| 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 | 30.8 | Very low | 32.6 | Very low | 229 Ų | 229 | 164.2 Ų | 164.2 | 100% | 1.128 | 86% | 0.855 | S | S | * | * | 0 | 124.9 | 0 | -92.9 | -176.5 | -172.8 | 0 | 0 | 107.9 | |||||
| 2 | F | 29 | Very low | 32.3 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 87% | 0.873 | 85% | 0.849 | S | S | * | * | trans | 60 | 140.6 | 169.3 | -71.6 | -90 | 0 | 0 | 0 | 118 | ||||
| 3 | C | 27.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 76% | 0.757 | 85% | 0.846 | S | S | * | * | cis | -170 | 158.2 | -18.8 | -150.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 4 | C | 38.8 | Very low | 32 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 76% | 0.764 | 85% | 0.849 | S | S | * | * | trans | -68.6 | 162.2 | 176.4 | -59 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | L | 32.9 | Very low | 32.3 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 94% | 0.942 | 84% | 0.841 | S | S | * | * | trans | 150.4 | 109.8 | 151.3 | -81.1 | 167.4 | 0 | 0 | 0 | 104.7 | ||||
| 6 | G | 29.7 | Very low | 32.5 | Very low | 67 Ų | 67 | 148.7 Ų | 148.7 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | cis | 115.2 | 113.8 | 46.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | Y | 26.4 | Very low | 32.7 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 85.4 | 120.3 | 158.7 | -88.2 | -104.6 | 0 | 0 | 0 | 122.5 | ||||
| 8 | E | 31.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 83% | 0.825 | S | S | * | * | trans | 69.8 | 102.3 | 139.8 | -75.7 | 175.3 | 172 | 0 | 0 | 122.4 | ||||
| 9 | W | 42.5 | Very low | 33.3 | Very low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.924 | 81% | 0.808 | S | S | * | * | 33.9 | 105.5 | 129.2 | -76.9 | 82.1 | 0 | 0 | 0 | 117.4 | |||||
| 10 | L | 35.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -176.4 | 137.9 | 122.1 | -98 | 154.2 | 0 | 0 | 0 | 111.8 | |||||
| 11 | S | 34.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | 95.6 | 132.3 | 147.4 | -151.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 12 | G | 28.7 | Very low | 34.1 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 97.7 | 103.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 13 | G | 30.1 | Very low | 34.7 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | cis | 118.7 | 97.2 | 32.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 14 | C | 30.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 137 Ų | 137 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | trans | -156.3 | 104.4 | 147.4 | -134.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 15 | K | 35.7 | Very low | 35.1 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | trans | -27.9 | 121.4 | 164.7 | -72.4 | 153.8 | 170.7 | 167.6 | 0 | 114.8 | ||||
| 16 | T | 35.3 | Very low | 35.5 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | -113.5 | 102.8 | 142.4 | 48 | 0 | 0 | 0 | 0 | 107.8 | H18 | T16-H18 PolarHBondContact O-N 3.07Š| ||
| 17 | W | 36.7 | Very low | 35.9 | Very low | 206 Ų | 206 | 132.3 Ų | 132.3 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 10.6 | -174.2 | -88.3 | 84.5 | 0 | 0 | 0 | 115.4 | ||
| 18 | H | 36.2 | Very low | 36.3 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -19.1 | -171.8 | -121.2 | -73.1 | 0 | 0 | 0 | 114.4 | T16 V22 | T16-H18 PolarHBondContact O-N 3.07Å; H18-V22 WeakPolarHBondContact O-CG2 3.37Å |
| 19 | S | 40.4 | Very low | 36.8 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 51% | 0.51 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -93.6 | -26.7 | -174.6 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | I23 | S19-I23 WeakPolarHBondContact O-CG1 3.35Å |
| 20 | A | 40.3 | Very low | 36.8 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77.3 | -30.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N24 | A20-N24 PolarHBondContact O-N 3.34Å; A20-N24 VanDerWaalsContact O-N 3.16Å |
| 21 | W | 32.7 | Very low | 37.2 | Very low | 189 Ų | 189 | 128 Ų | 128 | 72% | 0.716 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 177.1 | -159.2 | 64.7 | 0 | 0 | 0 | 111.6 | I23 T25 | W21-I23 PolarHBondContact O-N 3.34Å; W21-T25 WeakPolarHBondContact O-CB 3.38Å; W21-T25 PolarHBondContact O-N 3.34Å; W21-T25 VanDerWaalsContact O-N 3.13Å; W21-T25 PolarHBondContact O-OG1 3.4Å |
| 22 | V | 41.8 | Very low | 37.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73 | -30.6 | -178.9 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | H18 | H18-V22 WeakPolarHBondContact O-CG2 3.37Å |
| 23 | I | 41.2 | Very low | 38 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 65% | 0.651 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -84.4 | -37.8 | -179 | -60.3 | 173.2 | 0 | 0 | 0 | 111.1 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CG1 3.35Å; W21-I23 PolarHBondContact O-N 3.34Å; I23-L26 PolarHBondContact O-N 2.97Å; I23-A27 PolarHBondContact O-N 3.4Å |
| 24 | N | 35.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.4 | -26.9 | 178.5 | -122 | 10.3 | 0 | 0 | 0 | 113.4 | A20 L26 A27 D28 | A20-N24 PolarHBondContact O-N 3.34Å; A20-N24 VanDerWaalsContact O-N 3.16Å; N24-L26 PolarHBondContact O-N 3.4Å; N24-A27 PolarHBondContact O-N 3.48Å; N24-D28 PolarHBondContact O-N 2.95Å |
| 25 | T | 40.2 | Very low | 39.2 | Very low | 59 Ų | 59 | 136.8 Ų | 136.8 | 36% | 0.362 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -71.4 | -17.7 | 173.4 | -45.4 | 0 | 0 | 0 | 0 | 112.3 | W21 | W21-T25 WeakPolarHBondContact O-CB 3.38Å; W21-T25 PolarHBondContact O-N 3.34Å; W21-T25 VanDerWaalsContact O-N 3.13Å; W21-T25 PolarHBondContact O-OG1 3.4Å |
| 26 | L | 39.7 | Very low | 39.2 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -87.6 | -26.9 | 177 | -161.5 | 71.5 | 0 | 0 | 0 | 112.8 | I23 N24 | I23-L26 PolarHBondContact O-N 2.97Å; N24-L26 PolarHBondContact O-N 3.4Å |
| 27 | A | 39.9 | Very low | 39.6 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 53% | 0.529 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -80.5 | -33.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 N24 H29 R30 | I23-A27 PolarHBondContact O-N 3.4Å; N24-A27 PolarHBondContact O-N 3.48Å; A27-H29 VanDerWaalsContact C-N 3.27Å; A27-H29 PolarHBondContact O-N 3.11Å; A27-R30 PolarHBondContact O-N 2.92Å |
| 28 | D | 34.9 | Very low | 40.1 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 3.8 | -175.4 | -153.3 | 45.9 | 0 | 0 | 0 | 114.4 | N24 | N24-D28 PolarHBondContact O-N 2.95Š|
| 29 | H | 41.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 125.4 Ų | 125.4 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 12.1 | 172.3 | -82.5 | 12.8 | 0 | 0 | 0 | 113.7 | A27 | A27-H29 VanDerWaalsContact C-N 3.27Å; A27-H29 PolarHBondContact O-N 3.11Å |
| 30 | R | 42.1 | Very low | 41.6 | Very low | 214 Ų | 214 | 126.6 Ų | 126.6 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -96.6 | 10.6 | 176.8 | -73.6 | -157.1 | 178.1 | -146.8 | 2.2 | 115.7 | A27 | A27-R30 PolarHBondContact O-N 2.92Š|
| 31 | H | 43.8 | Very low | 42 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -145.4 | 77.8 | 172.5 | -84.5 | -70.4 | 0 | 0 | 0 | 113.5 | ||
| 32 | R | 38.1 | Very low | 43.2 | Very low | 252 Ų | 252 | 127.6 Ų | 127.6 | 95% | 0.951 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -168.9 | 126.8 | 135.1 | -114.9 | 171.5 | 168.3 | -149 | -3.3 | 109.9 | ||
| 33 | G | 42.5 | Very low | 44.1 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -58.2 | 142.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 34 | T | 39.2 | Very low | 45 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | 173.8 | 117.2 | 130 | 24.5 | 0 | 0 | 0 | 0 | 107.9 | F36 | T34-F36 PolarHBondContact O-N 3.29Š| |||
| 35 | D | 45.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 125.5 Ų | 125.5 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | 29.6 | 86.1 | 141.4 | -51.6 | -36.5 | 0 | 0 | 0 | 117.6 | ||||
| 36 | F | 36.5 | Very low | 47.1 | Very low | 205 Ų | 205 | 126.8 Ų | 126.8 | 90% | 0.899 | 68% | 0.682 | S | S | * | * | trans | -136.6 | 95 | 151.1 | -101.6 | -85 | 0 | 0 | 0 | 109.9 | T34 G38 | T34-F36 PolarHBondContact O-N 3.29Å; F36-G38 PolarHBondContact O-N 3.49Å | ||
| 37 | G | 44.1 | Very low | 48.1 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | trans | -64.1 | 68.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S39 | G37-S39 PolarHBondContact O-N 3.43Š| ||
| 38 | G | 45.2 | Very low | 49 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | trans | -87.5 | 79.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F36 | F36-G38 PolarHBondContact O-N 3.49Š| ||
| 39 | S | 53.3 | Low | 50.4 | Low | 66 Ų | 66 | 126.2 Ų | 126.2 | 46% | 0.462 | 67% | 0.667 | S | S | . | * | trans | -49 | 133.8 | -171.8 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | G37 W41 L42 | G37-S39 PolarHBondContact O-N 3.43Å; S39-W41 PolarHBondContact O-N 3.34Å; S39-L42 PolarHBondContact O-N 3.43Å | ||
| 40 | P | 56.3 | Low | 51.5 | Low | 97 Ų | 97 | 127.1 Ų | 127.1 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -46.6 | -24.9 | 169.4 | -29.3 | 34.8 | 0 | 0 | 0 | 113.9 | L42 L43 I44 | P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.45Å; P40-L43 PolarHBondContact O-N 3.09Å; P40-I44 WeakPolarHBondContact O-CG1 3.4Å; P40-I44 PolarHBondContact O-N 3.02Å |
| 41 | W | 48.5 | Very low | 52.3 | Low | 168 Ų | 168 | 120.2 Ų | 120.2 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.5 | -37.4 | 171 | -101.8 | 77.5 | 0 | 0 | 0 | 115.4 | S39 I44 I45 | S39-W41 PolarHBondContact O-N 3.34Å; W41-I44 PolarHBondContact O-N 3.39Å; W41-I45 HydrophobicContact CE3-CD1 3.8Å; W41-I45 HydrophobicContact CE3-CG1 4.19Å; W41-I45 HydrophobicContact CZ3-CD1 4.33Å; W41-I45 WeakPolarHBondContact O-CB 3.48Å; W41-I45 WeakPolarHBondContact O-CD1 3.35Å; W41-I45 WeakPolarHBondContact O-CG1 3.37Å; W41-I45 PolarHBondContact O-N 2.94Å |
| 42 | L | 57.6 | Low | 53.5 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.7 | -35.2 | 179.3 | -71 | 173.6 | 0 | 0 | 0 | 112.1 | S39 P40 T46 | S39-L42 PolarHBondContact O-N 3.43Å; P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.45Å; L42-T46 WeakPolarHBondContact O-CB 2.98Å; L42-T46 WeakPolarHBondContact O-CG2 3.18Å; L42-T46 PolarHBondContact O-N 3.06Å; L42-T46 PolarHBondContact O-OG1 2.9Å |
| 43 | L | 59.7 | Low | 54.8 | Low | 127 Ų | 127 | 111.5 Ų | 111.5 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 171.5 | -81.6 | 162.6 | 0 | 0 | 0 | 110.7 | P40 T46 V47 | P40-L43 PolarHBondContact O-N 3.09Å; L43-T46 WeakPolarHBondContact CA-OG1 3.34Å; L43-T46 PolarHBondContact O-N 3.39Å; L43-T46 PolarHBondContact O-OG1 2.67Å; L43-V47 WeakPolarHBondContact O-CB 3.08Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.1Å |
| 44 | I | 60.4 | Low | 55.1 | Low | 102 Ų | 102 | 113.9 Ų | 113.9 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.6 | -46.6 | 176.2 | -65.7 | 164.5 | 0 | 0 | 0 | 110.8 | P40 W41 T46 V47 F48 | P40-I44 WeakPolarHBondContact O-CG1 3.4Å; P40-I44 PolarHBondContact O-N 3.02Å; W41-I44 PolarHBondContact O-N 3.39Å; I44-T46 PolarHBondContact O-N 2.96Å; I44-V47 PolarHBondContact O-N 2.95Å; I44-F48 VanDerWaalsContact O-CB 3.23Å; I44-F48 WeakPolarHBondContact O-CB 3.35Å; I44-F48 PolarHBondContact O-N 2.98Å |
| 45 | I | 58.6 | Low | 56.2 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.6 | -44.4 | 178.8 | -70.1 | 163 | 0 | 0 | 0 | 111.2 | W41 F48 L49 | W41-I45 HydrophobicContact CE3-CD1 3.8Å; W41-I45 HydrophobicContact CE3-CG1 4.19Å; W41-I45 HydrophobicContact CZ3-CD1 4.33Å; W41-I45 WeakPolarHBondContact O-CB 3.48Å; W41-I45 WeakPolarHBondContact O-CD1 3.35Å; W41-I45 WeakPolarHBondContact O-CG1 3.37Å; W41-I45 PolarHBondContact O-N 2.94Å; I45-F48 PolarHBondContact O-N 2.76Å; I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 PolarHBondContact O-N 3.11Å |
| 46 | T | 62.3 | Low | 57.4 | Low | 85 Ų | 85 | 106.4 Ų | 106.4 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.2 | -39.7 | -178.5 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | L42 L43 I44 R50 | L42-T46 WeakPolarHBondContact O-CB 2.98Å; L42-T46 WeakPolarHBondContact O-CG2 3.18Å; L42-T46 PolarHBondContact O-N 3.06Å; L42-T46 PolarHBondContact O-OG1 2.9Å; L43-T46 WeakPolarHBondContact CA-OG1 3.34Å; L43-T46 PolarHBondContact O-N 3.39Å; L43-T46 PolarHBondContact O-OG1 2.67Å; I44-T46 PolarHBondContact O-N 2.96Å; T46-R50 WeakPolarHBondContact O-CB 3.47Å; T46-R50 PolarHBondContact O-N 2.97Å |
| 47 | V | 60.6 | Low | 58.6 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L43 I44 R50 S51 | L43-V47 WeakPolarHBondContact O-CB 3.08Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.1Å; I44-V47 PolarHBondContact O-N 2.95Å; V47-R50 PolarHBondContact O-N 3.48Å; V47-S51 WeakPolarHBondContact O-CB 3.25Å; V47-S51 PolarHBondContact O-N 3.05Å; V47-S51 PolarHBondContact O-OG 3.39Å |
| 48 | F | 57.2 | Low | 59.3 | Low | 145 Ų | 145 | 101.1 Ų | 101.1 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 178.8 | -160.6 | -93.8 | 0 | 0 | 0 | 112.2 | I44 I45 R50 S51 Y52 | I44-F48 VanDerWaalsContact O-CB 3.23Å; I44-F48 WeakPolarHBondContact O-CB 3.35Å; I44-F48 PolarHBondContact O-N 2.98Å; I45-F48 PolarHBondContact O-N 2.76Å; F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 3.32Å; F48-S51 PolarHBondContact O-N 3.3Å; F48-Y52 WeakPolarHBondContact O-CB 3.41Å; F48-Y52 PolarHBondContact O-N 2.97Å |
| 49 | L | 64.3 | Low | 60.1 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 174.6 | -102.3 | 75.8 | 0 | 0 | 0 | 112.4 | I45 K53 | I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 PolarHBondContact O-N 3.11Å; L49-K53 PolarHBondContact O-N 2.95Å |
| 50 | R | 64.8 | Low | 60.7 | Low | 177 Ų | 177 | 102.1 Ų | 102.1 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.8 | -49.2 | 176.8 | -174.2 | 171.3 | 176 | 140.1 | -1.8 | 110.2 | T46 V47 F48 Y52 K53 F54 | T46-R50 WeakPolarHBondContact O-CB 3.47Å; T46-R50 PolarHBondContact O-N 2.97Å; V47-R50 PolarHBondContact O-N 3.48Å; F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 3.32Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 3.37Å; R50-K53 PolarHBondContact O-N 3.46Å; R50-F54 HydrophobicContact CG-CD2 4.16Å; R50-F54 HydrophobicContact CG-CE2 4.18Å; R50-F54 WeakPolarHBondContact O-CD2 3.3Å; R50-F54 PolarHBondContact O-N 2.99Å |
| 51 | S | 60.6 | Low | 61 | Low | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | V47 F48 F54 A55 | V47-S51 WeakPolarHBondContact O-CB 3.25Å; V47-S51 PolarHBondContact O-N 3.05Å; V47-S51 PolarHBondContact O-OG 3.39Å; F48-S51 PolarHBondContact O-N 3.3Å; S51-F54 WeakPolarHBondContact O-CB 3.39Å; S51-F54 PolarHBondContact O-N 2.96Å; S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.5Å |
| 52 | Y | 68.8 | Low | 61.9 | Low | 101 Ų | 101 | 99.7 Ų | 99.7 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.3 | 176.2 | -106.3 | 0 | 0 | 0 | 112.3 | F48 R50 F54 A55 I56 W110 | F48-Y52 WeakPolarHBondContact O-CB 3.41Å; F48-Y52 PolarHBondContact O-N 2.97Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 3.37Å; Y52-F54 VanDerWaalsContact C-N 3.31Å; Y52-F54 PolarHBondContact O-N 3.41Å; Y52-A55 PolarHBondContact O-N 2.96Å; Y52-I56 HydrophobicContact CD1-CD1 3.63Å; Y52-I56 HydrophobicContact CD2-CD1 4.42Å; Y52-I56 HydrophobicContact CE1-CD1 3.12Å; Y52-I56 HydrophobicContact CE1-CG1 4.17Å; Y52-I56 HydrophobicContact CE2-CD1 4Å; Y52-I56 HydrophobicContact CE2-CG1 4.2Å; Y52-I56 HydrophobicContact CG-CD1 4.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 2.96Å; Y52-W110 PolarHBondContact OH-NE1 3.27Å |
| 53 | K | 64.6 | Low | 62.3 | Low | 149 Ų | 149 | 98.3 Ų | 98.3 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 172.8 | -81.8 | 179.8 | 169.6 | 170.6 | 0 | 112.2 | L49 R50 S57 | L49-K53 PolarHBondContact O-N 2.95Å; R50-K53 PolarHBondContact O-N 3.46Å; K53-S57 WeakPolarHBondContact O-CB 3.35Å; K53-S57 PolarHBondContact O-N 3.46Å |
| 54 | F | 49.5 | Very low | 62.3 | Low | 121 Ų | 121 | 95.7 Ų | 95.7 | 53% | 0.531 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 173.9 | -91.7 | -81.7 | 0 | 0 | 0 | 112.3 | R50 S51 Y52 S57 L58 | R50-F54 HydrophobicContact CG-CD2 4.16Å; R50-F54 HydrophobicContact CG-CE2 4.18Å; R50-F54 WeakPolarHBondContact O-CD2 3.3Å; R50-F54 PolarHBondContact O-N 2.99Å; S51-F54 WeakPolarHBondContact O-CB 3.39Å; S51-F54 PolarHBondContact O-N 2.96Å; Y52-F54 VanDerWaalsContact C-N 3.31Å; Y52-F54 PolarHBondContact O-N 3.41Å; F54-S57 PolarHBondContact O-N 3.46Å; F54-L58 WeakPolarHBondContact O-CB 3.46Å; F54-L58 WeakPolarHBondContact O-CG 3.29Å; F54-L58 PolarHBondContact O-N 2.9Å |
| 55 | A | 62.7 | Low | 62.2 | Low | 51 Ų | 51 | 95.1 Ų | 95.1 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S51 Y52 L58 C59 | S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.5Å; Y52-A55 PolarHBondContact O-N 2.96Å; A55-L58 PolarHBondContact O-N 3.03Å; A55-C59 WeakPolarHBondContact O-CB 3.44Å; A55-C59 PolarHBondContact O-N 3.04Å |
| 56 | I | 69.2 | Low | 62.3 | Low | 65 Ų | 65 | 94 Ų | 94 | 33% | 0.333 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 172.3 | -66.9 | 162.5 | 0 | 0 | 0 | 110.2 | Y52 L58 C59 T60 | Y52-I56 HydrophobicContact CD1-CD1 3.63Å; Y52-I56 HydrophobicContact CD2-CD1 4.42Å; Y52-I56 HydrophobicContact CE1-CD1 3.12Å; Y52-I56 HydrophobicContact CE1-CG1 4.17Å; Y52-I56 HydrophobicContact CE2-CD1 4Å; Y52-I56 HydrophobicContact CE2-CG1 4.2Å; Y52-I56 HydrophobicContact CG-CD1 4.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 2.96Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3.11Å; I56-C59 PolarHBondContact O-N 2.92Å; I56-C59 VanDerWaalsContact O-N 3.16Å; I56-T60 WeakPolarHBondContact O-CB 3.47Å; I56-T60 PolarHBondContact O-N 3.3Å; I56-T60 PolarHBondContact O-OG1 3.04Å |
| 57 | S | 61.7 | Low | 62 | Low | 63 Ų | 63 | 95.5 Ų | 95.5 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | K53 F54 T60 T61 | K53-S57 WeakPolarHBondContact O-CB 3.35Å; K53-S57 PolarHBondContact O-N 3.46Å; F54-S57 PolarHBondContact O-N 3.46Å; S57-T60 PolarHBondContact O-N 2.93Å; S57-T61 WeakPolarHBondContact O-CB 3.41Å; S57-T61 WeakPolarHBondContact O-CG2 3.34Å; S57-T61 PolarHBondContact O-N 2.8Å; S57-T61 PolarHBondContact O-OG1 2.96Å |
| 58 | L | 59.5 | Low | 61.8 | Low | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 175 | -74.8 | 167.7 | 0 | 0 | 0 | 112.5 | F54 A55 I56 T61 Y62 | F54-L58 WeakPolarHBondContact O-CB 3.46Å; F54-L58 WeakPolarHBondContact O-CG 3.29Å; F54-L58 PolarHBondContact O-N 2.9Å; A55-L58 PolarHBondContact O-N 3.03Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3.11Å; L58-T61 VanDerWaalsContact CA-OG1 3.28Å; L58-T61 WeakPolarHBondContact CA-OG1 3.22Å; L58-T61 PolarHBondContact O-OG1 3.24Å; L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.41Å |
| 59 | C | 61.1 | Low | 61.7 | Low | 68 Ų | 68 | 97.4 Ų | 97.4 | 46% | 0.459 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 173.2 | -92.6 | 0 | 0 | 0 | 0 | 112 | A55 I56 Y62 L63 | A55-C59 WeakPolarHBondContact O-CB 3.44Å; A55-C59 PolarHBondContact O-N 3.04Å; I56-C59 PolarHBondContact O-N 2.92Å; I56-C59 VanDerWaalsContact O-N 3.16Å; C59-Y62 PolarHBondContact O-N 2.77Å; C59-L63 WeakPolarHBondContact O-CB 3.49Å; C59-L63 VanDerWaalsContact O-CG 3.22Å; C59-L63 WeakPolarHBondContact O-CG 3.45Å; C59-L63 PolarHBondContact O-N 3.03Å |
| 60 | T | 66.5 | Low | 61.1 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | I56 S57 L63 C64 | I56-T60 WeakPolarHBondContact O-CB 3.47Å; I56-T60 PolarHBondContact O-N 3.3Å; I56-T60 PolarHBondContact O-OG1 3.04Å; S57-T60 PolarHBondContact O-N 2.93Å; T60-L63 PolarHBondContact O-N 3.2Å; T60-C64 WeakPolarHBondContact O-CB 3.47Å; T60-C64 PolarHBondContact O-N 3.3Å; T60-C64 PolarHBondContact O-SG 3Å |
| 61 | T | 63.6 | Low | 60.3 | Low | 71 Ų | 71 | 92.5 Ų | 92.5 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.9 | 47.5 | 0 | 0 | 0 | 0 | 112 | S57 L58 C64 V65 | S57-T61 WeakPolarHBondContact O-CB 3.41Å; S57-T61 WeakPolarHBondContact O-CG2 3.34Å; S57-T61 PolarHBondContact O-N 2.8Å; S57-T61 PolarHBondContact O-OG1 2.96Å; L58-T61 VanDerWaalsContact CA-OG1 3.28Å; L58-T61 WeakPolarHBondContact CA-OG1 3.22Å; L58-T61 PolarHBondContact O-OG1 3.24Å; T61-C64 PolarHBondContact O-N 3.05Å; T61-V65 VanDerWaalsContact O-CG2 3.29Å; T61-V65 WeakPolarHBondContact O-CG2 3.34Å; T61-V65 PolarHBondContact O-N 3.04Å |
| 62 | Y | 65.8 | Low | 59.6 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 175.9 | -174.3 | -97.1 | 0 | 0 | 0 | 112.7 | L58 C59 V65 S66 | L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.41Å; C59-Y62 PolarHBondContact O-N 2.77Å; Y62-V65 PolarHBondContact O-N 3.37Å; Y62-S66 WeakPolarHBondContact O-CB 3.47Å; Y62-S66 PolarHBondContact O-N 3.06Å; Y62-S66 PolarHBondContact O-OG 2.98Å |
| 63 | L | 66.6 | Low | 58.7 | Low | 86 Ų | 86 | 96.2 Ų | 96.2 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 173.7 | -73.3 | 169.2 | 0 | 0 | 0 | 111.2 | C59 T60 S66 F67 | C59-L63 WeakPolarHBondContact O-CB 3.49Å; C59-L63 VanDerWaalsContact O-CG 3.22Å; C59-L63 WeakPolarHBondContact O-CG 3.45Å; C59-L63 PolarHBondContact O-N 3.03Å; T60-L63 PolarHBondContact O-N 3.2Å; L63-S66 PolarHBondContact O-N 3.5Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 3.34Å |
| 64 | C | 60.5 | Low | 57.7 | Low | 72 Ų | 72 | 94 Ų | 94 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.3 | -84.5 | 0 | 0 | 0 | 0 | 112.4 | T60 T61 S66 F67 L68 | T60-C64 WeakPolarHBondContact O-CB 3.47Å; T60-C64 PolarHBondContact O-N 3.3Å; T60-C64 PolarHBondContact O-SG 3Å; T61-C64 PolarHBondContact O-N 3.05Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 3.18Å; C64-F67 PolarHBondContact O-N 3.25Å; C64-L68 WeakPolarHBondContact O-CB 3.47Å; C64-L68 WeakPolarHBondContact O-CD1 3.46Å; C64-L68 WeakPolarHBondContact O-CG 3.38Å; C64-L68 PolarHBondContact O-N 3.46Å |
| 65 | V | 57.8 | Low | 57.5 | Low | 90 Ų | 90 | 97.2 Ų | 97.2 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | T61 Y62 K69 | T61-V65 VanDerWaalsContact O-CG2 3.29Å; T61-V65 WeakPolarHBondContact O-CG2 3.34Å; T61-V65 PolarHBondContact O-N 3.04Å; Y62-V65 PolarHBondContact O-N 3.37Å; V65-K69 VanDerWaalsContact O-CB 3.29Å; V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 3.4Å |
| 66 | S | 61 | Low | 56.8 | Low | 48 Ų | 48 | 100.7 Ų | 100.7 | 34% | 0.336 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | Y62 L63 C64 K69 T70 | Y62-S66 WeakPolarHBondContact O-CB 3.47Å; Y62-S66 PolarHBondContact O-N 3.06Å; Y62-S66 PolarHBondContact O-OG 2.98Å; L63-S66 PolarHBondContact O-N 3.5Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 3.18Å; S66-K69 PolarHBondContact O-N 3.49Å; S66-T70 WeakPolarHBondContact O-CG2 3.35Å; S66-T70 PolarHBondContact O-N 3.49Å |
| 67 | F | 54.9 | Low | 55.6 | Low | 115 Ų | 115 | 101 Ų | 101 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -45.5 | 176.9 | -168.3 | -110.5 | 0 | 0 | 0 | 112.3 | L63 C64 K69 T70 I71 | L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 3.34Å; C64-F67 PolarHBondContact O-N 3.25Å; F67-K69 VanDerWaalsContact C-N 3.3Å; F67-K69 PolarHBondContact O-N 3.2Å; F67-T70 WeakPolarHBondContact O-CA 3.2Å; F67-T70 PolarHBondContact O-N 3.44Å; F67-T70 PolarHBondContact O-OG1 3.14Å; F67-I71 HydrophobicContact CD1-CD1 3.54Å; F67-I71 HydrophobicContact CE1-CD1 3.16Å; F67-I71 HydrophobicContact CE1-CG1 4.35Å; F67-I71 HydrophobicContact CE2-CD1 4.28Å; F67-I71 HydrophobicContact CG-CD1 4.27Å; F67-I71 HydrophobicContact CZ-CD1 3.58Å; F67-I71 PolarHBondContact O-N 3.38Å |
| 68 | L | 56.8 | Low | 55.1 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.6 | -39 | 174.9 | -84 | 153.4 | 0 | 0 | 0 | 112.2 | C64 T70 I71 F72 | C64-L68 WeakPolarHBondContact O-CB 3.47Å; C64-L68 WeakPolarHBondContact O-CD1 3.46Å; C64-L68 WeakPolarHBondContact O-CG 3.38Å; C64-L68 PolarHBondContact O-N 3.46Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.29Å; L68-I71 PolarHBondContact O-N 3.17Å; L68-F72 HydrophobicContact CD2-CE2 4.49Å; L68-F72 PolarHBondContact O-N 3.37Å; L68-F72 VanDerWaalsContact O-N 3.1Å |
| 69 | K | 55 | Low | 54.3 | Low | 175 Ų | 175 | 109.3 Ų | 109.3 | 76% | 0.761 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.4 | -21.8 | 175.4 | -163 | 173.6 | -177.9 | 94.1 | 0 | 113 | V65 S66 F67 | V65-K69 VanDerWaalsContact O-CB 3.29Å; V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 3.4Å; S66-K69 PolarHBondContact O-N 3.49Å; F67-K69 VanDerWaalsContact C-N 3.3Å; F67-K69 PolarHBondContact O-N 3.2Å |
| 70 | T | 52.6 | Low | 54 | Low | 80 Ų | 80 | 110 Ų | 110 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -85.7 | -24.7 | 172.2 | 62.7 | 0 | 0 | 0 | 0 | 114 | S66 F67 L68 Q96 | S66-T70 WeakPolarHBondContact O-CG2 3.35Å; S66-T70 PolarHBondContact O-N 3.49Å; F67-T70 WeakPolarHBondContact O-CA 3.2Å; F67-T70 PolarHBondContact O-N 3.44Å; F67-T70 PolarHBondContact O-OG1 3.14Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.29Å; T70-Q96 PolarHBondContact OG1-NE2 3.12Å |
| 71 | I | 48.5 | Very low | 53.3 | Low | 90 Ų | 90 | 109.2 Ų | 109.2 | 46% | 0.462 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -87.7 | -30.7 | -178.6 | -69.7 | 176.2 | 0 | 0 | 0 | 112.6 | F67 L68 P73 | F67-I71 HydrophobicContact CD1-CD1 3.54Å; F67-I71 HydrophobicContact CE1-CD1 3.16Å; F67-I71 HydrophobicContact CE1-CG1 4.35Å; F67-I71 HydrophobicContact CE2-CD1 4.28Å; F67-I71 HydrophobicContact CG-CD1 4.27Å; F67-I71 HydrophobicContact CZ-CD1 3.58Å; F67-I71 PolarHBondContact O-N 3.38Å; L68-I71 PolarHBondContact O-N 3.17Å; I71-P73 VanDerWaalsContact C-CD 3.49Å; I71-P73 WeakPolarHBondContact O-CD 3.42Å |
| 72 | F | 44 | Very low | 53 | Low | 153 Ų | 153 | 111.7 Ų | 111.7 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | trans | -104.1 | 89 | 173.3 | -75.4 | -86.4 | 0 | 0 | 0 | 110.4 | L68 S74 | L68-F72 HydrophobicContact CD2-CE2 4.49Å; L68-F72 PolarHBondContact O-N 3.37Å; L68-F72 VanDerWaalsContact O-N 3.1Å; F72-S74 PolarHBondContact O-N 2.69Å; F72-S74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | P | 50.9 | Low | 52.6 | Low | 95 Ų | 95 | 110 Ų | 110 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | trans | -59.1 | 119 | 157.9 | -3.2 | 13.2 | 0 | 0 | 0 | 106.8 | I71 Q75 | I71-P73 VanDerWaalsContact C-CD 3.49Å; I71-P73 WeakPolarHBondContact O-CD 3.42Å; P73-Q75 PolarHBondContact O-N 3.32Å | ||
| 74 | S | 43.6 | Very low | 52.1 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | trans | -55.2 | 113.9 | 170.8 | 58.3 | 0 | 0 | 0 | 0 | 108.1 | F72 N76 | F72-S74 PolarHBondContact O-N 2.69Å; F72-S74 VanDerWaalsContact O-N 3.16Å; S74-N76 VanDerWaalsContact C-N 3.3Å; S74-N76 PolarHBondContact O-N 2.96Å | ||
| 75 | Q | 45.1 | Very low | 51.9 | Low | 187 Ų | 187 | 112.7 Ų | 112.7 | 87% | 0.874 | 64% | 0.636 | S | S | * | * | trans | -55 | 98 | 161.5 | -90.3 | 172.8 | -15.7 | 0 | 0 | 107.1 | P73 | P73-Q75 PolarHBondContact O-N 3.32Š| ||
| 76 | N | 49.1 | Very low | 51.8 | Low | 124 Ų | 124 | 113.2 Ų | 113.2 | 66% | 0.663 | 63% | 0.633 | S | S | * | * | trans | -166.4 | 112.5 | 162.4 | -92.3 | -31.3 | 0 | 0 | 0 | 108 | S74 | S74-N76 VanDerWaalsContact C-N 3.3Å; S74-N76 PolarHBondContact O-N 2.96Å | ||
| 77 | G | 43.8 | Very low | 51.8 | Low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | trans | 119.7 | 84.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D79 | G77-D79 PolarHBondContact O-N 3.23Š| ||
| 78 | H | 50 | Low | 51.8 | Low | 196 Ų | 196 | 117.1 Ų | 117.1 | 91% | 0.907 | 65% | 0.648 | S | S | * | * | trans | -60.8 | 111.5 | 156.6 | -82.7 | -85.8 | 0 | 0 | 0 | 108.1 | ||||
| 79 | D | 43.6 | Very low | 51.6 | Low | 156 Ų | 156 | 120.7 Ų | 120.7 | 83% | 0.834 | 66% | 0.655 | S | S | * | * | trans | -155.7 | 127.9 | 145.6 | -114.8 | -21.4 | 0 | 0 | 0 | 110.5 | G77 S81 | G77-D79 PolarHBondContact O-N 3.23Å; D79-S81 PolarHBondContact O-N 3.46Å | ||
| 80 | G | 54.2 | Low | 51.5 | Low | 83 Ų | 83 | 120.7 Ų | 120.7 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | trans | -71.3 | 104 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 81 | S | 51.8 | Low | 51.5 | Low | 59 Ų | 59 | 119.8 Ų | 119.8 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | trans | -149.6 | 91.1 | 149.9 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | D79 D83 V84 Q85 | D79-S81 PolarHBondContact O-N 3.46Å; S81-D83 PolarHBondContact O-N 3.47Å; S81-V84 PolarHBondContact O-N 3.42Å; S81-Q85 PolarHBondContact O-N 2.94Å | ||
| 82 | T | 57.1 | Low | 51.7 | Low | 123 Ų | 123 | 120.2 Ų | 120.2 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.3 | -28.8 | 179.8 | 33.1 | 0 | 0 | 0 | 0 | 112.3 | Q86 | T82-Q86 WeakPolarHBondContact O-CB 3.49Å; T82-Q86 PolarHBondContact O-N 3.49Å; T82-Q86 VanDerWaalsContact O-N 3.13Å |
| 83 | D | 58 | Low | 51.9 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 57% | 0.572 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.1 | -42.4 | -178.5 | -170.1 | 64.3 | 0 | 0 | 0 | 113.3 | S81 Q86 R87 | S81-D83 PolarHBondContact O-N 3.47Å; D83-Q86 PolarHBondContact O-N 3.09Å; D83-R87 WeakPolarHBondContact O-CB 3.44Å; D83-R87 PolarHBondContact O-N 3.35Å |
| 84 | V | 56.7 | Low | 51.9 | Low | 96 Ų | 96 | 126.2 Ų | 126.2 | 58% | 0.582 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.8 | -40.4 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | S81 Q86 A88 | S81-V84 PolarHBondContact O-N 3.42Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 2.91Å |
| 85 | Q | 56.2 | Low | 52.2 | Low | 118 Ų | 118 | 129.3 Ų | 129.3 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.6 | -35.5 | 175.4 | -69.5 | -159.1 | -7.5 | 0 | 0 | 112.3 | S81 A88 R89 | S81-Q85 PolarHBondContact O-N 2.94Å; Q85-A88 PolarHBondContact O-N 2.95Å; Q85-R89 WeakPolarHBondContact O-CB 3.35Å; Q85-R89 PolarHBondContact O-N 2.68Å |
| 86 | Q | 55.5 | Low | 52.3 | Low | 102 Ų | 102 | 124.3 Ų | 124.3 | 48% | 0.477 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.9 | -37.5 | 178.1 | -166.3 | 144.4 | -40.2 | 0 | 0 | 112.1 | T82 D83 V84 R89 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.49Å; T82-Q86 PolarHBondContact O-N 3.49Å; T82-Q86 VanDerWaalsContact O-N 3.13Å; D83-Q86 PolarHBondContact O-N 3.09Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; Q86-R89 PolarHBondContact O-N 2.78Å; Q86-R90 WeakPolarHBondContact O-CG 3.32Å; Q86-R90 PolarHBondContact O-N 2.98Å |
| 87 | R | 60.6 | Low | 52.2 | Low | 191 Ų | 191 | 123 Ų | 123 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.6 | -40 | 172.3 | -170.1 | 179.1 | -83.7 | -147 | -2.5 | 111.9 | D83 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.44Å; D83-R87 PolarHBondContact O-N 3.35Å; R87-R90 PolarHBondContact O-N 2.95Å; R87-S91 WeakPolarHBondContact O-CB 3.33Å; R87-S91 PolarHBondContact O-N 3.29Å; R87-S91 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 54.8 | Low | 52.5 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V84 Q85 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 2.91Å; Q85-A88 PolarHBondContact O-N 2.95Å; A88-S91 PolarHBondContact O-N 3.19Å; A88-N92 PolarHBondContact O-N 2.91Å |
| 89 | R | 52.6 | Low | 52.5 | Low | 172 Ų | 172 | 116.9 Ų | 116.9 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -45.5 | 173.8 | -87.3 | -176.1 | 174.9 | 143.7 | -1.3 | 112.7 | Q85 Q86 S91 N92 R93 | Q85-R89 WeakPolarHBondContact O-CB 3.35Å; Q85-R89 PolarHBondContact O-N 2.68Å; Q86-R89 PolarHBondContact O-N 2.78Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 2.97Å; R89-N92 PolarHBondContact O-N 3.28Å; R89-R93 PolarHBondContact O-N 3.42Å; R89-R93 VanDerWaalsContact O-N 3.07Å |
| 90 | R | 53.8 | Low | 53.1 | Low | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64 | -36.4 | 178.5 | -74.6 | -180 | 179.3 | 179.3 | 0.6 | 112.3 | Q86 R87 | Q86-R90 WeakPolarHBondContact O-CG 3.32Å; Q86-R90 PolarHBondContact O-N 2.98Å; R87-R90 PolarHBondContact O-N 2.95Å |
| 91 | S | 52.8 | Low | 53.4 | Low | 61 Ų | 61 | 116.3 Ų | 116.3 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -42 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | R87 A88 R89 R95 | R87-S91 WeakPolarHBondContact O-CB 3.33Å; R87-S91 PolarHBondContact O-N 3.29Å; R87-S91 VanDerWaalsContact O-N 3.09Å; A88-S91 PolarHBondContact O-N 3.19Å; R89-S91 VanDerWaalsContact C-N 3.32Å; R89-S91 PolarHBondContact O-N 2.97Å; S91-R95 PolarHBondContact O-N 3.36Å |
| 92 | N | 51.6 | Low | 53.5 | Low | 98 Ų | 98 | 117.5 Ų | 117.5 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.6 | -33.8 | 178.2 | -97.2 | -30.1 | 0 | 0 | 0 | 113.3 | A88 R89 R95 Q96 | A88-N92 PolarHBondContact O-N 2.91Å; R89-N92 PolarHBondContact O-N 3.28Å; N92-R95 PolarHBondContact O-N 3.04Å; N92-Q96 PolarHBondContact O-N 3.09Å |
| 93 | R | 48 | Very low | 53.2 | Low | 174 Ų | 174 | 115.7 Ų | 115.7 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 176.9 | -167.3 | 174.3 | -176.1 | 170.8 | 4.1 | 112.1 | R89 R95 Q96 E97 | R89-R93 PolarHBondContact O-N 3.42Å; R89-R93 VanDerWaalsContact O-N 3.07Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.42Å; R93-Q96 PolarHBondContact O-N 3.25Å; R93-E97 IonicContact NE-OE1 3.96Å; R93-E97 WeakPolarHBondContact O-CG 3.47Å; R93-E97 PolarHBondContact O-N 3.4Å |
| 94 | R | 51 | Low | 53.4 | Low | 200 Ų | 200 | 115.5 Ų | 115.5 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -34.3 | 175.6 | -66 | -171.1 | -173.9 | -159 | 1.8 | 112.8 | G98 | R94-G98 PolarHBondContact O-N 3.06Å; R94-G98 VanDerWaalsContact O-N 3.09Å |
| 95 | R | 50.8 | Low | 53.6 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.1 | -37.8 | 174.5 | -73.4 | -171.8 | 179.4 | -148.1 | -0.6 | 112.8 | S91 N92 R93 E97 G98 I99 | S91-R95 PolarHBondContact O-N 3.36Å; N92-R95 PolarHBondContact O-N 3.04Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.42Å; R95-E97 VanDerWaalsContact C-N 3.33Å; R95-G98 PolarHBondContact O-N 2.93Å; R95-I99 VanDerWaalsContact O-CG1 3.3Å; R95-I99 WeakPolarHBondContact O-CG1 3.45Å; R95-I99 PolarHBondContact O-N 3Å |
| 96 | Q | 46.8 | Very low | 53.8 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 38% | 0.383 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173 | -97.9 | -179 | -17.9 | 0 | 0 | 111.7 | T70 N92 R93 I99 K100 | T70-Q96 PolarHBondContact OG1-NE2 3.12Å; N92-Q96 PolarHBondContact O-N 3.09Å; R93-Q96 PolarHBondContact O-N 3.25Å; Q96-I99 PolarHBondContact O-N 3.03Å; Q96-K100 VanDerWaalsContact O-CB 3.26Å; Q96-K100 WeakPolarHBondContact O-CB 3.37Å; Q96-K100 PolarHBondContact O-N 3.34Å |
| 97 | E | 47.5 | Very low | 54.1 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.4 | -73.3 | 160.9 | -172.7 | 0 | 0 | 111.3 | R93 R95 I99 K100 I101 | R93-E97 IonicContact NE-OE1 3.96Å; R93-E97 WeakPolarHBondContact O-CG 3.47Å; R93-E97 PolarHBondContact O-N 3.4Å; R95-E97 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 3.24Å; E97-K100 PolarHBondContact O-N 2.8Å; E97-I101 WeakPolarHBondContact O-CD1 3.46Å; E97-I101 VanDerWaalsContact O-CG1 3.27Å; E97-I101 WeakPolarHBondContact O-CG1 3.23Å; E97-I101 PolarHBondContact O-N 2.91Å |
| 98 | G | 48.9 | Very low | 54.4 | Low | 35 Ų | 35 | 110.5 Ų | 110.5 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | R94 R95 V102 | R94-G98 PolarHBondContact O-N 3.06Å; R94-G98 VanDerWaalsContact O-N 3.09Å; R95-G98 PolarHBondContact O-N 2.93Å; G98-V102 VanDerWaalsContact O-CG2 3.27Å; G98-V102 WeakPolarHBondContact O-CG2 3.21Å; G98-V102 PolarHBondContact O-N 3.33Å; G98-V102 VanDerWaalsContact O-N 3.13Å |
| 99 | I | 51.3 | Low | 54.8 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 54% | 0.544 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 176 | -68.9 | 166 | 0 | 0 | 0 | 110.9 | R95 Q96 E97 V102 L103 | R95-I99 VanDerWaalsContact O-CG1 3.3Å; R95-I99 WeakPolarHBondContact O-CG1 3.45Å; R95-I99 PolarHBondContact O-N 3Å; Q96-I99 PolarHBondContact O-N 3.03Å; E97-I99 PolarHBondContact O-N 3.24Å; I99-V102 PolarHBondContact O-N 2.86Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 2.87Å |
| 100 | K | 55.6 | Low | 55.2 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 177.6 | -175.2 | -178.5 | 173.2 | -170.2 | 0 | 111.4 | Q96 E97 L103 E104 | Q96-K100 VanDerWaalsContact O-CB 3.26Å; Q96-K100 WeakPolarHBondContact O-CB 3.37Å; Q96-K100 PolarHBondContact O-N 3.34Å; E97-K100 PolarHBondContact O-N 2.8Å; K100-L103 PolarHBondContact O-N 2.98Å; K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 WeakPolarHBondContact O-CG 3.3Å; K100-E104 PolarHBondContact O-N 3.32Å |
| 101 | I | 60.4 | Low | 55.4 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 177.6 | -65.6 | 162.4 | 0 | 0 | 0 | 110.5 | E97 L103 E104 D105 | E97-I101 WeakPolarHBondContact O-CD1 3.46Å; E97-I101 VanDerWaalsContact O-CG1 3.27Å; E97-I101 WeakPolarHBondContact O-CG1 3.23Å; E97-I101 PolarHBondContact O-N 2.91Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.36Å; I101-E104 PolarHBondContact O-N 2.91Å; I101-D105 PolarHBondContact O-N 2.96Å |
| 102 | V | 52.8 | Low | 55.7 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | G98 I99 I106 | G98-V102 VanDerWaalsContact O-CG2 3.27Å; G98-V102 WeakPolarHBondContact O-CG2 3.21Å; G98-V102 PolarHBondContact O-N 3.33Å; G98-V102 VanDerWaalsContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 2.86Å; V102-I106 HydrophobicContact CG1-CD1 3.82Å; V102-I106 WeakPolarHBondContact O-CB 3.46Å; V102-I106 WeakPolarHBondContact O-CD1 3.44Å; V102-I106 WeakPolarHBondContact O-CG1 3.33Å; V102-I106 PolarHBondContact O-N 3.33Å; V102-I106 VanDerWaalsContact O-N 3.12Å |
| 103 | L | 52.1 | Low | 56.2 | Low | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 176.9 | -127.7 | 84.7 | 0 | 0 | 0 | 112.4 | I99 K100 I101 I106 F107 | I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 2.87Å; K100-L103 PolarHBondContact O-N 2.98Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.36Å; L103-I106 PolarHBondContact O-N 3.25Å; L103-F107 WeakPolarHBondContact O-CB 3.38Å; L103-F107 PolarHBondContact O-N 3.45Å |
| 104 | E | 61.3 | Low | 56.5 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 177.4 | -76.7 | 176.7 | -176.6 | 0 | 0 | 110.5 | K100 I101 I106 F107 T108 | K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 WeakPolarHBondContact O-CG 3.3Å; K100-E104 PolarHBondContact O-N 3.32Å; I101-E104 PolarHBondContact O-N 2.91Å; E104-I106 PolarHBondContact O-N 2.94Å; E104-F107 PolarHBondContact O-N 3.49Å; E104-F107 VanDerWaalsContact O-N 3.17Å; E104-T108 VanDerWaalsContact O-CG2 3.25Å; E104-T108 WeakPolarHBondContact O-CG2 3.47Å; E104-T108 PolarHBondContact O-N 3.3Å; E104-T108 PolarHBondContact O-OG1 3.27Å |
| 105 | D | 60.8 | Low | 57 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.9 | -76 | -16.5 | 0 | 0 | 0 | 112.9 | I101 T108 L109 | I101-D105 PolarHBondContact O-N 2.96Å; D105-T108 WeakPolarHBondContact CA-OG1 3.47Å; D105-T108 PolarHBondContact O-OG1 2.96Å; D105-L109 VanDerWaalsContact O-CB 3.31Å; D105-L109 WeakPolarHBondContact O-CB 3.48Å; D105-L109 PolarHBondContact O-N 3.4Å |
| 106 | I | 61.2 | Low | 57.9 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 53% | 0.533 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.3 | -69.8 | 166.5 | 0 | 0 | 0 | 110.6 | V102 L103 E104 W110 | V102-I106 HydrophobicContact CG1-CD1 3.82Å; V102-I106 WeakPolarHBondContact O-CB 3.46Å; V102-I106 WeakPolarHBondContact O-CD1 3.44Å; V102-I106 WeakPolarHBondContact O-CG1 3.33Å; V102-I106 PolarHBondContact O-N 3.33Å; V102-I106 VanDerWaalsContact O-N 3.12Å; L103-I106 PolarHBondContact O-N 3.25Å; E104-I106 PolarHBondContact O-N 2.94Å; I106-W110 VanDerWaalsContact O-CB 3.28Å; I106-W110 WeakPolarHBondContact O-CB 3.32Å; I106-W110 PolarHBondContact O-N 2.94Å |
| 107 | F | 61.4 | Low | 58.5 | Low | 111 Ų | 111 | 92.3 Ų | 92.3 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | -179.4 | -164.8 | -98.5 | 0 | 0 | 0 | 112.3 | L103 E104 W110 R111 | L103-F107 WeakPolarHBondContact O-CB 3.38Å; L103-F107 PolarHBondContact O-N 3.45Å; E104-F107 PolarHBondContact O-N 3.49Å; E104-F107 VanDerWaalsContact O-N 3.17Å; F107-W110 HydrophobicContact CD2-CE3 4.39Å; F107-W110 HydrophobicContact CE2-CE3 4.16Å; F107-W110 HydrophobicContact CE2-CZ3 4.19Å; F107-W110 HydrophobicContact CZ-CZ3 4.46Å; F107-W110 PolarHBondContact O-N 2.95Å; F107-R111 HydrophobicContact CD1-CG 4.21Å; F107-R111 HydrophobicContact CE1-CG 4.01Å; F107-R111 WeakPolarHBondContact O-CB 3.35Å; F107-R111 WeakPolarHBondContact O-CG 3.31Å; F107-R111 PolarHBondContact O-N 3.17Å |
| 108 | T | 67.8 | Low | 58.8 | Low | 86 Ų | 86 | 92.3 Ų | 92.3 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | E104 D105 W110 R111 Q112 | E104-T108 VanDerWaalsContact O-CG2 3.25Å; E104-T108 WeakPolarHBondContact O-CG2 3.47Å; E104-T108 PolarHBondContact O-N 3.3Å; E104-T108 PolarHBondContact O-OG1 3.27Å; D105-T108 WeakPolarHBondContact CA-OG1 3.47Å; D105-T108 PolarHBondContact O-OG1 2.96Å; T108-W110 VanDerWaalsContact C-N 3.32Å; T108-W110 PolarHBondContact O-N 3.33Å; T108-R111 PolarHBondContact O-N 3.05Å; T108-Q112 PolarHBondContact O-N 3.4Å |
| 109 | L | 62.5 | Low | 59.6 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 45% | 0.45 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.3 | -171.9 | 66.3 | 0 | 0 | 0 | 111.3 | D105 Q112 V113 | D105-L109 VanDerWaalsContact O-CB 3.31Å; D105-L109 WeakPolarHBondContact O-CB 3.48Å; D105-L109 PolarHBondContact O-N 3.4Å; L109-Q112 PolarHBondContact O-N 3.26Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 3.43Å; L109-V113 VanDerWaalsContact O-N 3.08Å |
| 110 | W | 59.8 | Low | 60.3 | Low | 92 Ų | 92 | 94 Ų | 94 | 35% | 0.348 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.3 | -177.7 | 71.8 | 0 | 0 | 0 | 112.6 | Y52 I106 F107 T108 Q112 V113 E114 | Y52-W110 PolarHBondContact OH-NE1 3.27Å; I106-W110 VanDerWaalsContact O-CB 3.28Å; I106-W110 WeakPolarHBondContact O-CB 3.32Å; I106-W110 PolarHBondContact O-N 2.94Å; F107-W110 HydrophobicContact CD2-CE3 4.39Å; F107-W110 HydrophobicContact CE2-CE3 4.16Å; F107-W110 HydrophobicContact CE2-CZ3 4.19Å; F107-W110 HydrophobicContact CZ-CZ3 4.46Å; F107-W110 PolarHBondContact O-N 2.95Å; T108-W110 VanDerWaalsContact C-N 3.32Å; T108-W110 PolarHBondContact O-N 3.33Å; W110-Q112 VanDerWaalsContact C-N 3.28Å; W110-Q112 PolarHBondContact O-N 3.48Å; W110-V113 PolarHBondContact O-N 2.89Å; W110-E114 WeakPolarHBondContact O-CB 3.39Å; W110-E114 PolarHBondContact O-N 3.45Å |
| 111 | R | 59.3 | Low | 60.6 | Low | 115 Ų | 115 | 93 Ų | 93 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 174.8 | -83.5 | -72.9 | -169.3 | -145.2 | 6.8 | 112.4 | F107 T108 E114 T115 | F107-R111 HydrophobicContact CD1-CG 4.21Å; F107-R111 HydrophobicContact CE1-CG 4.01Å; F107-R111 WeakPolarHBondContact O-CB 3.35Å; F107-R111 WeakPolarHBondContact O-CG 3.31Å; F107-R111 PolarHBondContact O-N 3.17Å; T108-R111 PolarHBondContact O-N 3.05Å; R111-E114 IonicContact NH1-OE2 3.02Å; R111-E114 PolarHBondContact NH1-OE2 2.84Å; R111-T115 VanDerWaalsContact O-CG2 3.3Å; R111-T115 WeakPolarHBondContact O-CG2 3.31Å; R111-T115 PolarHBondContact O-N 2.99Å; R111-T115 PolarHBondContact O-OG1 3.32Å |
| 112 | Q | 59.2 | Low | 60.7 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 179.5 | -160.6 | -165.6 | 15.4 | 0 | 0 | 111.6 | T108 L109 W110 T115 K116 | T108-Q112 PolarHBondContact O-N 3.4Å; L109-Q112 PolarHBondContact O-N 3.26Å; W110-Q112 VanDerWaalsContact C-N 3.28Å; W110-Q112 PolarHBondContact O-N 3.48Å; Q112-T115 PolarHBondContact O-OG1 2.9Å; Q112-K116 WeakPolarHBondContact O-CG 3.46Å; Q112-K116 PolarHBondContact O-N 3.5Å |
| 113 | V | 60.6 | Low | 61.4 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L109 W110 T115 K116 V117 | L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 3.43Å; L109-V113 VanDerWaalsContact O-N 3.08Å; W110-V113 PolarHBondContact O-N 2.89Å; V113-T115 VanDerWaalsContact C-N 3.3Å; V113-T115 PolarHBondContact O-N 3.32Å; V113-K116 PolarHBondContact O-N 2.86Å; V113-V117 HydrophobicContact CG1-CG2 4.25Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 3.37Å |
| 114 | E | 55.6 | Low | 61.7 | Low | 51 Ų | 51 | 102.7 Ų | 102.7 | 24% | 0.238 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | -179.7 | -158.7 | -163.3 | 174.4 | 0 | 0 | 112.2 | W110 R111 R118 | W110-E114 WeakPolarHBondContact O-CB 3.39Å; W110-E114 PolarHBondContact O-N 3.45Å; R111-E114 IonicContact NH1-OE2 3.02Å; R111-E114 PolarHBondContact NH1-OE2 2.84Å; E114-R118 VanDerWaalsContact CD-NH1 3.3Å; E114-R118 VanDerWaalsContact O-CB 3.32Å; E114-R118 WeakPolarHBondContact O-CB 3.35Å; E114-R118 VanDerWaalsContact O-CG 3.31Å; E114-R118 WeakPolarHBondContact O-CG 3.39Å; E114-R118 PolarHBondContact O-N 3.49Å; E114-R118 PolarHBondContact O-NE 3.46Å; E114-R118 IonicContact OE1-CZ 3.22Å; E114-R118 VanDerWaalsContact OE1-CZ 3.22Å; E114-R118 IonicContact OE1-NH1 2.9Å; E114-R118 PolarHBondContact OE1-NH1 2.93Å; E114-R118 IonicContact OE1-NH2 3.31Å; E114-R118 PolarHBondContact OE1-NH2 3.03Å; E114-R118 IonicContact OE2-CZ 3.55Å; E114-R118 IonicContact OE2-NH1 3.48Å; E114-R118 IonicContact OE2-NH2 2.8Å; E114-R118 PolarHBondContact OE2-NH2 3.46Å |
| 115 | T | 61.8 | Low | 61.6 | Low | 75 Ų | 75 | 105.3 Ų | 105.3 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | R111 Q112 V113 R118 A119 | R111-T115 VanDerWaalsContact O-CG2 3.3Å; R111-T115 WeakPolarHBondContact O-CG2 3.31Å; R111-T115 PolarHBondContact O-N 2.99Å; R111-T115 PolarHBondContact O-OG1 3.32Å; Q112-T115 PolarHBondContact O-OG1 2.9Å; V113-T115 VanDerWaalsContact C-N 3.3Å; V113-T115 PolarHBondContact O-N 3.32Å; T115-R118 PolarHBondContact O-N 3.27Å; T115-A119 WeakPolarHBondContact O-CB 3.43Å; T115-A119 PolarHBondContact O-N 3.02Å |
| 116 | K | 69.6 | Low | 61.4 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -47.7 | 174.5 | -77.5 | -178.7 | 177.1 | 179.7 | 0 | 112.1 | Q112 V113 A119 K120 | Q112-K116 WeakPolarHBondContact O-CG 3.46Å; Q112-K116 PolarHBondContact O-N 3.5Å; V113-K116 PolarHBondContact O-N 2.86Å; K116-A119 PolarHBondContact O-N 2.99Å; K116-K120 WeakPolarHBondContact O-CB 3.43Å; K116-K120 PolarHBondContact O-N 3.38Å |
| 117 | V | 58.7 | Low | 60.8 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | V113 A119 K120 I121 | V113-V117 HydrophobicContact CG1-CG2 4.25Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 3.37Å; V117-A119 PolarHBondContact O-N 3Å; V117-K120 PolarHBondContact O-N 3.04Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.31Å |
| 118 | R | 53.5 | Low | 60.2 | Low | 95 Ų | 95 | 103 Ų | 103 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.4 | -80.2 | -171.7 | -70.5 | -135.2 | -6.5 | 113 | E114 T115 I121 R122 | E114-R118 VanDerWaalsContact CD-NH1 3.3Å; E114-R118 VanDerWaalsContact O-CB 3.32Å; E114-R118 WeakPolarHBondContact O-CB 3.35Å; E114-R118 VanDerWaalsContact O-CG 3.31Å; E114-R118 WeakPolarHBondContact O-CG 3.39Å; E114-R118 PolarHBondContact O-N 3.49Å; E114-R118 PolarHBondContact O-NE 3.46Å; E114-R118 IonicContact OE1-CZ 3.22Å; E114-R118 VanDerWaalsContact OE1-CZ 3.22Å; E114-R118 IonicContact OE1-NH1 2.9Å; E114-R118 PolarHBondContact OE1-NH1 2.93Å; E114-R118 IonicContact OE1-NH2 3.31Å; E114-R118 PolarHBondContact OE1-NH2 3.03Å; E114-R118 IonicContact OE2-CZ 3.55Å; E114-R118 IonicContact OE2-NH1 3.48Å; E114-R118 IonicContact OE2-NH2 2.8Å; E114-R118 PolarHBondContact OE2-NH2 3.46Å; T115-R118 PolarHBondContact O-N 3.27Å; R118-I121 PolarHBondContact O-N 2.96Å; R118-R122 WeakPolarHBondContact O-CB 3.21Å; R118-R122 WeakPolarHBondContact O-CG 3.5Å; R118-R122 PolarHBondContact O-N 3.48Å |
| 119 | A | 65.3 | Low | 59.2 | Low | 47 Ų | 47 | 107.4 Ų | 107.4 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T115 K116 V117 R122 K123 | T115-A119 WeakPolarHBondContact O-CB 3.43Å; T115-A119 PolarHBondContact O-N 3.02Å; K116-A119 PolarHBondContact O-N 2.99Å; V117-A119 PolarHBondContact O-N 3Å; A119-R122 PolarHBondContact O-N 3.34Å; A119-K123 WeakPolarHBondContact O-CG 3.28Å; A119-K123 PolarHBondContact O-N 2.87Å |
| 120 | K | 67.7 | Low | 58.7 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 176.5 | -147.5 | 169 | 179.4 | -178.5 | 0 | 111 | K116 V117 K123 M124 D174 | K116-K120 WeakPolarHBondContact O-CB 3.43Å; K116-K120 PolarHBondContact O-N 3.38Å; V117-K120 PolarHBondContact O-N 3.04Å; K120-K123 PolarHBondContact O-N 3.49Å; K120-M124 WeakPolarHBondContact O-CB 3.33Å; K120-M124 PolarHBondContact O-N 3.26Å; K120-D174 IonicContact NZ-OD1 2.73Å; K120-D174 PolarHBondContact NZ-OD1 3.27Å |
| 121 | I | 61.8 | Low | 58.1 | Low | 105 Ų | 105 | 109.7 Ų | 109.7 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.9 | -67.4 | 167.5 | 0 | 0 | 0 | 112 | V117 R118 M124 K125 | V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.31Å; R118-I121 PolarHBondContact O-N 2.96Å; I121-M124 PolarHBondContact O-N 3.31Å; I121-K125 WeakPolarHBondContact O-CB 3.27Å; I121-K125 PolarHBondContact O-N 3.39Å |
| 122 | R | 62 | Low | 57.6 | Low | 180 Ų | 180 | 114.7 Ų | 114.7 | 68% | 0.679 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -43.3 | 178.2 | -75.5 | 177.4 | -176.8 | -178.8 | 0.9 | 111.6 | R118 A119 K125 V126 | R118-R122 WeakPolarHBondContact O-CB 3.21Å; R118-R122 WeakPolarHBondContact O-CG 3.5Å; R118-R122 PolarHBondContact O-N 3.48Å; A119-R122 PolarHBondContact O-N 3.34Å; R122-K125 PolarHBondContact O-N 2.94Å; R122-V126 VanDerWaalsContact O-CG2 3.3Å; R122-V126 WeakPolarHBondContact O-CG2 3.17Å; R122-V126 PolarHBondContact O-N 3.43Å |
| 123 | K | 67.8 | Low | 57.3 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59 | -48.9 | 174.6 | -75.5 | -176.8 | 177.3 | -172.8 | 0 | 111.2 | A119 K120 K125 V126 T127 | A119-K123 WeakPolarHBondContact O-CG 3.28Å; A119-K123 PolarHBondContact O-N 2.87Å; K120-K123 PolarHBondContact O-N 3.49Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.06Å; K123-V126 PolarHBondContact O-N 3.48Å; K123-T127 WeakPolarHBondContact O-CG2 3.49Å; K123-T127 PolarHBondContact O-N 2.91Å; K123-T127 PolarHBondContact O-OG1 3.28Å |
| 124 | M | 57.3 | Low | 56.9 | Low | 134 Ų | 134 | 119.2 Ų | 119.2 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.2 | -40.2 | 176.8 | -164.6 | 108.9 | 92.9 | 0 | 0 | 112.5 | K120 I121 T127 T128 | K120-M124 WeakPolarHBondContact O-CB 3.33Å; K120-M124 PolarHBondContact O-N 3.26Å; I121-M124 PolarHBondContact O-N 3.31Å; M124-T127 PolarHBondContact O-OG1 2.95Å; M124-T128 WeakPolarHBondContact O-CB 3.25Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.95Å |
| 125 | K | 60.4 | Low | 56.7 | Low | 159 Ų | 159 | 125.3 Ų | 125.3 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -33.4 | 178.7 | -166.7 | 172.4 | -176.2 | 175.7 | 0 | 112.7 | I121 R122 K123 K129 | I121-K125 WeakPolarHBondContact O-CB 3.27Å; I121-K125 PolarHBondContact O-N 3.39Å; R122-K125 PolarHBondContact O-N 2.94Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 3.06Å; K125-K129 WeakPolarHBondContact O-CB 3.35Å; K125-K129 PolarHBondContact O-N 3.47Å |
| 126 | V | 55.6 | Low | 56.2 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 56% | 0.558 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.5 | -46.3 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | R122 K123 T128 K129 V130 | R122-V126 VanDerWaalsContact O-CG2 3.3Å; R122-V126 WeakPolarHBondContact O-CG2 3.17Å; R122-V126 PolarHBondContact O-N 3.43Å; K123-V126 PolarHBondContact O-N 3.48Å; V126-T128 VanDerWaalsContact C-N 3.31Å; V126-T128 PolarHBondContact O-N 3.05Å; V126-K129 PolarHBondContact O-N 3.42Å; V126-K129 VanDerWaalsContact O-N 3.09Å; V126-V130 WeakPolarHBondContact O-CG2 3.44Å; V126-V130 PolarHBondContact O-N 2.97Å |
| 127 | T | 48.8 | Very low | 55 | Low | 91 Ų | 91 | 130.3 Ų | 130.3 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.1 | -36.8 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 112 | K123 M124 K129 V130 N131 | K123-T127 WeakPolarHBondContact O-CG2 3.49Å; K123-T127 PolarHBondContact O-N 2.91Å; K123-T127 PolarHBondContact O-OG1 3.28Å; M124-T127 PolarHBondContact O-OG1 2.95Å; T127-K129 VanDerWaalsContact C-N 3.29Å; T127-K129 PolarHBondContact O-N 3.08Å; T127-V130 PolarHBondContact O-N 3.28Å; T127-N131 PolarHBondContact O-N 2.97Å |
| 128 | T | 48.3 | Very low | 55 | Low | 84 Ų | 84 | 129.2 Ų | 129.2 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.4 | -30 | 174.3 | -55 | 0 | 0 | 0 | 0 | 112.7 | M124 V126 | M124-T128 WeakPolarHBondContact O-CB 3.25Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.95Å; V126-T128 VanDerWaalsContact C-N 3.31Å; V126-T128 PolarHBondContact O-N 3.05Å |
| 129 | K | 46.8 | Very low | 54.7 | Low | 179 Ų | 179 | 133.8 Ų | 133.8 | 78% | 0.778 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -84 | -29.3 | -179.1 | -150.8 | -178.5 | -175.9 | -171.7 | 0 | 112.8 | K125 V126 T127 N131 | K125-K129 WeakPolarHBondContact O-CB 3.35Å; K125-K129 PolarHBondContact O-N 3.47Å; V126-K129 PolarHBondContact O-N 3.42Å; V126-K129 VanDerWaalsContact O-N 3.09Å; T127-K129 VanDerWaalsContact C-N 3.29Å; T127-K129 PolarHBondContact O-N 3.08Å; K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.27Å |
| 130 | V | 52 | Low | 54.2 | Low | 115 Ų | 115 | 142.7 Ų | 142.7 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.2 | -29.5 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V126 T127 R132 | V126-V130 WeakPolarHBondContact O-CG2 3.44Å; V126-V130 PolarHBondContact O-N 2.97Å; T127-V130 PolarHBondContact O-N 3.28Å; V130-R132 VanDerWaalsContact C-N 3.3Å; V130-R132 PolarHBondContact O-N 3.35Å |
| 131 | N | 47.7 | Very low | 53.2 | Low | 111 Ų | 111 | 144 Ų | 144 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 22.3 | -174.2 | -148.4 | -5.3 | 0 | 0 | 0 | 115.3 | T127 K129 | T127-N131 PolarHBondContact O-N 2.97Å; K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.27Å |
| 132 | R | 49.6 | Very low | 53.4 | Low | 220 Ų | 220 | 143.5 Ų | 143.5 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 16 | -176.4 | -92 | -168.9 | -174.1 | 168.7 | 2.9 | 115.4 | V130 | V130-R132 VanDerWaalsContact C-N 3.3Å; V130-R132 PolarHBondContact O-N 3.35Å |
| 133 | H | 51.6 | Low | 53.3 | Low | 131 Ų | 131 | 139 Ų | 139 | 61% | 0.606 | 69% | 0.693 | S | S | * | * | trans | -125.3 | 49.9 | -170.6 | -149.8 | -68.3 | 0 | 0 | 0 | 115.3 | K135 | H133-K135 PolarHBondContact O-N 3.34Š| ||
| 134 | D | 53.6 | Low | 53.3 | Low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | trans | -95.4 | 87.3 | 164.2 | -65.4 | -29.9 | 0 | 0 | 0 | 110.1 | I136 | D134-I136 PolarHBondContact O-N 3.01Š| ||
| 135 | K | 51.4 | Low | 53.7 | Low | 178 Ų | 178 | 135.9 Ų | 135.9 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | trans | -68.5 | 108 | 165.8 | -89.8 | 179.8 | 177.7 | 174 | 0 | 108.5 | H133 N137 | H133-K135 PolarHBondContact O-N 3.34Å; K135-N137 PolarHBondContact O-N 2.87Å | ||
| 136 | I | 51.7 | Low | 53.9 | Low | 170 Ų | 170 | 131.8 Ų | 131.8 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | trans | -69.5 | 91.5 | 171.4 | -60.3 | 170.2 | 0 | 0 | 0 | 108.3 | D134 | D134-I136 PolarHBondContact O-N 3.01Š| ||
| 137 | N | 44.3 | Very low | 54.6 | Low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | trans | -80.8 | 115.8 | 164.8 | 172.9 | 1.4 | 0 | 0 | 0 | 108.4 | K135 | K135-N137 PolarHBondContact O-N 2.87Š| ||
| 138 | G | 58.4 | Low | 55.6 | Low | 54 Ų | 54 | 137.5 Ų | 137.5 | 56% | 0.557 | 67% | 0.671 | S | S | * | * | trans | -79.4 | 132.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 139 | K | 46.3 | Very low | 56.9 | Low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -163.1 | 132 | 142.6 | -107.8 | 162 | -172.2 | -176.4 | 0 | 111.8 | ||||
| 140 | R | 55.1 | Low | 58.2 | Low | 234 Ų | 234 | 135.4 Ų | 135.4 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | trans | 31.9 | 116.5 | 165.6 | -73.6 | -179.8 | 178.2 | 162.5 | -1 | 119.7 | ||||
| 141 | K | 47.2 | Very low | 59 | Low | 159 Ų | 159 | 132.8 Ų | 132.8 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | -87.3 | 126 | -177 | -66 | 166.3 | 157.1 | -163.8 | 0 | 111.6 | H146 | K141-H146 WeakPolarHBondContact CD-NE2 3.46Å; K141-H146 WeakPolarHBondContact CE-CE1 3.5Å; K141-H146 WeakPolarHBondContact CE-NE2 3.34Å; K141-H146 WeakPolarHBondContact CG-NE2 3.33Å; K141-H146 PolarHBondContact NZ-CE1 3.41Å; K141-H146 PolarHBondContact NZ-NE2 3.29Å | ||
| 142 | T | 64.8 | Low | 60.2 | Low | 94 Ų | 94 | 133.7 Ų | 133.7 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | trans | -107.2 | 149.7 | 153.6 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | K144 E145 H146 | T142-K144 PolarHBondContact O-N 3.02Å; T142-K144 VanDerWaalsContact O-N 3.11Å; T142-E145 WeakPolarHBondContact O-CB 3.39Å; T142-E145 PolarHBondContact O-N 2.9Å; T142-H146 PolarHBondContact O-N 3.2Å | ||
| 143 | A | 61.6 | Low | 61.4 | Low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.6 | -29.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E145 H146 L147 | A143-E145 VanDerWaalsContact C-N 3.34Å; A143-E145 PolarHBondContact O-N 3.46Å; A143-H146 PolarHBondContact O-N 2.98Å; A143-L147 PolarHBondContact O-N 3.2Å |
| 144 | K | 66.4 | Low | 62.4 | Low | 161 Ų | 161 | 130.9 Ų | 130.9 | 70% | 0.7 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.8 | -29.8 | 176.5 | -164.4 | 172.2 | -175.4 | 174.1 | 0 | 113.3 | T142 R148 | T142-K144 PolarHBondContact O-N 3.02Å; T142-K144 VanDerWaalsContact O-N 3.11Å; K144-R148 PolarHBondContact O-N 3Å |
| 145 | E | 65.7 | Low | 63.1 | Low | 65 Ų | 65 | 134.1 Ų | 134.1 | 30% | 0.304 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.3 | -32.6 | 177.6 | -161.9 | -171.8 | 147.6 | 0 | 0 | 111.8 | T142 A143 R148 K149 | T142-E145 WeakPolarHBondContact O-CB 3.39Å; T142-E145 PolarHBondContact O-N 2.9Å; A143-E145 VanDerWaalsContact C-N 3.34Å; A143-E145 PolarHBondContact O-N 3.46Å; E145-R148 PolarHBondContact O-N 2.93Å; E145-K149 HydrophobicContact CG-CD 4.43Å; E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 WeakPolarHBondContact OE1-CE 3.43Å; E145-K149 IonicContact OE1-NZ 3.64Å; E145-K149 PolarHBondContact OE1-NZ 3.38Å |
| 146 | H | 64.9 | Low | 64.2 | Low | 73 Ų | 73 | 129.5 Ų | 129.5 | 34% | 0.338 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.1 | -42.3 | 173.1 | -94.1 | -78.2 | 0 | 0 | 0 | 112.7 | K141 T142 A143 K149 L150 | K141-H146 WeakPolarHBondContact CD-NE2 3.46Å; K141-H146 WeakPolarHBondContact CE-CE1 3.5Å; K141-H146 WeakPolarHBondContact CE-NE2 3.34Å; K141-H146 WeakPolarHBondContact CG-NE2 3.33Å; K141-H146 PolarHBondContact NZ-CE1 3.41Å; K141-H146 PolarHBondContact NZ-NE2 3.29Å; T142-H146 PolarHBondContact O-N 3.2Å; A143-H146 PolarHBondContact O-N 2.98Å; H146-K149 PolarHBondContact O-N 3.45Å; H146-L150 PolarHBondContact O-N 3.31Å |
| 147 | L | 69.3 | Low | 64.6 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 176.8 | -132.5 | 82.8 | 0 | 0 | 0 | 111.5 | A143 L150 S151 | A143-L147 PolarHBondContact O-N 3.2Å; L147-L150 PolarHBondContact O-N 2.85Å; L147-S151 PolarHBondContact O-N 3.24Å |
| 148 | R | 71.1 | Confident | 65.9 | Low | 172 Ų | 172 | 121 Ų | 121 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 175.3 | -77.9 | -173.3 | 173.1 | -165.7 | -2.8 | 112.2 | K144 E145 S151 M152 | K144-R148 PolarHBondContact O-N 3Å; E145-R148 PolarHBondContact O-N 2.93Å; R148-S151 PolarHBondContact O-N 3.04Å; R148-S151 PolarHBondContact O-OG 2.9Å; R148-M152 WeakPolarHBondContact O-CB 3.48Å; R148-M152 WeakPolarHBondContact O-CG 3.41Å; R148-M152 PolarHBondContact O-N 3.24Å |
| 149 | K | 75.9 | Confident | 66.4 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -40.4 | 175.6 | -81.2 | 172.5 | 169.8 | 163.2 | 0 | 112.2 | E145 H146 K153 | E145-K149 HydrophobicContact CG-CD 4.43Å; E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 WeakPolarHBondContact OE1-CE 3.43Å; E145-K149 IonicContact OE1-NZ 3.64Å; E145-K149 PolarHBondContact OE1-NZ 3.38Å; H146-K149 PolarHBondContact O-N 3.45Å; K149-K153 WeakPolarHBondContact O-CB 3.37Å; K149-K153 PolarHBondContact O-N 3.44Å |
| 150 | L | 72.6 | Confident | 67.6 | Low | 104 Ų | 104 | 119.7 Ų | 119.7 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -48.9 | 174.1 | -99.1 | 150.9 | 0 | 0 | 0 | 111.6 | H146 L147 M152 K153 E154 | H146-L150 PolarHBondContact O-N 3.31Å; L147-L150 PolarHBondContact O-N 2.85Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.32Å; L150-K153 WeakPolarHBondContact O-CB 3.44Å; L150-K153 PolarHBondContact O-N 3.41Å; L150-K153 VanDerWaalsContact O-N 3.11Å; L150-E154 PolarHBondContact O-N 2.82Å |
| 151 | S | 68.9 | Low | 68.1 | Low | 61 Ų | 61 | 114 Ų | 114 | 43% | 0.427 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | -179.9 | 75.8 | 0 | 0 | 0 | 0 | 113.8 | L147 R148 K153 R155 | L147-S151 PolarHBondContact O-N 3.24Å; R148-S151 PolarHBondContact O-N 3.04Å; R148-S151 PolarHBondContact O-OG 2.9Å; S151-K153 VanDerWaalsContact C-N 3.34Å; S151-R155 PolarHBondContact O-N 3.46Å; S151-R155 VanDerWaalsContact O-N 3.1Å |
| 152 | M | 73.5 | Confident | 69.3 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67 | -37.8 | 174.3 | -77.9 | -94 | -76.5 | 0 | 0 | 111 | R148 L150 R155 E156 | R148-M152 WeakPolarHBondContact O-CB 3.48Å; R148-M152 WeakPolarHBondContact O-CG 3.41Å; R148-M152 PolarHBondContact O-N 3.24Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.32Å; M152-R155 PolarHBondContact O-N 2.88Å; M152-E156 PolarHBondContact O-N 2.73Å |
| 153 | K | 75.6 | Confident | 69.3 | Low | 155 Ų | 155 | 117.1 Ų | 117.1 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.8 | -36.9 | 179.2 | -138.8 | 173 | -173.6 | -175.9 | 0 | 112.4 | K149 L150 S151 H157 | K149-K153 WeakPolarHBondContact O-CB 3.37Å; K149-K153 PolarHBondContact O-N 3.44Å; L150-K153 WeakPolarHBondContact O-CB 3.44Å; L150-K153 PolarHBondContact O-N 3.41Å; L150-K153 VanDerWaalsContact O-N 3.11Å; S151-K153 VanDerWaalsContact C-N 3.34Å; K153-H157 WeakPolarHBondContact O-CB 3.38Å; K153-H157 PolarHBondContact O-N 2.82Å |
| 154 | E | 71.4 | Confident | 69.3 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 173 | -75.6 | 179.6 | 156.5 | 0 | 0 | 111.7 | L150 H157 G158 | L150-E154 PolarHBondContact O-N 2.82Å; E154-H157 PolarHBondContact O-N 3.26Å; E154-G158 PolarHBondContact O-N 3.31Å |
| 155 | R | 69.3 | Low | 69.2 | Low | 202 Ų | 202 | 113.5 Ų | 113.5 | 76% | 0.762 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 173.7 | -91.1 | -173.4 | 132.7 | 88.5 | -1.2 | 112.7 | S151 M152 H157 G158 E159 | S151-R155 PolarHBondContact O-N 3.46Å; S151-R155 VanDerWaalsContact O-N 3.1Å; M152-R155 PolarHBondContact O-N 2.88Å; R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.02Å; R155-G158 PolarHBondContact O-N 3.47Å; R155-E159 PolarHBondContact O-N 3.44Å |
| 156 | E | 74.9 | Confident | 69.2 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 175.6 | -91.7 | -169.4 | -172.3 | 0 | 0 | 112.6 | M152 E159 K160 | M152-E156 PolarHBondContact O-N 2.73Å; E156-E159 PolarHBondContact O-N 3.42Å; E156-K160 WeakPolarHBondContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.47Å; E156-K160 WeakPolarHBondContact O-CG 3.1Å; E156-K160 PolarHBondContact O-N 3.01Å; E156-K160 IonicContact OE2-NZ 3.64Å; E156-K160 PolarHBondContact OE2-NZ 2.8Å |
| 157 | H | 58.7 | Low | 69.1 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -45.3 | 177.3 | -171 | -84 | 0 | 0 | 0 | 110.8 | K153 E154 R155 E159 K160 E161 | K153-H157 WeakPolarHBondContact O-CB 3.38Å; K153-H157 PolarHBondContact O-N 2.82Å; E154-H157 PolarHBondContact O-N 3.26Å; R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.02Å; H157-E159 PolarHBondContact O-N 3.12Å; H157-K160 PolarHBondContact O-N 3.25Å; H157-E161 IonicContact CE1-OE1 2.78Å; H157-E161 PolarHBondContact CE1-OE1 2.93Å; H157-E161 IonicContact CE1-OE2 3.49Å; H157-E161 IonicContact ND1-OE2 2.69Å; H157-E161 PolarHBondContact O-N 3.17Å |
| 158 | G | 72.7 | Confident | 68.9 | Low | 28 Ų | 28 | 116.1 Ų | 116.1 | 29% | 0.289 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E154 R155 R162 | E154-G158 PolarHBondContact O-N 3.31Å; R155-G158 PolarHBondContact O-N 3.47Å; G158-R162 WeakPolarHBondContact O-CG 3.47Å; G158-R162 PolarHBondContact O-N 3.13Å; G158-R162 VanDerWaalsContact O-N 3.09Å |
| 159 | E | 69.3 | Low | 68.4 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.4 | -38.6 | 173.7 | -83.3 | -177.1 | 166.4 | 0 | 0 | 112.7 | R155 E156 H157 R162 Q163 | R155-E159 PolarHBondContact O-N 3.44Å; E156-E159 PolarHBondContact O-N 3.42Å; H157-E159 PolarHBondContact O-N 3.12Å; E159-R162 PolarHBondContact O-N 2.94Å; E159-Q163 WeakPolarHBondContact O-CG 3.3Å; E159-Q163 PolarHBondContact O-N 3.25Å |
| 160 | K | 70.9 | Confident | 67.6 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 175.8 | -74.3 | 164.3 | -175.6 | 161.1 | 0 | 111.1 | E156 H157 Q163 V164 | E156-K160 WeakPolarHBondContact O-CB 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.47Å; E156-K160 WeakPolarHBondContact O-CG 3.1Å; E156-K160 PolarHBondContact O-N 3.01Å; E156-K160 IonicContact OE2-NZ 3.64Å; E156-K160 PolarHBondContact OE2-NZ 2.8Å; H157-K160 PolarHBondContact O-N 3.25Å; K160-Q163 PolarHBondContact O-N 2.94Å; K160-V164 VanDerWaalsContact O-CG2 3.25Å; K160-V164 WeakPolarHBondContact O-CG2 3.41Å; K160-V164 PolarHBondContact O-N 2.87Å |
| 161 | E | 65.8 | Low | 67.4 | Low | 116 Ų | 116 | 110.2 Ų | 110.2 | 54% | 0.542 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 175.3 | -76.5 | -165.2 | 146.8 | 0 | 0 | 112.9 | H157 V164 S165 | H157-E161 IonicContact CE1-OE1 2.78Å; H157-E161 PolarHBondContact CE1-OE1 2.93Å; H157-E161 IonicContact CE1-OE2 3.49Å; H157-E161 IonicContact ND1-OE2 2.69Å; H157-E161 PolarHBondContact O-N 3.17Å; E161-V164 PolarHBondContact O-N 3.24Å; E161-S165 WeakPolarHBondContact O-CB 3.27Å; E161-S165 PolarHBondContact O-N 3.5Å; E161-S165 PolarHBondContact O-OG 3.34Å |
| 162 | R | 72.3 | Confident | 67 | Low | 195 Ų | 195 | 114.5 Ų | 114.5 | 74% | 0.736 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -44.7 | 173.8 | -76.9 | 178.8 | -178.4 | 178.8 | -0.1 | 112.1 | G158 E159 V164 S165 E166 | G158-R162 WeakPolarHBondContact O-CG 3.47Å; G158-R162 PolarHBondContact O-N 3.13Å; G158-R162 VanDerWaalsContact O-N 3.09Å; E159-R162 PolarHBondContact O-N 2.94Å; R162-V164 PolarHBondContact O-N 3.34Å; R162-S165 PolarHBondContact O-N 2.57Å; R162-E166 WeakPolarHBondContact O-CB 3.4Å; R162-E166 PolarHBondContact O-N 3.01Å |
| 163 | Q | 65 | Low | 66.3 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -36.2 | 177.8 | -72.8 | -178.2 | 31.9 | 0 | 0 | 112.9 | E159 K160 A167 | E159-Q163 WeakPolarHBondContact O-CG 3.3Å; E159-Q163 PolarHBondContact O-N 3.25Å; K160-Q163 PolarHBondContact O-N 2.94Å; Q163-A167 VanDerWaalsContact O-CB 3.3Å; Q163-A167 WeakPolarHBondContact O-CB 3.08Å; Q163-A167 PolarHBondContact O-N 3.4Å |
| 164 | V | 60.8 | Low | 65.7 | Low | 96 Ų | 96 | 109 Ų | 109 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | K160 E161 R162 A167 E168 | K160-V164 VanDerWaalsContact O-CG2 3.25Å; K160-V164 WeakPolarHBondContact O-CG2 3.41Å; K160-V164 PolarHBondContact O-N 2.87Å; E161-V164 PolarHBondContact O-N 3.24Å; R162-V164 PolarHBondContact O-N 3.34Å; V164-A167 PolarHBondContact O-N 2.89Å; V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 3.15Å |
| 165 | S | 64.7 | Low | 65.2 | Low | 73 Ų | 73 | 108 Ų | 108 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.7 | -55.5 | 0 | 0 | 0 | 0 | 112 | E161 R162 E168 E169 | E161-S165 WeakPolarHBondContact O-CB 3.27Å; E161-S165 PolarHBondContact O-N 3.5Å; E161-S165 PolarHBondContact O-OG 3.34Å; R162-S165 PolarHBondContact O-N 2.57Å; S165-E168 PolarHBondContact O-N 3.13Å; S165-E169 PolarHBondContact O-N 3.16Å |
| 166 | E | 66.6 | Low | 65.3 | Low | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.3 | -36.9 | 176.8 | -163 | 177.4 | -172.5 | 0 | 0 | 111.6 | R162 N170 | R162-E166 WeakPolarHBondContact O-CB 3.4Å; R162-E166 PolarHBondContact O-N 3.01Å; E166-N170 VanDerWaalsContact O-CB 3.29Å; E166-N170 WeakPolarHBondContact O-CB 3.47Å; E166-N170 VanDerWaalsContact O-CG 3.23Å; E166-N170 PolarHBondContact O-N 3.26Å; E166-N170 PolarHBondContact O-ND2 3.28Å |
| 167 | A | 62.7 | Low | 64.9 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q163 V164 G171 | Q163-A167 VanDerWaalsContact O-CB 3.3Å; Q163-A167 WeakPolarHBondContact O-CB 3.08Å; Q163-A167 PolarHBondContact O-N 3.4Å; V164-A167 PolarHBondContact O-N 2.89Å; A167-G171 PolarHBondContact O-N 3.4Å |
| 168 | E | 64.6 | Low | 65.3 | Low | 139 Ų | 139 | 106.9 Ų | 106.9 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -44.8 | 176.2 | -172.3 | 179.2 | 168.7 | 0 | 0 | 111.6 | V164 S165 G171 K172 | V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 3.15Å; S165-E168 PolarHBondContact O-N 3.13Å; E168-G171 PolarHBondContact O-N 2.84Å; E168-K172 PolarHBondContact O-N 3.35Å |
| 169 | E | 60.3 | Low | 65 | Low | 134 Ų | 134 | 111.5 Ų | 111.5 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -43.9 | 176.7 | -156.9 | -151.3 | 174.2 | 0 | 0 | 111.4 | S165 G171 K172 L173 | S165-E169 PolarHBondContact O-N 3.16Å; E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 3.34Å; E169-K172 WeakPolarHBondContact O-CB 3.14Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-K172 VanDerWaalsContact O-N 3.11Å; E169-L173 PolarHBondContact O-N 3.46Å |
| 170 | N | 59.9 | Low | 65.4 | Low | 92 Ų | 92 | 109.7 Ų | 109.7 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62 | -38.3 | 175.5 | -78 | -48.4 | 0 | 0 | 0 | 112.3 | E166 K172 L173 D174 | E166-N170 VanDerWaalsContact O-CB 3.29Å; E166-N170 WeakPolarHBondContact O-CB 3.47Å; E166-N170 VanDerWaalsContact O-CG 3.23Å; E166-N170 PolarHBondContact O-N 3.26Å; E166-N170 PolarHBondContact O-ND2 3.28Å; N170-K172 VanDerWaalsContact C-N 3.32Å; N170-K172 PolarHBondContact O-N 2.82Å; N170-L173 PolarHBondContact O-N 3.16Å; N170-D174 WeakPolarHBondContact O-CB 3.28Å; N170-D174 PolarHBondContact O-N 3.44Å |
| 171 | G | 66.4 | Low | 65.1 | Low | 41 Ų | 41 | 112 Ų | 112 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -34.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A167 E168 E169 M175 | A167-G171 PolarHBondContact O-N 3.4Å; E168-G171 PolarHBondContact O-N 2.84Å; E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 3.34Å; G171-M175 WeakPolarHBondContact O-CB 3.34Å; G171-M175 PolarHBondContact O-N 2.87Å |
| 172 | K | 61.7 | Low | 65.2 | Low | 151 Ų | 151 | 110.1 Ų | 110.1 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.5 | -36.1 | 176.9 | -152.7 | 174.2 | -172.5 | 174.8 | 0 | 112.1 | E168 E169 N170 K176 | E168-K172 PolarHBondContact O-N 3.35Å; E169-K172 WeakPolarHBondContact O-CB 3.14Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-K172 VanDerWaalsContact O-N 3.11Å; N170-K172 VanDerWaalsContact C-N 3.32Å; N170-K172 PolarHBondContact O-N 2.82Å; K172-K176 PolarHBondContact O-N 2.88Å |
| 173 | L | 58.9 | Low | 65.2 | Low | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.4 | -44.4 | 175.6 | -160.3 | 153.5 | 0 | 0 | 0 | 111.3 | E169 N170 M175 K176 E177 | E169-L173 PolarHBondContact O-N 3.46Å; N170-L173 PolarHBondContact O-N 3.16Å; L173-M175 VanDerWaalsContact C-N 3.27Å; L173-M175 PolarHBondContact O-N 3.02Å; L173-K176 PolarHBondContact O-N 2.94Å; L173-E177 PolarHBondContact O-N 3.38Å |
| 174 | D | 61.8 | Low | 65.5 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 32% | 0.321 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 175.5 | -146 | 72.5 | 0 | 0 | 0 | 110.8 | K120 N170 E177 I178 | K120-D174 IonicContact NZ-OD1 2.73Å; K120-D174 PolarHBondContact NZ-OD1 3.27Å; N170-D174 WeakPolarHBondContact O-CB 3.28Å; N170-D174 PolarHBondContact O-N 3.44Å; D174-E177 PolarHBondContact O-N 3.09Å; D174-I178 WeakPolarHBondContact O-CD1 3.33Å; D174-I178 VanDerWaalsContact O-CG1 3.22Å; D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 2.97Å |
| 175 | M | 62 | Low | 66.1 | Low | 117 Ų | 117 | 105 Ų | 105 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -37 | 177.6 | -162.6 | 63.7 | 164.6 | 0 | 0 | 113.3 | G171 L173 I178 H179 | G171-M175 WeakPolarHBondContact O-CB 3.34Å; G171-M175 PolarHBondContact O-N 2.87Å; L173-M175 VanDerWaalsContact C-N 3.27Å; L173-M175 PolarHBondContact O-N 3.02Å; M175-I178 PolarHBondContact O-N 2.97Å; M175-H179 WeakPolarHBondContact O-CB 3.38Å; M175-H179 PolarHBondContact O-N 2.89Å |
| 176 | K | 70.6 | Confident | 66.3 | Low | 154 Ų | 154 | 107.2 Ų | 107.2 | 67% | 0.67 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -39.1 | 173.5 | -84.8 | -177.9 | 175.2 | 179.9 | 0 | 111.8 | K172 L173 H179 T180 | K172-K176 PolarHBondContact O-N 2.88Å; L173-K176 PolarHBondContact O-N 2.94Å; K176-H179 PolarHBondContact O-N 3.29Å; K176-T180 PolarHBondContact O-N 2.8Å; K176-T180 PolarHBondContact O-OG1 3.21Å |
| 177 | E | 67.8 | Low | 66.5 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 176.3 | -166.6 | 175.1 | 175.3 | 0 | 0 | 111 | L173 D174 H179 T180 Y181 | L173-E177 PolarHBondContact O-N 3.38Å; D174-E177 PolarHBondContact O-N 3.09Å; E177-H179 PolarHBondContact O-N 3.42Å; E177-T180 PolarHBondContact O-N 2.99Å; E177-Y181 PolarHBondContact O-N 3.36Å |
| 178 | I | 66.7 | Low | 66.8 | Low | 89 Ų | 89 | 108 Ų | 108 | 46% | 0.456 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175 | -68.8 | 165 | 0 | 0 | 0 | 111.7 | D174 M175 Y181 M182 | D174-I178 WeakPolarHBondContact O-CD1 3.33Å; D174-I178 VanDerWaalsContact O-CG1 3.22Å; D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 2.97Å; M175-I178 PolarHBondContact O-N 2.97Å; I178-Y181 PolarHBondContact O-N 3.24Å; I178-M182 PolarHBondContact O-N 3.01Å |
| 179 | H | 66.6 | Low | 66.9 | Low | 126 Ų | 126 | 105.4 Ų | 105.4 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 176.1 | -178.6 | -87 | 0 | 0 | 0 | 111.5 | M175 K176 E177 Y181 M182 E183 | M175-H179 WeakPolarHBondContact O-CB 3.38Å; M175-H179 PolarHBondContact O-N 2.89Å; K176-H179 PolarHBondContact O-N 3.29Å; E177-H179 PolarHBondContact O-N 3.42Å; H179-Y181 VanDerWaalsContact C-N 3.34Å; H179-Y181 PolarHBondContact O-N 3.49Å; H179-M182 PolarHBondContact O-N 3.29Å; H179-E183 PolarHBondContact O-N 3.3Å |
| 180 | T | 78.1 | Confident | 67.5 | Low | 81 Ų | 81 | 101.2 Ų | 101.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | K176 E177 E183 M184 | K176-T180 PolarHBondContact O-N 2.8Å; K176-T180 PolarHBondContact O-OG1 3.21Å; E177-T180 PolarHBondContact O-N 2.99Å; T180-E183 PolarHBondContact O-N 2.75Å; T180-M184 WeakPolarHBondContact O-CG 3.31Å; T180-M184 PolarHBondContact O-N 2.96Å; T180-M184 VanDerWaalsContact O-N 3.09Å |
| 181 | Y | 63.7 | Low | 68.2 | Low | 144 Ų | 144 | 102.2 Ų | 102.2 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 176 | -171.3 | -93.8 | 0 | 0 | 0 | 112.3 | E177 I178 H179 E183 M184 F185 | E177-Y181 PolarHBondContact O-N 3.36Å; I178-Y181 PolarHBondContact O-N 3.24Å; H179-Y181 VanDerWaalsContact C-N 3.34Å; H179-Y181 PolarHBondContact O-N 3.49Å; Y181-E183 VanDerWaalsContact C-N 3.34Å; Y181-E183 PolarHBondContact O-N 2.89Å; Y181-M184 PolarHBondContact O-N 2.85Å; Y181-F185 WeakPolarHBondContact O-CB 3.35Å; Y181-F185 PolarHBondContact O-N 2.92Å |
| 182 | M | 67.8 | Low | 68.5 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 38% | 0.384 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.6 | -98 | -51 | -34.8 | 0 | 0 | 112.4 | I178 H179 F185 Q186 | I178-M182 PolarHBondContact O-N 3.01Å; H179-M182 PolarHBondContact O-N 3.29Å; M182-F185 HydrophobicContact CE-CB 4.38Å; M182-F185 HydrophobicContact CE-CD1 3.87Å; M182-F185 PolarHBondContact O-N 3.01Å; M182-F185 HydrophobicContact SD-CD1 4.27Å; M182-Q186 HydrophobicContact CE-CG 3.72Å; M182-Q186 WeakPolarHBondContact O-CG 3.47Å; M182-Q186 PolarHBondContact O-N 3.36Å |
| 183 | E | 73.4 | Confident | 68.9 | Low | 78 Ų | 78 | 107.6 Ų | 107.6 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.3 | -151 | -169.8 | 153.2 | 0 | 0 | 111.6 | H179 T180 Y181 F185 Q186 R187 | H179-E183 PolarHBondContact O-N 3.3Å; T180-E183 PolarHBondContact O-N 2.75Å; Y181-E183 VanDerWaalsContact C-N 3.34Å; Y181-E183 PolarHBondContact O-N 2.89Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3.36Å; E183-Q186 PolarHBondContact O-N 2.76Å; E183-R187 WeakPolarHBondContact O-CG 3.29Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 IonicContact OE1-CZ 3.98Å; E183-R187 IonicContact OE1-NE 2.67Å; E183-R187 IonicContact OE1-NH2 3.97Å; E183-R187 PolarHBondContact OE1-NH2 3.41Å |
| 184 | M | 71.2 | Confident | 69.7 | Low | 128 Ų | 128 | 111 Ų | 111 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 172.8 | -70.3 | -87.3 | -82.6 | 0 | 0 | 111.6 | T180 Y181 R187 A188 | T180-M184 WeakPolarHBondContact O-CG 3.31Å; T180-M184 PolarHBondContact O-N 2.96Å; T180-M184 VanDerWaalsContact O-N 3.09Å; Y181-M184 PolarHBondContact O-N 2.85Å; M184-R187 PolarHBondContact O-N 2.87Å; M184-A188 WeakPolarHBondContact O-CB 3.41Å; M184-A188 PolarHBondContact O-N 3.44Å |
| 185 | F | 71.9 | Confident | 70 | Confident | 101 Ų | 101 | 111 Ų | 111 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 178 | -176 | -111.1 | 0 | 0 | 0 | 112.5 | Y181 M182 E183 A188 Q189 | Y181-F185 WeakPolarHBondContact O-CB 3.35Å; Y181-F185 PolarHBondContact O-N 2.92Å; M182-F185 HydrophobicContact CE-CB 4.38Å; M182-F185 HydrophobicContact CE-CD1 3.87Å; M182-F185 PolarHBondContact O-N 3.01Å; M182-F185 HydrophobicContact SD-CD1 4.27Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3.36Å; F185-A188 PolarHBondContact O-N 3.46Å; F185-Q189 HydrophobicContact CE1-CG 4.42Å; F185-Q189 HydrophobicContact CZ-CG 4.47Å; F185-Q189 WeakPolarHBondContact O-CG 3.33Å; F185-Q189 PolarHBondContact O-N 2.87Å |
| 186 | Q | 69.1 | Low | 70.3 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 174.9 | -75 | 179.7 | 3 | 0 | 0 | 111.9 | M182 E183 A188 Q189 A190 | M182-Q186 HydrophobicContact CE-CG 3.72Å; M182-Q186 WeakPolarHBondContact O-CG 3.47Å; M182-Q186 PolarHBondContact O-N 3.36Å; E183-Q186 PolarHBondContact O-N 2.76Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; Q186-A188 PolarHBondContact O-N 2.9Å; Q186-Q189 PolarHBondContact O-N 3.23Å; Q186-A190 PolarHBondContact O-N 3.02Å |
| 187 | R | 70.3 | Confident | 70.5 | Confident | 148 Ų | 148 | 106.5 Ų | 106.5 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 175.2 | -71.6 | 176.1 | -172.4 | -173.6 | 3.3 | 111.7 | E183 M184 A190 L191 | E183-R187 WeakPolarHBondContact O-CG 3.29Å; E183-R187 PolarHBondContact O-N 3.5Å; E183-R187 IonicContact OE1-CZ 3.98Å; E183-R187 IonicContact OE1-NE 2.67Å; E183-R187 IonicContact OE1-NH2 3.97Å; E183-R187 PolarHBondContact OE1-NH2 3.41Å; M184-R187 PolarHBondContact O-N 2.87Å; R187-A190 PolarHBondContact O-N 2.88Å; R187-L191 WeakPolarHBondContact O-CG 3.4Å; R187-L191 PolarHBondContact O-N 3.46Å |
| 188 | A | 70.5 | Confident | 70.7 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | M184 F185 Q186 A190 L191 R192 | M184-A188 WeakPolarHBondContact O-CB 3.41Å; M184-A188 PolarHBondContact O-N 3.44Å; F185-A188 PolarHBondContact O-N 3.46Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; Q186-A188 PolarHBondContact O-N 2.9Å; A188-A190 PolarHBondContact O-N 3.29Å; A188-L191 PolarHBondContact O-N 3.04Å; A188-R192 PolarHBondContact O-N 2.91Å |
| 189 | Q | 65.2 | Low | 70.5 | Confident | 86 Ų | 86 | 110.7 Ų | 110.7 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 173.9 | -73.6 | -167.6 | 9.2 | 0 | 0 | 112.7 | F185 Q186 R192 R193 | F185-Q189 HydrophobicContact CE1-CG 4.42Å; F185-Q189 HydrophobicContact CZ-CG 4.47Å; F185-Q189 WeakPolarHBondContact O-CG 3.33Å; F185-Q189 PolarHBondContact O-N 2.87Å; Q186-Q189 PolarHBondContact O-N 3.23Å; Q189-R192 WeakPolarHBondContact O-CB 3.29Å; Q189-R192 PolarHBondContact O-N 3.39Å; Q189-R193 PolarHBondContact O-N 2.97Å |
| 190 | A | 72.9 | Confident | 70.2 | Confident | 46 Ų | 46 | 112.5 Ų | 112.5 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q186 R187 A188 R192 R193 R194 | Q186-A190 PolarHBondContact O-N 3.02Å; R187-A190 PolarHBondContact O-N 2.88Å; A188-A190 PolarHBondContact O-N 3.29Å; A190-R192 VanDerWaalsContact C-N 3.33Å; A190-R192 PolarHBondContact O-N 3.27Å; A190-R193 PolarHBondContact O-N 3.43Å; A190-R194 WeakPolarHBondContact O-CG 3.48Å; A190-R194 PolarHBondContact O-N 3.31Å |
| 191 | L | 75.7 | Confident | 69.5 | Low | 112 Ų | 112 | 114 Ų | 114 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 173.4 | -74.5 | 169.5 | 0 | 0 | 0 | 111.8 | R187 A188 R194 A195 | R187-L191 WeakPolarHBondContact O-CG 3.4Å; R187-L191 PolarHBondContact O-N 3.46Å; A188-L191 PolarHBondContact O-N 3.04Å; L191-R194 PolarHBondContact O-N 3.48Å; L191-A195 PolarHBondContact O-N 2.67Å |
| 192 | R | 73.6 | Confident | 69.5 | Low | 136 Ų | 136 | 113.8 Ų | 113.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.7 | -179 | -178.1 | 166.9 | -175.4 | -0.7 | 111.8 | A188 Q189 A190 R194 A195 E196 | A188-R192 PolarHBondContact O-N 2.91Å; Q189-R192 WeakPolarHBondContact O-CB 3.29Å; Q189-R192 PolarHBondContact O-N 3.39Å; A190-R192 VanDerWaalsContact C-N 3.33Å; A190-R192 PolarHBondContact O-N 3.27Å; R192-R194 VanDerWaalsContact C-N 3.35Å; R192-R194 PolarHBondContact O-N 3.34Å; R192-A195 PolarHBondContact O-N 3.37Å; R192-E196 IonicContact CZ-OE1 3.47Å; R192-E196 IonicContact NE-OE1 2.82Å; R192-E196 PolarHBondContact NE-OE1 3.18Å; R192-E196 IonicContact NH2-OE1 3.26Å; R192-E196 PolarHBondContact NH2-OE1 3.39Å; R192-E196 WeakPolarHBondContact O-CG 3.49Å; R192-E196 PolarHBondContact O-N 3.04Å |
| 193 | R | 69.9 | Low | 68.7 | Low | 169 Ų | 169 | 113.2 Ų | 113.2 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 177 | -71.9 | -170.7 | -175 | 177.9 | 3.6 | 112 | Q189 A190 A195 E196 D197 | Q189-R193 PolarHBondContact O-N 2.97Å; A190-R193 PolarHBondContact O-N 3.43Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3Å; R193-E196 PolarHBondContact O-N 3.22Å; R193-D197 WeakPolarHBondContact O-CB 3.38Å; R193-D197 VanDerWaalsContact O-CG 3.28Å; R193-D197 PolarHBondContact O-N 2.98Å |
| 194 | R | 74.9 | Confident | 67.5 | Low | 180 Ų | 180 | 114 Ų | 114 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 175.4 | -71.4 | -179.2 | -170.6 | 172.5 | 3.3 | 112.8 | A190 L191 R192 D197 Y198 | A190-R194 WeakPolarHBondContact O-CG 3.48Å; A190-R194 PolarHBondContact O-N 3.31Å; L191-R194 PolarHBondContact O-N 3.48Å; R192-R194 VanDerWaalsContact C-N 3.35Å; R192-R194 PolarHBondContact O-N 3.34Å; R194-D197 PolarHBondContact O-N 2.88Å; R194-Y198 WeakPolarHBondContact O-CB 3.38Å; R194-Y198 PolarHBondContact O-N 3.33Å |
| 195 | A | 68.3 | Low | 66.6 | Low | 60 Ų | 60 | 113 Ų | 113 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L191 R192 R193 Y198 Y199 | L191-A195 PolarHBondContact O-N 2.67Å; R192-A195 PolarHBondContact O-N 3.37Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3Å; A195-Y198 PolarHBondContact O-N 3.05Å; A195-Y199 WeakPolarHBondContact O-CB 3.41Å; A195-Y199 PolarHBondContact O-N 2.83Å |
| 196 | E | 68.9 | Low | 65.6 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 173.8 | -72.5 | 175.5 | -171.6 | 0 | 0 | 111.6 | R192 R193 Y199 R200 | R192-E196 IonicContact CZ-OE1 3.47Å; R192-E196 IonicContact NE-OE1 2.82Å; R192-E196 PolarHBondContact NE-OE1 3.18Å; R192-E196 IonicContact NH2-OE1 3.26Å; R192-E196 PolarHBondContact NH2-OE1 3.39Å; R192-E196 WeakPolarHBondContact O-CG 3.49Å; R192-E196 PolarHBondContact O-N 3.04Å; R193-E196 PolarHBondContact O-N 3.22Å; E196-Y199 PolarHBondContact O-N 2.98Å; E196-R200 PolarHBondContact O-N 3.47Å |
| 197 | D | 73.6 | Confident | 64.8 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.6 | -70.3 | -28.4 | 0 | 0 | 0 | 111.7 | R193 R194 Y199 R200 C201 | R193-D197 WeakPolarHBondContact O-CB 3.38Å; R193-D197 VanDerWaalsContact O-CG 3.28Å; R193-D197 PolarHBondContact O-N 2.98Å; R194-D197 PolarHBondContact O-N 2.88Å; D197-Y199 VanDerWaalsContact C-N 3.28Å; D197-Y199 PolarHBondContact O-N 3.5Å; D197-R200 PolarHBondContact O-N 3.09Å; D197-R200 VanDerWaalsContact O-N 3.15Å; D197-C201 WeakPolarHBondContact O-CB 3.43Å; D197-C201 PolarHBondContact O-N 3.36Å; D197-C201 PolarHBondContact O-SG 3.44Å; D197-C201 VanDerWaalsContact O-SG 3.34Å |
| 198 | Y | 71.8 | Confident | 63.9 | Low | 150 Ų | 150 | 109.1 Ų | 109.1 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.6 | -43.3 | 172.1 | 175.7 | -101 | 0 | 0 | 0 | 111.6 | R194 A195 C201 K202 | R194-Y198 WeakPolarHBondContact O-CB 3.38Å; R194-Y198 PolarHBondContact O-N 3.33Å; A195-Y198 PolarHBondContact O-N 3.05Å; Y198-C201 PolarHBondContact O-N 3.27Å; Y198-K202 HydrophobicContact CD1-CG 4.48Å; Y198-K202 HydrophobicContact CE1-CG 4.13Å; Y198-K202 HydrophobicContact CE2-CG 4.29Å; Y198-K202 VanDerWaalsContact CZ-CE 3.47Å; Y198-K202 WeakPolarHBondContact O-CB 3.35Å; Y198-K202 WeakPolarHBondContact O-CG 3.44Å; Y198-K202 PolarHBondContact O-N 3.45Å; Y198-K202 WeakPolarHBondContact OH-CE 3.07Å |
| 199 | Y | 62.1 | Low | 62.9 | Low | 152 Ų | 152 | 114 Ų | 114 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -40.5 | 176.3 | -167.8 | -100.7 | 0 | 0 | 0 | 112 | A195 E196 D197 C201 K202 I203 | A195-Y199 WeakPolarHBondContact O-CB 3.41Å; A195-Y199 PolarHBondContact O-N 2.83Å; E196-Y199 PolarHBondContact O-N 2.98Å; D197-Y199 VanDerWaalsContact C-N 3.28Å; D197-Y199 PolarHBondContact O-N 3.5Å; Y199-C201 VanDerWaalsContact C-N 3.3Å; Y199-C201 PolarHBondContact O-N 3.03Å; Y199-K202 PolarHBondContact O-N 3.07Å; Y199-I203 HydrophobicContact CD1-CD1 4.1Å; Y199-I203 HydrophobicContact CE1-CD1 3.84Å; Y199-I203 HydrophobicContact CE1-CG1 4.4Å; Y199-I203 WeakPolarHBondContact O-CG1 3.46Å; Y199-I203 PolarHBondContact O-N 2.94Å |
| 200 | R | 62 | Low | 62.1 | Low | 165 Ų | 165 | 113.8 Ų | 113.8 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -36 | 174.3 | -85.8 | -161.2 | -174.3 | -136.2 | 5.9 | 112.9 | E196 D197 | E196-R200 PolarHBondContact O-N 3.47Å; D197-R200 PolarHBondContact O-N 3.09Å; D197-R200 VanDerWaalsContact O-N 3.15Å |
| 201 | C | 63.7 | Low | 60.8 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 76% | 0.764 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.2 | -26.8 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 113 | D197 Y198 Y199 | D197-C201 WeakPolarHBondContact O-CB 3.43Å; D197-C201 PolarHBondContact O-N 3.36Å; D197-C201 PolarHBondContact O-SG 3.44Å; D197-C201 VanDerWaalsContact O-SG 3.34Å; Y198-C201 PolarHBondContact O-N 3.27Å; Y199-C201 VanDerWaalsContact C-N 3.3Å; Y199-C201 PolarHBondContact O-N 3.03Å |
| 202 | K | 62.2 | Low | 59.5 | Low | 139 Ų | 139 | 116.3 Ų | 116.3 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.5 | -16.8 | 174 | -78.6 | -77.7 | -169.3 | 178.1 | 0 | 113.8 | Y198 Y199 T204 | Y198-K202 HydrophobicContact CD1-CG 4.48Å; Y198-K202 HydrophobicContact CE1-CG 4.13Å; Y198-K202 HydrophobicContact CE2-CG 4.29Å; Y198-K202 VanDerWaalsContact CZ-CE 3.47Å; Y198-K202 WeakPolarHBondContact O-CB 3.35Å; Y198-K202 WeakPolarHBondContact O-CG 3.44Å; Y198-K202 PolarHBondContact O-N 3.45Å; Y198-K202 WeakPolarHBondContact OH-CE 3.07Å; Y199-K202 PolarHBondContact O-N 3.07Å; K202-T204 PolarHBondContact O-N 3.43Å |
| 203 | I | 51.8 | Low | 58.2 | Low | 66 Ų | 66 | 114.3 Ų | 114.3 | 34% | 0.338 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -76.7 | 112.8 | 170.1 | -62.9 | 170.6 | 0 | 0 | 0 | 108.3 | Y199 A207 | Y199-I203 HydrophobicContact CD1-CD1 4.1Å; Y199-I203 HydrophobicContact CE1-CD1 3.84Å; Y199-I203 HydrophobicContact CE1-CG1 4.4Å; Y199-I203 WeakPolarHBondContact O-CG1 3.46Å; Y199-I203 PolarHBondContact O-N 2.94Å; I203-A207 HydrophobicContact CG2-CB 4.31Å |
| 204 | T | 47.4 | Very low | 57.1 | Low | 95 Ų | 95 | 114.5 Ų | 114.5 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | trans | -54.8 | 134.5 | 177.3 | 28.9 | 0 | 0 | 0 | 0 | 111.2 | K202 S206 A207 | K202-T204 PolarHBondContact O-N 3.43Å; T204-S206 PolarHBondContact O-N 3.38Å; T204-A207 PolarHBondContact O-N 3.28Å | ||
| 205 | P | 53.2 | Low | 55.9 | Low | 105 Ų | 105 | 111 Ų | 111 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -53.6 | -25.3 | 178.6 | -27.4 | 34 | 0 | 0 | 0 | 114.2 | A207 R208 | P205-A207 VanDerWaalsContact C-N 3.3Å; P205-A207 PolarHBondContact O-N 3.36Å; P205-R208 PolarHBondContact O-N 3Å |
| 206 | S | 51 | Low | 55.1 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -62.2 | -32.5 | 178.3 | -161.1 | 0 | 0 | 0 | 0 | 113.4 | T204 R208 K209 | T204-S206 PolarHBondContact O-N 3.38Å; S206-R208 PolarHBondContact O-N 3.45Å; S206-K209 PolarHBondContact O-N 3.1Å |
| 207 | A | 52 | Low | 54.1 | Low | 58 Ų | 58 | 118.5 Ų | 118.5 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -75.5 | -7.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | I203 T204 P205 P210 | I203-A207 HydrophobicContact CG2-CB 4.31Å; T204-A207 PolarHBondContact O-N 3.28Å; P205-A207 VanDerWaalsContact C-N 3.3Å; P205-A207 PolarHBondContact O-N 3.36Å; A207-P210 WeakPolarHBondContact O-CD 3.31Å |
| 208 | R | 51.7 | Low | 52.7 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -88.7 | -16.2 | 174.8 | -69.1 | -175.3 | -176.5 | 165 | 7 | 113.5 | P205 S206 P210 | P205-R208 PolarHBondContact O-N 3Å; S206-R208 PolarHBondContact O-N 3.45Å; R208-P210 VanDerWaalsContact C-CD 3.48Å |
| 209 | K | 48.8 | Very low | 51.3 | Low | 155 Ų | 155 | 111.9 Ų | 111.9 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.1 | -25.3 | -179 | -77.2 | 178.2 | 174.7 | 179.7 | 0 | 116.7 | S206 | S206-K209 PolarHBondContact O-N 3.1Å |
| 210 | P | 48.1 | Very low | 50.4 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -77.8 | -27 | -178.6 | -6.9 | 22 | 0 | 0 | 0 | 113.4 | A207 R208 R214 | A207-P210 WeakPolarHBondContact O-CD 3.31Å; R208-P210 VanDerWaalsContact C-CD 3.48Å; P210-R214 PolarHBondContact O-N 3.49Å; P210-R214 VanDerWaalsContact O-N 3.15Å |
| 211 | L | 45.5 | Very low | 49.5 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77 | -35.1 | -177.2 | -77.1 | 166.5 | 0 | 0 | 0 | 112.7 | V215 | L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 2.9Å |
| 212 | C | 48.3 | Very low | 48.3 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.7 | -33.6 | 174.9 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | R216 | C212-R216 WeakPolarHBondContact O-CB 3.43Å; C212-R216 VanDerWaalsContact O-CG 3.31Å; C212-R216 WeakPolarHBondContact O-CG 3.17Å; C212-R216 PolarHBondContact O-N 3.27Å; C212-R216 VanDerWaalsContact O-N 3.14Å |
| 213 | N | 46.7 | Very low | 47.4 | Very low | 94 Ų | 94 | 112 Ų | 112 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75 | -34.7 | 176.3 | -74.8 | -8.9 | 0 | 0 | 0 | 112.2 | R216 M217 | N213-R216 PolarHBondContact O-N 3.3Å; N213-M217 WeakPolarHBondContact O-CB 3.32Å; N213-M217 VanDerWaalsContact O-CG 3.28Å; N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 3.49Å |
| 214 | R | 47.4 | Very low | 47 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.4 | -40.1 | 176 | -167.7 | 172.7 | -176.9 | 161.5 | 2.5 | 112.9 | P210 R216 M217 A218 | P210-R214 PolarHBondContact O-N 3.49Å; P210-R214 VanDerWaalsContact O-N 3.15Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-M217 PolarHBondContact O-N 3.15Å; R214-A218 WeakPolarHBondContact O-CB 3.28Å; R214-A218 PolarHBondContact O-N 3.14Å |
| 215 | V | 48.6 | Very low | 47 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.3 | -33.7 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L211 A219 | L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 2.9Å; V215-A219 WeakPolarHBondContact O-CB 3.43Å; V215-A219 PolarHBondContact O-N 3.2Å |
| 216 | R | 51.4 | Low | 46.6 | Very low | 181 Ų | 181 | 117.7 Ų | 117.7 | 68% | 0.683 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.9 | -38 | 173.8 | -79.5 | 178.3 | 60.1 | 175.7 | -2.9 | 113.5 | C212 N213 R214 A219 V220 | C212-R216 WeakPolarHBondContact O-CB 3.43Å; C212-R216 VanDerWaalsContact O-CG 3.31Å; C212-R216 WeakPolarHBondContact O-CG 3.17Å; C212-R216 PolarHBondContact O-N 3.27Å; C212-R216 VanDerWaalsContact O-N 3.14Å; N213-R216 PolarHBondContact O-N 3.3Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R216-A219 PolarHBondContact O-N 3.13Å; R216-V220 VanDerWaalsContact O-CG2 3.32Å; R216-V220 WeakPolarHBondContact O-CG2 3.43Å; R216-V220 PolarHBondContact O-N 3.16Å; R216-V220 VanDerWaalsContact O-N 3.17Å |
| 217 | M | 47.8 | Very low | 46.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.4 | -42.6 | 177.6 | -74 | -69.4 | -72 | 0 | 0 | 112 | N213 R214 A219 V220 E221 | N213-M217 WeakPolarHBondContact O-CB 3.32Å; N213-M217 VanDerWaalsContact O-CG 3.28Å; N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 3.49Å; R214-M217 PolarHBondContact O-N 3.15Å; M217-A219 PolarHBondContact O-N 2.89Å; M217-V220 PolarHBondContact O-N 2.97Å; M217-E221 PolarHBondContact O-N 3.27Å |
| 218 | A | 44.4 | Very low | 45.4 | Very low | 51 Ų | 51 | 122 Ų | 122 | 42% | 0.421 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.2 | -31.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R214 V220 H222 | R214-A218 WeakPolarHBondContact O-CB 3.28Å; R214-A218 PolarHBondContact O-N 3.14Å; A218-V220 VanDerWaalsContact C-N 3.35Å; A218-H222 PolarHBondContact O-CD2 3.33Å |
| 219 | A | 42.2 | Very low | 44.9 | Very low | 52 Ų | 52 | 120.3 Ų | 120.3 | 43% | 0.43 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -79.2 | -13.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | V215 R216 M217 R223 | V215-A219 WeakPolarHBondContact O-CB 3.43Å; V215-A219 PolarHBondContact O-N 3.2Å; R216-A219 PolarHBondContact O-N 3.13Å; M217-A219 PolarHBondContact O-N 2.89Å; A219-R223 WeakPolarHBondContact O-CG 3.48Å |
| 220 | V | 44 | Very low | 44.2 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 53% | 0.527 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -88.8 | -37.4 | 174.3 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | R216 M217 A218 H222 R223 | R216-V220 VanDerWaalsContact O-CG2 3.32Å; R216-V220 WeakPolarHBondContact O-CG2 3.43Å; R216-V220 PolarHBondContact O-N 3.16Å; R216-V220 VanDerWaalsContact O-N 3.17Å; M217-V220 PolarHBondContact O-N 2.97Å; A218-V220 VanDerWaalsContact C-N 3.35Å; V220-H222 VanDerWaalsContact C-N 3.29Å; V220-H222 PolarHBondContact O-N 3.3Å; V220-R223 WeakPolarHBondContact O-CB 3.39Å; V220-R223 PolarHBondContact O-N 3.43Å; V220-R223 VanDerWaalsContact O-N 3.16Å |
| 221 | E | 42.8 | Very low | 43.9 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67 | -27.1 | 176.5 | -90.8 | 172.7 | 150.2 | 0 | 0 | 113.7 | M217 R223 | M217-E221 PolarHBondContact O-N 3.27Å; E221-R223 VanDerWaalsContact C-N 3.28Å; E221-R223 PolarHBondContact O-N 3.17Å |
| 222 | H | 39.2 | Very low | 44 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 75% | 0.75 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -81.2 | 2.4 | 174.3 | -83.1 | -68.4 | 0 | 0 | 0 | 114.6 | A218 V220 | A218-H222 PolarHBondContact O-CD2 3.33Å; V220-H222 VanDerWaalsContact C-N 3.29Å; V220-H222 PolarHBondContact O-N 3.3Å |
| 223 | R | 42.8 | Very low | 43.4 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -93.5 | 14.9 | -174 | -82 | -172.5 | -179.3 | -152.9 | -0.5 | 116.6 | A219 V220 E221 | A219-R223 WeakPolarHBondContact O-CG 3.48Å; V220-R223 WeakPolarHBondContact O-CB 3.39Å; V220-R223 PolarHBondContact O-N 3.43Å; V220-R223 VanDerWaalsContact O-N 3.16Å; E221-R223 VanDerWaalsContact C-N 3.28Å; E221-R223 PolarHBondContact O-N 3.17Å |
| 224 | H | 43.9 | Very low | 43.3 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -90.3 | -3.1 | 171.6 | -71.7 | -63.7 | 0 | 0 | 0 | 115.1 | ||
| 225 | S | 46.4 | Very low | 43.5 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -144.3 | 71.3 | 176.1 | -70.7 | 0 | 0 | 0 | 0 | 113 | ||
| 226 | S | 45.6 | Very low | 43.5 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | 168.6 | 107.2 | 145.4 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | L228 | S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.96Å | ||
| 227 | G | 40.9 | Very low | 43.4 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 88% | 0.876 | 68% | 0.678 | S | S | * | * | trans | -73.7 | 67.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 228 | L | 37.6 | Very low | 43.1 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | trans | -137.1 | 130.7 | 167.7 | -74.7 | 175.6 | 0 | 0 | 0 | 111.7 | S226 Y230 | S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.96Å; L228-Y230 PolarHBondContact O-N 3.44Å | ||
| 229 | P | 40.4 | Very low | 43.2 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -77.5 | 111.3 | -178.7 | 29.3 | -31 | 0 | 0 | 0 | 111.5 | ||||
| 230 | Y | 33.5 | Very low | 43.6 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | trans | -75.4 | 115.9 | 168 | 176.9 | -104 | 0 | 0 | 0 | 110.8 | L228 P232 | L228-Y230 PolarHBondContact O-N 3.44Å; Y230-P232 HydrophobicContact CE1-CB 4.38Å; Y230-P232 HydrophobicContact CE1-CG 4.28Å | ||
| 231 | W | 41.5 | Very low | 43.8 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 72% | 0.716 | 70% | 0.7 | S | S | * | * | trans | -97.6 | 115.9 | 172.5 | -85.4 | 93 | 0 | 0 | 0 | 110.7 | L234 | W231-L234 HydrophobicContact CE3-CD1 4.28Å; W231-L234 HydrophobicContact CZ3-CD1 3.73Å | ||
| 232 | P | 48.4 | Very low | 44.1 | Very low | 87 Ų | 87 | 137.1 Ų | 137.1 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | trans | -79.3 | 131.1 | 166.8 | 9.7 | 6.3 | 0 | 0 | 0 | 109.4 | Y230 L234 | Y230-P232 HydrophobicContact CE1-CB 4.38Å; Y230-P232 HydrophobicContact CE1-CG 4.28Å; P232-L234 PolarHBondContact O-N 2.85Å | ||
| 233 | Y | 36.5 | Very low | 44.4 | Very low | 238 Ų | 238 | 136.8 Ų | 136.8 | 93% | 0.933 | 70% | 0.702 | S | S | * | * | trans | -37.6 | 107 | 177.5 | -100.4 | -104.3 | 0 | 0 | 0 | 113.2 | ||||
| 234 | L | 43.3 | Very low | 44.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 51% | 0.508 | 71% | 0.705 | S | S | . | * | trans | -75.2 | 124.7 | 162.5 | -82.9 | 158.4 | 0 | 0 | 0 | 107.9 | W231 P232 T238 | W231-L234 HydrophobicContact CE3-CD1 4.28Å; W231-L234 HydrophobicContact CZ3-CD1 3.73Å; P232-L234 PolarHBondContact O-N 2.85Å; L234-T238 HydrophobicContact CD2-CG2 4.32Å | ||
| 235 | T | 52.7 | Low | 44.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | -57.9 | 138.1 | 170.8 | 33.7 | 0 | 0 | 0 | 0 | 110.3 | E237 T238 | T235-E237 PolarHBondContact O-N 3.4Å; T235-T238 PolarHBondContact O-N 3.06Å; T235-T238 PolarHBondContact O-OG1 3.5Å | ||
| 236 | A | 48.2 | Very low | 44.6 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -24.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T238 L239 | A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 3.24Å; A236-L239 PolarHBondContact O-N 3.29Å |
| 237 | E | 48.5 | Very low | 44.7 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -56.8 | -36.4 | 174.7 | -138.4 | 84.8 | -144.4 | 0 | 0 | 113 | T235 | T235-E237 PolarHBondContact O-N 3.4Å |
| 238 | T | 43.3 | Very low | 44.9 | Very low | 66 Ų | 66 | 137 Ų | 137 | 41% | 0.405 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -77.9 | -24.1 | -175.1 | -31.2 | 0 | 0 | 0 | 0 | 112.3 | L234 T235 A236 | L234-T238 HydrophobicContact CD2-CG2 4.32Å; T235-T238 PolarHBondContact O-N 3.06Å; T235-T238 PolarHBondContact O-OG1 3.5Å; A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 3.24Å |
| 239 | L | 46 | Very low | 45.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 56% | 0.555 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81.6 | -26.7 | -177.3 | -143.1 | 141.3 | 0 | 0 | 0 | 111.4 | A236 R242 M243 | A236-L239 PolarHBondContact O-N 3.29Å; L239-R242 PolarHBondContact O-N 3.17Å; L239-M243 HydrophobicContact CD2-CE 3.69Å |
| 240 | K | 50.5 | Low | 45.1 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71 | -31.3 | 178.6 | -154.8 | 177 | 171.3 | -174.7 | 0 | 113 | ||
| 241 | N | 48.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6.9 | 179.3 | -66.1 | -21.1 | 0 | 0 | 0 | 114.2 | ||
| 242 | R | 48.9 | Very low | 44.8 | Very low | 203 Ų | 203 | 133 Ų | 133 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -7.7 | 179.5 | -97.4 | -172.8 | 178 | -174.7 | -0.6 | 114.7 | L239 G244 | L239-R242 PolarHBondContact O-N 3.17Å; R242-G244 PolarHBondContact O-N 3.24Å |
| 243 | M | 44.6 | Very low | 44.1 | Very low | 155 Ų | 155 | 138 Ų | 138 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -0.2 | -176.4 | -139.8 | 166 | -77.5 | 0 | 0 | 113.7 | L239 | L239-M243 HydrophobicContact CD2-CE 3.69Š|
| 244 | G | 47.2 | Very low | 43.8 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R242 | R242-G244 PolarHBondContact O-N 3.24Š|
| 245 | H | 47.6 | Very low | 43.4 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | -122.5 | 113.9 | -179 | -71.4 | -55.3 | 0 | 0 | 0 | 111.8 | ||||
| 246 | Q | 43.3 | Very low | 42.3 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 134.7 | 171.6 | -163.2 | -175.5 | 24.2 | 0 | 0 | 109.9 | ||
| 247 | P | 47.2 | Very low | 41.5 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.2 | 173.9 | 28.1 | -30.9 | 0 | 0 | 0 | 110.8 | ||
| 248 | P | 46.2 | Very low | 40.7 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 152.1 | 174.5 | 30.2 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 249 | P | 43.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 158.7 | 179.4 | 29.2 | -33.6 | 0 | 0 | 0 | 112.4 | T251 | P249-T251 PolarHBondContact O-N 2.88Š|
| 250 | P | 38.3 | Very low | 39.5 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75 | 122.1 | -174.7 | 29.4 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 251 | T | 35.7 | Very low | 38.7 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.3 | 170.2 | -23.1 | 0 | 0 | 0 | 0 | 109.9 | P249 | P249-T251 PolarHBondContact O-N 2.88Š|
| 252 | Q | 32.6 | Very low | 37.9 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.8 | 179.9 | -68.1 | -179.3 | 12.4 | 0 | 0 | 112.1 | ||
| 253 | Q | 34.3 | Very low | 37 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 122.3 | 163.6 | -71.8 | -178.7 | -44.5 | 0 | 0 | 109 | ||
| 254 | H | 29.9 | Very low | 36.2 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -107 | 108.1 | 159.4 | -80.7 | 143.9 | 0 | 0 | 0 | 109.4 | ||||
| 255 | S | 34.1 | Very low | 35.3 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -63.5 | 129 | 157.5 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 256 | I | 30.9 | Very low | 34.5 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -120.3 | 105 | 159.9 | -61.2 | 177.9 | 0 | 0 | 0 | 106.6 | ||||
| 257 | I | 31 | Very low | 33.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -96.5 | 130.5 | 162.4 | -57.1 | 172.4 | 0 | 0 | 0 | 104.9 | ||||
| 258 | D | 32.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | 148.9 | 144.7 | 126.6 | -82.1 | -43.5 | 0 | 0 | 0 | 115.4 | |||||
| 259 | N | 29.9 | Very low | 32.5 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 79 | 127.7 | 169.6 | -77.8 | -34 | 0 | 0 | 0 | 117.5 | ||||
| 260 | S | 33.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | cis | -166.9 | 150.7 | 26.2 | 30.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 261 | L | 33.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -46.5 | 138.1 | 172 | -77.6 | 84.2 | 0 | 0 | 0 | 113.5 | ||||
| 262 | S | 31 | Very low | 31.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | -160.1 | 117 | 128.1 | -159.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 263 | L | 30.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -58 | 131.4 | 162.2 | -77.9 | 138.3 | 0 | 0 | 0 | 110.5 | ||||
| 264 | K | 28.2 | Very low | 31.1 | Very low | 205 Ų | 205 | 141.8 Ų | 141.8 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -164.4 | 142.2 | 133.1 | -115.1 | 168.2 | 179.7 | 176 | 0 | 112.9 | ||||
| 265 | T | 27.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -61.6 | 164.7 | -170 | 24.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 266 | P | 32 | Very low | 32 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 142.7 | 179.7 | 35.2 | -31.8 | 0 | 0 | 0 | 110.9 | ||||
| 267 | S | 30.4 | Very low | 32 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -104.6 | 99.5 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 268 | E | 34.4 | Very low | 31.8 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 137.3 | 149.7 | -72.1 | -179.7 | 146.1 | 0 | 0 | 108.9 | ||||
| 269 | C | 28.7 | Very low | 32 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -153.6 | 102.3 | 151.3 | -91 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 270 | L | 27.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | 84.4 | 98.4 | 110.2 | -56.9 | -163.1 | 0 | 0 | 0 | 115.1 | |||||
| 271 | L | 32.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 65 | 112.7 | 87.5 | -105.1 | 117.5 | 0 | 0 | 0 | 116.2 | |||||
| 272 | T | 29.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -150.6 | 137.3 | 134.1 | -17.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 273 | P | 36 | Very low | 31.6 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -119.8 | 154.9 | -171.2 | 38.6 | -25 | 0 | 0 | 0 | 116.9 | ||||
| 274 | L | 29.5 | Very low | 31.8 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 63 | 165.9 | 154.4 | -118.2 | 53 | 0 | 0 | 0 | 119.2 | ||||
| 275 | P | 40.4 | Very low | 32 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -140.1 | -179.9 | 6.5 | 21.3 | 7.5 | 0 | 0 | 0 | 119.7 | ||||
| 276 | P | 43.3 | Very low | 32.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -94.9 | 161.2 | -173.5 | 38.7 | -34.1 | 0 | 0 | 0 | 113.5 | ||||
| 277 | S | 29.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -173.9 | 146.6 | 162.2 | -77.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 278 | A | 28.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -170.4 | 141.6 | -14.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 279 | L | 36.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -86.6 | 140.6 | 164.7 | -151.8 | 89 | 0 | 0 | 0 | 108.3 | ||||
| 280 | P | 33.3 | Very low | 32.7 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | -140.4 | 125.5 | 122.9 | 31.3 | -15.1 | 0 | 0 | 0 | 110.9 | |||||
| 281 | S | 27.3 | Very low | 33 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 78.3 | 116.9 | 86.7 | -168.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 282 | A | 30 | Very low | 32.9 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | 57 | 114.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 283 | D | 28.3 | Very low | 32.9 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | -168.9 | 147.7 | 108.5 | -96.1 | -27.9 | 0 | 0 | 0 | 112 | |||||
| 284 | D | 34.1 | Very low | 32.6 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -51.2 | 147.1 | 179.4 | -66.5 | -61.6 | 0 | 0 | 0 | 114 | ||||
| 285 | N | 34.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 174.9 | 135.6 | 112.5 | -98.9 | -85.9 | 0 | 0 | 0 | 111.5 | K287 | N285-K287 PolarHBondContact O-N 3.4Š| |||
| 286 | L | 35.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -44.7 | 133 | 167.7 | -82.8 | 77.8 | 0 | 0 | 0 | 111.3 | ||||
| 287 | K | 31.6 | Very low | 32 | Very low | 198 Ų | 198 | 136 Ų | 136 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -138.8 | 87.4 | 157.1 | -145.7 | 112.3 | -178.1 | -173.5 | 0 | 110.7 | N285 | N285-K287 PolarHBondContact O-N 3.4Š| ||
| 288 | T | 35 | Very low | 32.3 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 146.1 | 150.5 | -27.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 289 | P | 34.6 | Very low | 32.8 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -122.9 | 123.8 | 135.4 | 31 | -20.3 | 0 | 0 | 0 | 108 | ||||
| 290 | A | 30.1 | Very low | 32.5 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | 42.9 | 119.7 | 47 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 291 | E | 33.6 | Very low | 32.4 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -170.6 | 149.5 | 8.6 | -98.8 | 167.8 | -179.1 | 0 | 0 | 104.3 | ||||
| 292 | C | 30.8 | Very low | 32.5 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | 178.3 | 73.3 | 151.6 | -92.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 293 | L | 30.2 | Very low | 32.9 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | 65.6 | 104.5 | 92.7 | -64.4 | -169 | 0 | 0 | 0 | 114.5 | |||||
| 294 | L | 29.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 41 | 110.4 | 141.9 | -91.1 | 78.2 | 0 | 0 | 0 | 119.4 | ||||
| 295 | Y | 28.6 | Very low | 33.6 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | -131.8 | 112.7 | 121.9 | -98 | -86.9 | 0 | 0 | 0 | 109 | |||||
| 296 | P | 36.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.2 | 158.5 | 28 | -27.7 | 0 | 0 | 0 | 108.9 | ||
| 297 | L | 33.9 | Very low | 33.8 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135.1 | 172.7 | -161.9 | 70.7 | 0 | 0 | 0 | 109.5 | ||
| 298 | P | 36.7 | Very low | 34 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139 | 178.4 | 25.8 | -33.1 | 0 | 0 | 0 | 111 | ||
| 299 | P | 39.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84 | 144 | 161.5 | 33.8 | -27.9 | 0 | 0 | 0 | 109.3 | ||
| 300 | S | 28.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 124.8 | 130.8 | 169.8 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 301 | A | 30.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | cis | -147 | 140.7 | 18.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 302 | D | 29.3 | Very low | 34.3 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | -166.8 | 105.5 | 121.9 | -99.8 | -20.4 | 0 | 0 | 0 | 108 | |||||
| 303 | D | 39.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 136.7 | 179.1 | -136.9 | -3.2 | 0 | 0 | 0 | 106.3 | ||||
| 304 | N | 38.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 77.1 | 107.5 | 163.4 | -55.6 | -80.8 | 0 | 0 | 0 | 118.2 | ||||
| 305 | L | 37.5 | Very low | 35.5 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -166.6 | 101.5 | 116.7 | -96.2 | 165.1 | 0 | 0 | 0 | 110.8 | |||||
| 306 | K | 32.5 | Very low | 35.6 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | 64 | 105.2 | 136.7 | -116.8 | 149.8 | 178.9 | 169.2 | 0 | 120 | ||||
| 307 | T | 40.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -40.5 | 142.2 | 142.2 | 2.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 308 | P | 35.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -105.2 | 143.7 | 142.5 | 33 | -26.2 | 0 | 0 | 0 | 110.5 | ||||
| 309 | P | 40.6 | Very low | 36 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 155.1 | -163.3 | 33.2 | -35 | 0 | 0 | 0 | 113.6 | C311 | P309-C311 PolarHBondContact O-N 3.16Š| ||
| 310 | E | 34.4 | Very low | 35.9 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -48.4 | 116.4 | 158.5 | -60.1 | 174.7 | 155.5 | 0 | 0 | 110.5 | L312 | E310-L312 PolarHBondContact O-N 3.01Å; E310-L312 VanDerWaalsContact O-N 3.12Å | ||
| 311 | C | 34 | Very low | 36.7 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 99.4 | 165.2 | -75.9 | 0 | 0 | 0 | 0 | 108.8 | P309 L313 | P309-C311 PolarHBondContact O-N 3.16Å; C311-L313 PolarHBondContact O-N 3.46Å; C311-L313 VanDerWaalsContact O-N 3.14Å | ||
| 312 | L | 30.9 | Very low | 37.1 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -52.5 | 107.2 | 165.1 | -61 | 177.7 | 0 | 0 | 0 | 110.7 | E310 T314 | E310-L312 PolarHBondContact O-N 3.01Å; E310-L312 VanDerWaalsContact O-N 3.12Å; L312-T314 PolarHBondContact O-N 3.37Å; L312-T314 VanDerWaalsContact O-N 3.17Å | ||
| 313 | L | 33.4 | Very low | 37.2 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -70.2 | 99.5 | 158.4 | -96.7 | 152.7 | 0 | 0 | 0 | 107.9 | C311 | C311-L313 PolarHBondContact O-N 3.46Å; C311-L313 VanDerWaalsContact O-N 3.14Å | ||
| 314 | T | 37.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -83.6 | 134.9 | 164.2 | -34.5 | 0 | 0 | 0 | 0 | 108.8 | L312 | L312-T314 PolarHBondContact O-N 3.37Å; L312-T314 VanDerWaalsContact O-N 3.17Å | ||
| 315 | P | 44.4 | Very low | 36.5 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 141.2 | -176.6 | 35 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 316 | L | 30.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -156.1 | 162.3 | 160.2 | -135.8 | 75.2 | 0 | 0 | 0 | 109.8 | ||||
| 317 | P | 37.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -112.3 | -175.3 | -104.3 | 40.6 | -22 | 0 | 0 | 0 | 111.7 | |||||
| 318 | P | 44.1 | Very low | 36.3 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -82.3 | 150.2 | -164.6 | 34.7 | -30.7 | 0 | 0 | 0 | 112.3 | ||||
| 319 | S | 33.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -138 | 136.7 | 164.1 | -78.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 320 | A | 38.7 | Very low | 35.8 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 178.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 321 | P | 46.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -95.7 | 171.1 | -155.5 | 39.7 | -36.7 | 0 | 0 | 0 | 115.2 | ||||
| 322 | P | 38.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -125.9 | 118.4 | 142.4 | 33.6 | -20.2 | 0 | 0 | 0 | 110.2 | ||||
| 323 | S | 29.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 67.4 | 110.4 | 84.2 | -171.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 324 | A | 32.8 | Very low | 36.8 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | 60.2 | 127.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 325 | D | 32.4 | Very low | 36.3 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 57 | 116.6 | 144.6 | -66.2 | -45.4 | 0 | 0 | 0 | 120.3 | ||||
| 326 | D | 37.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | -167.3 | 143.3 | 109.3 | -99.1 | -32.9 | 0 | 0 | 0 | 113.7 | |||||
| 327 | N | 35.5 | Very low | 35.8 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -84.4 | 165.5 | -176.7 | -100.2 | -92 | 0 | 0 | 0 | 112.9 | ||||
| 328 | L | 33.5 | Very low | 35.7 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 92.8 | 119.1 | 155.8 | -73 | 137.4 | 0 | 0 | 0 | 120.1 | ||||
| 329 | K | 31.4 | Very low | 35.6 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | 114.6 | 108.5 | 126.1 | -137.3 | 160.7 | -177.6 | 179.1 | 0 | 117.4 | |||||
| 330 | T | 32.9 | Very low | 35.5 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -80 | 172.2 | 156.4 | 14.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 331 | P | 49.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -127.5 | -170.3 | -31.2 | 35.7 | -16.5 | 0 | 0 | 0 | 110.9 | ||||
| 332 | P | 41.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -148.9 | 169.1 | 95.4 | 36.7 | -17.3 | 0 | 0 | 0 | 116.3 | |||||
| 333 | E | 32.5 | Very low | 34.6 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -53.5 | 140.5 | 175.8 | -57.3 | 170.6 | 161.8 | 0 | 0 | 113.5 | ||||
| 334 | C | 30 | Very low | 34.9 | Very low | 130 Ų | 130 | 144 Ų | 144 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | -140.3 | 113.4 | 158.9 | -130.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | V | 29.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 123 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 336 | C | 31.4 | Very low | 35.1 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 95.7 | 160.8 | -86.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 337 | S | 31.9 | Very low | 35.3 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 124.4 | 166.4 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 338 | L | 35.4 | Very low | 35.5 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 38 | 151.1 | 136.1 | -82.5 | 130.6 | 0 | 0 | 0 | 120.9 | F340 | L338-F340 HydrophobicContact CD2-CD2 3.86Š| ||
| 339 | P | 42.7 | Very low | 35.9 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -143.2 | 155.4 | 42.6 | 34.5 | -11.7 | 0 | 0 | 0 | 119 | ||||
| 340 | F | 31.1 | Very low | 36.6 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 134.8 | 159.8 | -82.6 | -99 | 0 | 0 | 0 | 110.9 | L338 | L338-F340 HydrophobicContact CD2-CD2 3.86Š| ||
| 341 | H | 31.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -111.7 | 122.2 | 162 | -163.7 | -40.7 | 0 | 0 | 0 | 109.3 | ||||
| 342 | P | 38.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 153.9 Ų | 153.9 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -93.3 | 128.5 | 166.9 | 33.1 | -25.5 | 0 | 0 | 0 | 108.9 | ||||
| 343 | Q | 36 | Very low | 35.9 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -106.9 | 115.7 | 164.8 | -76.3 | -171.1 | -1.7 | 0 | 0 | 109.8 | ||||
| 344 | R | 34.6 | Very low | 36.1 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -68 | 128.4 | 164.6 | -81.5 | -176 | 158.3 | -168.9 | -4.7 | 108.9 | ||||
| 345 | M | 32.2 | Very low | 36.4 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | 78.9 | 109.2 | 102.7 | -163 | -170.7 | 78.5 | 0 | 0 | 115.1 | |||||
| 346 | I | 37.8 | Very low | 36.9 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 115.1 | 143.6 | -60.3 | -176.5 | 0 | 0 | 0 | 108.8 | ||||
| 347 | I | 42.4 | Very low | 37.3 | Very low | 136 Ų | 136 | 160 Ų | 160 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | trans | -76.6 | 124.4 | 161.8 | -67.8 | 162.1 | 0 | 0 | 0 | 105.9 | R349 | I347-R349 HydrophobicContact CG2-CB 4.49Š| ||
| 348 | S | 39.2 | Very low | 37.7 | Very low | 117 Ų | 117 | 164.9 Ų | 164.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -108 | 116.5 | 160.3 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 349 | R | 42.4 | Very low | 37.9 | Very low | 224 Ų | 224 | 166.8 Ų | 166.8 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -115.3 | 111.4 | 170.2 | -162 | -176.6 | -166.4 | 170.5 | 2.6 | 104.3 | I347 | I347-R349 HydrophobicContact CG2-CB 4.49Š| ||
| 350 | N | 46.4 | Very low | 37.5 | Very low | 237 Ų | 237 | 171 Ų | 171 | 100% | 1.267 | 83% | 0.829 | S | S | * | * | trans | -165.5 | 0 | 147 | -96.9 | -6.1 | 0 | 0 | 0 | 108.3 |
Retrieved 350 of 350 residues in 101.7 ms
(Link to these results)