 | 0 | 113.5 | W316 L317 S322 T325 | W316-L320 HydrophobicContact CD2-CD1 3.88Å; W316-L320 HydrophobicContact CE3-CD1 3.51Å; W316-L320 HydrophobicContact CH2-CD1 3.44Å; W316-L320 VanDerWaalsContact CH2-CD1 3.44Å; W316-L320 HydrophobicContact CZ2-CD1 3.78Å; W316-L320 HydrophobicContact CZ3-CD1 3.29Å; W316-L320 PolarHBondContact O-N 3.46Å; L317-L320 PolarHBondContact O-N 2.8Å; L320-S322 VanDerWaalsContact C-N 3.26Å; L320-T325 PolarHBondContact O-OG1 3.39Å |
| 321 | T | 57.7 | Low | 61.7 | Low | 87 Ų | 87 | 105.6 Ų | 105.6 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.2 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | L317 R318 E323 | L317-T321 WeakPolarHBondContact O-CG2 3.46Å; L317-T321 PolarHBondContact O-N 2.91Å; L317-T321 PolarHBondContact O-OG1 3.29Å; R318-T321 WeakPolarHBondContact CA-OG1 3.35Å; R318-T321 PolarHBondContact O-N 3.44Å; R318-T321 PolarHBondContact O-OG1 3.41Å; T321-E323 PolarHBondContact O-N 3.39Å |
| 322 | S | 56.2 | Low | 61.7 | Low | 44 Ų | 44 | 107.6 Ų | 107.6 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -60.3 | 137.1 | 175.9 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | R318 S319 L320 T324 T325 L326 | R318-S322 PolarHBondContact O-N 3.32Å; R318-S322 VanDerWaalsContact O-N 3.15Å; S319-S322 WeakPolarHBondContact O-CB 3.45Å; S319-S322 PolarHBondContact O-N 3.02Å; S319-S322 PolarHBondContact O-OG 3.34Å; L320-S322 VanDerWaalsContact C-N 3.26Å; S322-T324 PolarHBondContact O-N 3.48Å; S322-T325 PolarHBondContact O-N 2.82Å; S322-T325 PolarHBondContact O-OG1 2.89Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; S322-L326 PolarHBondContact O-N 3.08Å |
| 323 | E | 58.3 | Low | 61.4 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59 | -21 | -167.5 | -145.1 | -174.8 | 147.5 | 0 | 0 | 113.3 | T321 R327 | T321-E323 PolarHBondContact O-N 3.39Å; E323-R327 VanDerWaalsContact O-CG 3.25Å; E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 3.44Å; E323-R327 IonicContact OE1-CZ 2.76Å; E323-R327 IonicContact OE1-NE 3.66Å; E323-R327 IonicContact OE1-NH2 3.79Å; E323-R327 PolarHBondContact OE1-NH2 3.25Å |
| 324 | T | 61.6 | Low | 61 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.3 | -35.9 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | S322 R328 | S322-T324 PolarHBondContact O-N 3.48Å; T324-R328 WeakPolarHBondContact O-CG 3.33Å; T324-R328 PolarHBondContact O-N 2.98Å |
| 325 | T | 58.5 | Low | 60.7 | Low | 48 Ų | 48 | 109.5 Ų | 109.5 | 29% | 0.294 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.6 | -38.8 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | L320 S322 R327 R328 L329 | L320-T325 PolarHBondContact O-OG1 3.39Å; S322-T325 PolarHBondContact O-N 2.82Å; S322-T325 PolarHBondContact O-OG1 2.89Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; T325-R327 PolarHBondContact O-N 3.08Å; T325-R328 PolarHBondContact O-N 3.01Å; T325-L329 WeakPolarHBondContact O-CB 3.13Å; T325-L329 PolarHBondContact O-N 3.34Å |
| 326 | L | 60.5 | Low | 60.2 | Low | 99 Ų | 99 | 111.8 Ų | 111.8 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175.5 | -79.3 | 172.1 | 0 | 0 | 0 | 112.9 | S322 L329 R330 | S322-L326 PolarHBondContact O-N 3.08Å; L326-L329 PolarHBondContact O-N 3.47Å; L326-R330 WeakPolarHBondContact O-CB 3.33Å; L326-R330 PolarHBondContact O-N 3.36Å |
| 327 | R | 66.9 | Low | 60 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 173.8 | -73.8 | 176.6 | -169.4 | -152.7 | 6.6 | 111 | E323 T325 L329 R330 Y331 | E323-R327 VanDerWaalsContact O-CG 3.25Å; E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 3.44Å; E323-R327 IonicContact OE1-CZ 2.76Å; E323-R327 IonicContact OE1-NE 3.66Å; E323-R327 IonicContact OE1-NH2 3.79Å; E323-R327 PolarHBondContact OE1-NH2 3.25Å; T325-R327 PolarHBondContact O-N 3.08Å; R327-L329 PolarHBondContact O-N 2.87Å; R327-R330 PolarHBondContact O-N 3.02Å; R327-Y331 WeakPolarHBondContact O-CD2 3.39Å; R327-Y331 PolarHBondContact O-N 3.44Å; R327-Y331 VanDerWaalsContact O-N 3.16Å |
| 328 | R | 64.3 | Low | 59.6 | Low | 196 Ų | 196 | 111 Ų | 111 | 74% | 0.74 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176.7 | -73.9 | 179.5 | 179.4 | -171.6 | 0.2 | 112.5 | T324 T325 R330 Y331 T332 | T324-R328 WeakPolarHBondContact O-CG 3.33Å; T324-R328 PolarHBondContact O-N 2.98Å; T325-R328 PolarHBondContact O-N 3.01Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R328-R330 PolarHBondContact O-N 2.84Å; R328-Y331 PolarHBondContact O-N 2.87Å; R328-T332 WeakPolarHBondContact O-CG2 3.29Å; R328-T332 PolarHBondContact O-N 2.96Å; R328-T332 PolarHBondContact O-OG1 2.97Å |
| 329 | L | 62.7 | Low | 59.1 | Low | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 178.8 | -124.3 | 147.4 | 0 | 0 | 0 | 112.4 | T325 L326 R327 T332 L333 | T325-L329 WeakPolarHBondContact O-CB 3.13Å; T325-L329 PolarHBondContact O-N 3.34Å; L326-L329 PolarHBondContact O-N 3.47Å; R327-L329 PolarHBondContact O-N 2.87Å; L329-T332 WeakPolarHBondContact CA-OG1 3.39Å; L329-T332 PolarHBondContact O-N 2.84Å; L329-T332 PolarHBondContact O-OG1 3.1Å; L329-L333 HydrophobicContact CD2-CD1 3.43Å; L329-L333 VanDerWaalsContact CD2-CD1 3.43Å; L329-L333 HydrophobicContact CD2-CG 4Å; L329-L333 WeakPolarHBondContact O-CB 3.37Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.32Å |
| 330 | R | 64 | Low | 58.5 | Low | 204 Ų | 204 | 114.1 Ų | 114.1 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.5 | -37.9 | 175.4 | -169.1 | 173.2 | 178.1 | 168 | -1.1 | 112.1 | L326 R327 R328 S334 | L326-R330 WeakPolarHBondContact O-CB 3.33Å; L326-R330 PolarHBondContact O-N 3.36Å; R327-R330 PolarHBondContact O-N 3.02Å; R328-R330 VanDerWaalsContact C-N 3.32Å; R328-R330 PolarHBondContact O-N 2.84Å; R330-S334 PolarHBondContact O-N 3.17Å; R330-S334 VanDerWaalsContact O-N 3.16Å |
| 331 | Y | 62.7 | Low | 58.4 | Low | 187 Ų | 187 | 114.1 Ų | 114.1 | 73% | 0.733 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.5 | -32.4 | 174.9 | -73.2 | -67.1 | 0 | 0 | 0 | 112.9 | R327 R328 P335 | R327-Y331 WeakPolarHBondContact O-CD2 3.39Å; R327-Y331 PolarHBondContact O-N 3.44Å; R327-Y331 VanDerWaalsContact O-N 3.16Å; R328-Y331 PolarHBondContact O-N 2.87Å; Y331-P335 WeakPolarHBondContact O-CD 3.36Å |
| 332 | T | 64.8 | Low | 58 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.3 | -28.1 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | R328 L329 | R328-T332 WeakPolarHBondContact O-CG2 3.29Å; R328-T332 PolarHBondContact O-N 2.96Å; R328-T332 PolarHBondContact O-OG1 2.97Å; L329-T332 WeakPolarHBondContact CA-OG1 3.39Å; L329-T332 PolarHBondContact O-N 2.84Å; L329-T332 PolarHBondContact O-OG1 3.1Å |
| 333 | L | 56.8 | Low | 57.8 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 41% | 0.414 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -88.2 | -19.4 | 179.4 | -72.9 | 174.3 | 0 | 0 | 0 | 114 | L329 L336 L337 | L329-L333 HydrophobicContact CD2-CD1 3.43Å; L329-L333 VanDerWaalsContact CD2-CD1 3.43Å; L329-L333 HydrophobicContact CD2-CG 4Å; L329-L333 WeakPolarHBondContact O-CB 3.37Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.32Å; L333-L336 HydrophobicContact CD2-CD1 4.22Å; L333-L336 PolarHBondContact O-N 2.9Å; L333-L337 PolarHBondContact O-N 2.89Å |
| 334 | S | 54.8 | Low | 57.4 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -55 | -47.4 | 176.9 | -154.4 | 0 | 0 | 0 | 0 | 113.7 | R330 L336 L337 E338 | R330-S334 PolarHBondContact O-N 3.17Å; R330-S334 VanDerWaalsContact O-N 3.16Å; S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact O-N 2.93Å; S334-L337 PolarHBondContact O-N 3.23Å; S334-E338 PolarHBondContact O-N 3.05Å |
| 335 | P | 57.8 | Low | 56.4 | Low | 67 Ų | 67 | 120.2 Ų | 120.2 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.1 | -27.2 | 178.5 | 25.7 | -33.3 | 0 | 0 | 0 | 113.3 | Y331 L339 | Y331-P335 WeakPolarHBondContact O-CD 3.36Å; P335-L339 WeakPolarHBondContact O-CD1 3.36Å; P335-L339 PolarHBondContact O-N 2.74Å |
| 336 | L | 54.1 | Low | 56 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 56% | 0.56 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.2 | -28.7 | 177.6 | -71.4 | 172.2 | 0 | 0 | 0 | 112.5 | L333 S334 R340 | L333-L336 HydrophobicContact CD2-CD1 4.22Å; L333-L336 PolarHBondContact O-N 2.9Å; S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact O-N 2.93Å; L336-R340 PolarHBondContact O-N 3.02Å |
| 337 | L | 56.3 | Low | 55.3 | Low | 114 Ų | 114 | 129.2 Ų | 129.2 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.8 | -33.2 | 173.8 | -77.8 | 164 | 0 | 0 | 0 | 112.3 | L333 S334 R340 A341 | L333-L337 PolarHBondContact O-N 2.89Å; S334-L337 PolarHBondContact O-N 3.23Å; L337-R340 PolarHBondContact O-N 2.91Å; L337-A341 PolarHBondContact O-N 2.99Å |
| 338 | E | 54.3 | Low | 54.7 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66 | -36.9 | 171 | -87.2 | 177.2 | 150.6 | 0 | 0 | 112.5 | S334 R340 A341 N342 | S334-E338 PolarHBondContact O-N 3.05Å; E338-R340 VanDerWaalsContact C-N 3.29Å; E338-R340 PolarHBondContact O-N 3.11Å; E338-A341 PolarHBondContact O-N 3.35Å; E338-N342 PolarHBondContact O-N 3.48Å; E338-N342 PolarHBondContact O-ND2 2.95Å |
| 339 | L | 51.8 | Low | 54.2 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 57% | 0.571 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -28.4 | 174.9 | -83 | 156.8 | 0 | 0 | 0 | 113.3 | P335 | P335-L339 WeakPolarHBondContact O-CD1 3.36Å; P335-L339 PolarHBondContact O-N 2.74Å |
| 340 | R | 48.9 | Very low | 53.8 | Low | 215 Ų | 215 | 126.4 Ų | 126.4 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.1 | -30.8 | 175.7 | -166.5 | 179.7 | -174.8 | -170.3 | 2.3 | 112.8 | L336 L337 E338 N342 | L336-R340 PolarHBondContact O-N 3.02Å; L337-R340 PolarHBondContact O-N 2.91Å; E338-R340 VanDerWaalsContact C-N 3.29Å; E338-R340 PolarHBondContact O-N 3.11Å; R340-N342 VanDerWaalsContact C-N 3.28Å; R340-N342 PolarHBondContact O-N 2.88Å |
| 341 | A | 52.7 | Low | 53.2 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.8 | -27 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L337 E338 G343 | L337-A341 PolarHBondContact O-N 2.99Å; E338-A341 PolarHBondContact O-N 3.35Å; A341-G343 PolarHBondContact O-N 3.31Å |
| 342 | N | 49.4 | Very low | 52.6 | Low | 117 Ų | 117 | 117.8 Ų | 117.8 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 14.8 | -176.8 | -67.6 | -25.9 | 0 | 0 | 0 | 114.9 | E338 R340 L344 | E338-N342 PolarHBondContact O-N 3.48Å; E338-N342 PolarHBondContact O-ND2 2.95Å; R340-N342 VanDerWaalsContact C-N 3.28Å; R340-N342 PolarHBondContact O-N 2.88Å; N342-L344 VanDerWaalsContact C-N 3.28Å; N342-L344 PolarHBondContact O-N 2.98Å |
| 343 | G | 52.3 | Low | 51.8 | Low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 21.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | A341 | A341-G343 PolarHBondContact O-N 3.31Š|
| 344 | L | 51.3 | Low | 51.4 | Low | 145 Ų | 145 | 122.6 Ų | 122.6 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -100.5 | 25.5 | -171.1 | -91.1 | 165.9 | 0 | 0 | 0 | 115.4 | N342 | N342-L344 VanDerWaalsContact C-N 3.28Å; N342-L344 PolarHBondContact O-N 2.98Å | ||
| 345 | L | 39.2 | Very low | 51.1 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -130.4 | 126.4 | 167.4 | -82.5 | 161.8 | 0 | 0 | 0 | 109.9 | ||
| 346 | P | 50.8 | Low | 50.6 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 144 | -179 | 29.8 | -32.5 | 0 | 0 | 0 | 110.4 | ||||
| 347 | T | 46.3 | Very low | 50.3 | Low | 216 Ų | 216 | 134.1 Ų | 134.1 | 100% | 1.325 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 0 | 180 | 48.4 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 347 of 347 residues in 84.6 ms
(Link to these results)