| 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 | 36.1 | Very low | 43.3 | Very low | 229 Ų | 229 | 148.1 Ų | 148.1 | 100% | 1.128 | 89% | 0.889 | S | S | * | * | 0 | 90.8 | 0 | -64.5 | 164.6 | 79.5 | 0 | 0 | 106.2 | |||||
| 2 | T | 43.7 | Very low | 43.8 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 90% | 0.902 | 88% | 0.882 | S | S | * | * | 65.2 | 113.6 | 112.8 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 3 | G | 41 | Very low | 43.5 | Very low | 86 Ų | 86 | 151.1 Ų | 151.1 | 89% | 0.887 | 89% | 0.885 | S | S | * | * | trans | 175.1 | 104.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | K | 46.3 | Very low | 43.2 | Very low | 218 Ų | 218 | 147.9 Ų | 147.9 | 95% | 0.948 | 88% | 0.875 | S | S | * | * | trans | -112.3 | 126.5 | -171.6 | -174.9 | -171 | -174.1 | -177.4 | 0 | 108.1 | ||||
| 5 | A | 47.2 | Very low | 42.7 | Very low | 106 Ų | 106 | 150 Ų | 150 | 88% | 0.876 | 87% | 0.872 | S | S | * | * | trans | -165.9 | 132.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 6 | G | 42.3 | Very low | 42.5 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 86% | 0.856 | 87% | 0.871 | S | S | * | * | cis | 131 | 70.1 | 25.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 7 | E | 42.3 | Very low | 42.2 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 87% | 0.868 | S | S | * | * | trans | -113.1 | 113.1 | -179.2 | -163.4 | 155.6 | 101.3 | 0 | 0 | 109.9 | ||||
| 8 | A | 43 | Very low | 41.9 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 87% | 0.865 | S | S | * | * | trans | -82.5 | 113.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | L | 45.2 | Very low | 41.6 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 85% | 0.853 | 87% | 0.866 | S | S | * | * | trans | -106.6 | 109.7 | 173.2 | -165.4 | 66 | 0 | 0 | 0 | 110.4 | ||||
| 10 | S | 44.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.4 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 11 | K | 44.9 | Very low | 40.9 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -87 | 134.3 | 169.9 | -66.4 | 174.9 | 178 | 177.1 | 0 | 110.3 | ||
| 12 | P | 49.4 | Very low | 40.9 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 143.5 | 158.5 | 31.4 | -27.3 | 0 | 0 | 0 | 112.4 | ||
| 13 | K | 40.3 | Very low | 40.4 | Very low | 210 Ų | 210 | 137.8 Ų | 137.8 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 137.4 | 169.4 | -85.4 | 172.5 | 168.6 | 175 | 0 | 110.7 | ||
| 14 | S | 38.3 | Very low | 40 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | -178.4 | 144 | 152.7 | 53 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 15 | E | 35.8 | Very low | 39.9 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | cis | -167 | 146.7 | -0.5 | -128.8 | 175 | 132.9 | 0 | 0 | 104.3 | ||||
| 16 | T | 39.5 | Very low | 39.7 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -77.7 | 121.8 | 175.9 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | V | 37.4 | Very low | 39.8 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -116.9 | 110.8 | 163.9 | 171.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 18 | A | 37.7 | Very low | 39.8 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -75 | 134.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | K | 36.3 | Very low | 39.8 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -134.7 | 117.5 | 165 | -166.3 | 163.2 | -175 | 171.5 | 0 | 110.6 | ||||
| 20 | S | 33.7 | Very low | 40.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | trans | -84.8 | 140.4 | -176.3 | -22.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 21 | T | 34.6 | Very low | 40.5 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 52.9 | 118.7 | 140.3 | 43.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 22 | S | 35.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | -153.9 | 126.7 | 114 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 23 | G | 32.9 | Very low | 41.8 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 128.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 24 | G | 32.6 | Very low | 42.7 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 122.6 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 25 | A | 44.6 | Very low | 43.7 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 26 | P | 43.7 | Very low | 45 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 131.6 | 170.7 | 30 | -31 | 0 | 0 | 0 | 110.9 | R28 | P26-R28 PolarHBondContact O-N 3.43Š|
| 27 | A | 43.8 | Very low | 46 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 123.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C29 | A27-C29 PolarHBondContact O-N 3.31Š|
| 28 | R | 43.1 | Very low | 47.3 | Very low | 239 Ų | 239 | 120.8 Ų | 120.8 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | -69.6 | 102.6 | 177.6 | -67.2 | -179.1 | 175.4 | -178.2 | -1.4 | 109 | P26 T30 | P26-R28 PolarHBondContact O-N 3.43Å; R28-T30 PolarHBondContact O-N 3.36Å; R28-T30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | C | 41.6 | Very low | 48.4 | Very low | 121 Ų | 121 | 119 Ų | 119 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -63.9 | 108.1 | 161 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | A27 G31 | A27-C29 PolarHBondContact O-N 3.31Å; C29-G31 PolarHBondContact O-N 2.89Å | ||
| 30 | T | 56 | Low | 49.6 | Very low | 139 Ų | 139 | 114.8 Ų | 114.8 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -68.9 | 80.4 | 169.7 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | R28 | R28-T30 PolarHBondContact O-N 3.36Å; R28-T30 VanDerWaalsContact O-N 3.16Å | ||
| 31 | G | 48.6 | Very low | 50.6 | Low | 52 Ų | 52 | 115.8 Ų | 115.8 | 54% | 0.536 | 71% | 0.714 | S | S | . | * | trans | -72 | 144.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | C29 G33 | C29-G31 PolarHBondContact O-N 2.89Å; G31-G33 PolarHBondContact O-N 3.3Å | ||
| 32 | F | 58.6 | Low | 51.9 | Low | 184 Ų | 184 | 118.7 Ų | 118.7 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | trans | -39.2 | 98.2 | 172.4 | -90.3 | -95.5 | 0 | 0 | 0 | 110.8 | ||||
| 33 | G | 64.1 | Low | 52.9 | Low | 31 Ų | 31 | 120.3 Ų | 120.3 | 32% | 0.32 | 71% | 0.709 | S | S | . | * | trans | -76 | 135.7 | -177 | 0 | 0 | 0 | 0 | 0 | 108.6 | G31 Q35 E36 | G31-G33 PolarHBondContact O-N 3.3Å; G33-Q35 PolarHBondContact O-N 3.32Å; G33-E36 PolarHBondContact O-N 2.96Å | ||
| 34 | I | 59.8 | Low | 53.6 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -55.9 | -22.9 | 176.6 | -65.2 | 164.1 | 0 | 0 | 0 | 111.2 | E36 I37 L38 | I34-E36 VanDerWaalsContact C-N 3.33Å; I34-E36 PolarHBondContact O-N 3.43Å; I34-I37 PolarHBondContact O-N 3.4Å; I34-L38 HydrophobicContact CG2-CD1 3.51Å; I34-L38 HydrophobicContact CG2-CG 3.84Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 3.04Å |
| 35 | Q | 57.8 | Low | 54.1 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.2 | -33.5 | 173 | -73.4 | 168.2 | 8 | 0 | 0 | 114.2 | G33 G39 L40 | G33-Q35 PolarHBondContact O-N 3.32Å; Q35-G39 PolarHBondContact O-N 3.05Å; Q35-L40 HydrophobicContact CG-CD1 4.41Å; Q35-L40 PolarHBondContact O-N 3.43Å |
| 36 | E | 62.8 | Low | 53.7 | Low | 132 Ų | 132 | 124.1 Ų | 124.1 | 62% | 0.617 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.4 | -33.5 | 175.3 | -73 | -178.3 | 143.9 | 0 | 0 | 111.9 | G33 I34 | G33-E36 PolarHBondContact O-N 2.96Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-E36 PolarHBondContact O-N 3.43Å |
| 37 | I | 61.6 | Low | 53.6 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.9 | -31.8 | 178.6 | -60.1 | 173 | 0 | 0 | 0 | 110.9 | I34 | I34-I37 PolarHBondContact O-N 3.4Å |
| 38 | L | 64.5 | Low | 53.2 | Low | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 4 | 179.7 | -65.5 | 179.8 | 0 | 0 | 0 | 114.1 | I34 L40 | I34-L38 HydrophobicContact CG2-CD1 3.51Å; I34-L38 HydrophobicContact CG2-CG 3.84Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 3.04Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 HydrophobicContact CB-CD1 4.23Å; L38-L40 HydrophobicContact CB-CG 4.06Å; L38-L40 PolarHBondContact O-N 3.11Å |
| 39 | G | 61.3 | Low | 53.2 | Low | 59 Ų | 59 | 121.2 Ų | 121.2 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | 31.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q35 N41 | Q35-G39 PolarHBondContact O-N 3.05Å; G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 PolarHBondContact O-N 3.16Å |
| 40 | L | 61.6 | Low | 53.1 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 62% | 0.623 | 70% | 0.695 | S | S | * | * | trans | -82.5 | -5 | -176.7 | -65.6 | 176.3 | 0 | 0 | 0 | 113.7 | Q35 L38 K42 | Q35-L40 HydrophobicContact CG-CD1 4.41Å; Q35-L40 PolarHBondContact O-N 3.43Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 HydrophobicContact CB-CD1 4.23Å; L38-L40 HydrophobicContact CB-CG 4.06Å; L38-L40 PolarHBondContact O-N 3.11Å; L40-K42 PolarHBondContact O-N 3.41Å | ||
| 41 | N | 55.1 | Low | 52 | Low | 118 Ų | 118 | 125 Ų | 125 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | trans | -86 | 108.7 | 170.5 | -83.9 | -58.9 | 0 | 0 | 0 | 110 | G39 | G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 PolarHBondContact O-N 3.16Å | ||
| 42 | K | 61.5 | Low | 51.2 | Low | 197 Ų | 197 | 127 Ų | 127 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | trans | -96.1 | 75.1 | 163.5 | -70.3 | 179.1 | 174.9 | -166.2 | 0 | 108.7 | L40 | L40-K42 PolarHBondContact O-N 3.41Š| ||
| 43 | E | 56.5 | Low | 50.4 | Low | 158 Ų | 158 | 126 Ų | 126 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | trans | -140.5 | 127.5 | 165.2 | -82.9 | -81.1 | 106.4 | 0 | 0 | 107.1 | ||||
| 44 | P | 47.1 | Very low | 49 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -67.3 | 151 | 173.5 | 29 | -32.6 | 0 | 0 | 0 | 110.1 | S46 | P44-S46 PolarHBondContact O-N 3.49Š| ||
| 45 | P | 42.4 | Very low | 47.5 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | trans | -68.5 | 99.3 | -179.7 | 27.9 | -33 | 0 | 0 | 0 | 110 | S47 | P45-S47 PolarHBondContact O-N 2.89Š| ||
| 46 | S | 35.8 | Very low | 46.3 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -73.5 | 114.5 | 166.4 | 59 | 0 | 0 | 0 | 0 | 108.8 | P44 H48 | P44-S46 PolarHBondContact O-N 3.49Å; S46-H48 PolarHBondContact O-N 2.78Å | ||
| 47 | S | 42.5 | Very low | 45 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -69.7 | 108.6 | 174.3 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | P45 | P45-S47 PolarHBondContact O-N 2.89Š| ||
| 48 | H | 34.4 | Very low | 44.4 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -145.6 | 146.8 | 153.1 | -81.1 | -58.7 | 0 | 0 | 0 | 112.5 | S46 | S46-H48 PolarHBondContact O-N 2.78Š| ||
| 49 | P | 43.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -86.1 | 165.4 | -156.8 | 35.3 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 50 | R | 40.1 | Very low | 41.9 | Very low | 250 Ų | 250 | 134.4 Ų | 134.4 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -60.6 | 131.6 | 164.2 | -62.8 | 172.5 | 88.4 | 156.9 | 4.8 | 110.1 | ||||
| 51 | A | 32.1 | Very low | 40.8 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -146.2 | 112.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 52 | A | 33 | Very low | 40.1 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 55.1 | 109.2 | 72.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 53 | L | 40.5 | Very low | 39 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -8.4 | 130.1 | 154.3 | -57.1 | 165.8 | 0 | 0 | 0 | 114 | ||||
| 54 | D | 34.5 | Very low | 37.9 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | -178 | 153.8 | 104.8 | -104.6 | -40.5 | 0 | 0 | 0 | 112.7 | |||||
| 55 | G | 28.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -141.2 | 86.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 56 | L | 33.1 | Very low | 37.3 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 102 | 157.4 | -104.5 | 144.8 | 0 | 0 | 0 | 110.8 | ||||
| 57 | A | 35.7 | Very low | 37.6 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | 49.6 | 150.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 58 | P | 49.1 | Very low | 37.3 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 154.5 | -161.9 | 38.4 | -27.2 | 0 | 0 | 0 | 114.6 | ||||
| 59 | G | 35.9 | Very low | 37.3 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -158.6 | 100.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 60 | H | 36.8 | Very low | 37.7 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | 43.7 | 132.3 | 150.3 | -72.5 | -87.4 | 0 | 0 | 0 | 124.2 | ||||
| 61 | L | 38.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -70.8 | 151.9 | 176.6 | -63.5 | 164.4 | 0 | 0 | 0 | 114.6 | ||||
| 62 | L | 40.6 | Very low | 37.7 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | 165.8 | 132 | 101.3 | -87.8 | 173.6 | 0 | 0 | 0 | 113.9 | |||||
| 63 | A | 38.7 | Very low | 38.1 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 61.3 | 145.3 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 64 | A | 33.6 | Very low | 37.8 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -161.7 | 142.5 | 17.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 65 | R | 40 | Very low | 37.7 | Very low | 231 Ų | 231 | 122.1 Ų | 122.1 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 17.5 | 132.6 | 138.4 | -44.5 | 177.9 | 81.1 | 174.8 | 4.3 | 121 | ||||
| 66 | S | 34.9 | Very low | 38.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | 165.8 | 120.4 | 106.4 | -72 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 67 | V | 43.5 | Very low | 38.9 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 62.4 | 116 | 96.7 | -174 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 68 | L | 35.9 | Very low | 39.2 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 166.9 | 117.5 | 121.1 | -170 | 56.8 | 0 | 0 | 0 | 111.8 | |||||
| 69 | S | 33.5 | Very low | 39 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | -76.2 | 159.5 | 157 | -152.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 70 | P | 52.4 | Low | 38.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | -158.9 | 175.9 | 59.2 | 39.7 | -15.4 | 0 | 0 | 0 | 119.2 | |||||
| 71 | A | 38.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | 94 | 134.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 72 | G | 34.5 | Very low | 39.7 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 133.8 | 74.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 73 | V | 41.8 | Very low | 39.4 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 93% | 0.933 | 82% | 0.816 | S | S | * | * | 44.1 | 122.3 | 90.1 | -163.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 74 | G | 32.6 | Very low | 40.1 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | cis | 169.8 | 159.1 | 8.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 75 | G | 33.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | 166.6 | 91.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 76 | M | 49.5 | Very low | 40.9 | Very low | 195 Ų | 195 | 116.9 Ų | 116.9 | 96% | 0.961 | 82% | 0.821 | S | S | * | * | trans | -76.5 | 146.7 | 177.1 | -147.9 | 115 | 83.3 | 0 | 0 | 111.6 | ||||
| 77 | G | 37.8 | Very low | 41.4 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | 173.9 | 85.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 78 | L | 42.3 | Very low | 41.7 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | 77.2 | 126.5 | 95 | -114.9 | 95.9 | 0 | 0 | 0 | 115.8 | |||||
| 79 | L | 45.2 | Very low | 42.2 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -57.3 | 142.4 | 179.2 | -154.2 | 73.1 | 0 | 0 | 0 | 113.4 | ||||
| 80 | G | 31.7 | Very low | 43 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -160.3 | 116.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 81 | P | 50.4 | Low | 42.8 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -93.8 | 149.3 | -178.3 | 35.7 | -30 | 0 | 0 | 0 | 111.8 | ||||
| 82 | G | 41.9 | Very low | 43.4 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | 106.4 | 121.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 83 | G | 35.8 | Very low | 44 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | 160 | 76.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 84 | L | 52.5 | Low | 44 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -62.8 | 131.3 | 165.2 | -64 | 168.6 | 0 | 0 | 0 | 109.3 | G86 | L84-G86 PolarHBondContact O-N 3.27Š| ||
| 85 | P | 50.7 | Low | 44.6 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | -78.7 | 113.2 | 163.8 | 28.2 | -27.9 | 0 | 0 | 0 | 109.6 | F87 | P85-F87 PolarHBondContact O-N 3.11Š| ||
| 86 | G | 40.6 | Very low | 45.1 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -60.4 | 125.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 Y88 | L84-G86 PolarHBondContact O-N 3.27Å; G86-Y88 VanDerWaalsContact C-N 3.32Å; G86-Y88 PolarHBondContact O-N 2.92Å | ||
| 87 | F | 45.5 | Very low | 45 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -93.5 | 40.6 | -177.7 | -147.2 | -92.7 | 0 | 0 | 0 | 112.5 | P85 | P85-F87 PolarHBondContact O-N 3.11Š| ||
| 88 | Y | 49.4 | Very low | 45 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -138.5 | 83.4 | 177.7 | -120.2 | -96.5 | 0 | 0 | 0 | 111.1 | G86 Q90 | G86-Y88 VanDerWaalsContact C-N 3.32Å; G86-Y88 PolarHBondContact O-N 2.92Å; Y88-Q90 HydrophobicContact CD1-CG 3.96Å; Y88-Q90 HydrophobicContact CE1-CG 4Å | ||
| 89 | A | 47 | Very low | 44.6 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -109 | 98.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 90 | Q | 49.1 | Very low | 44.7 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 66% | 0.659 | 82% | 0.815 | S | S | * | * | trans | -65.6 | 140 | 170.6 | -73 | -81.4 | 31.6 | 0 | 0 | 109.8 | Y88 | Y88-Q90 HydrophobicContact CD1-CG 3.96Å; Y88-Q90 HydrophobicContact CE1-CG 4Å | ||
| 91 | P | 48.5 | Very low | 44.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -79.3 | 120.5 | 166.3 | 30.6 | -29.1 | 0 | 0 | 0 | 109.9 | F93 | P91-F93 PolarHBondContact O-N 2.86Å; P91-F93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | T | 50.3 | Low | 44.3 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -64 | 101 | 168.9 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 93 | F | 46.9 | Very low | 43.9 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -101 | -6.3 | 177.7 | 146 | -102.8 | 0 | 0 | 0 | 114 | P91 | P91-F93 PolarHBondContact O-N 2.86Å; P91-F93 VanDerWaalsContact O-N 3.11Å | ||
| 94 | L | 42 | Very low | 43.9 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | trans | -128 | 86.8 | -172.9 | -100.4 | 159.6 | 0 | 0 | 0 | 112.4 | ||||
| 95 | E | 46.6 | Very low | 43.3 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -160 | 62.2 | 159.1 | -149.6 | 178.5 | 173.8 | 0 | 0 | 112.2 | ||||
| 96 | V | 42.6 | Very low | 42.6 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 81.9 | 154.5 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 97 | L | 47.8 | Very low | 42.9 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -158.4 | 79.6 | 160.5 | -103.1 | 167.9 | 0 | 0 | 0 | 106.6 | ||||
| 98 | S | 38.4 | Very low | 42.2 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 179.1 | 91.3 | 158.1 | -78.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 99 | D | 33.6 | Very low | 41.6 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | 173.3 | 139 | 116.3 | -135.3 | -11.4 | 0 | 0 | 0 | 110.2 | |||||
| 100 | P | 46.7 | Very low | 40.9 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -101 | 111.9 | 179.9 | 32.9 | -18.8 | 0 | 0 | 0 | 111.3 | ||||
| 101 | Q | 35.1 | Very low | 40.1 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -138.1 | 114 | 159.5 | -76.7 | -163.7 | -3.4 | 0 | 0 | 112.5 | ||||
| 102 | S | 39.5 | Very low | 39.6 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 26.3 | 108.3 | 151.7 | 64.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 103 | V | 34.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -120.8 | 105.4 | 151.5 | -152.8 | 0 | 0 | 0 | 0 | 108.3 | L105 | V103-L105 PolarHBondContact O-N 2.98Š| ||
| 104 | H | 35.9 | Very low | 38.9 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 110.9 | 173.5 | 176.2 | 59 | 0 | 0 | 0 | 109.3 | ||||
| 105 | L | 38.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 115.4 | 170.5 | -69.8 | 173.1 | 0 | 0 | 0 | 109.2 | V103 | V103-L105 PolarHBondContact O-N 2.98Š| ||
| 106 | Q | 35.8 | Very low | 38.3 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -89.7 | 128.3 | 166.2 | -84.1 | -97.8 | 16.5 | 0 | 0 | 109.7 | ||||
| 107 | P | 46.5 | Very low | 38.1 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -101.3 | 130.6 | 166.5 | 33.4 | -22.3 | 0 | 0 | 0 | 109.8 | ||||
| 108 | L | 32.3 | Very low | 37.7 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -129.5 | 113.1 | 166.5 | -145 | 73.9 | 0 | 0 | 0 | 110.6 | ||||
| 109 | G | 35.2 | Very low | 37.9 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -90 | 172.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 110 | R | 32.6 | Very low | 38 | Very low | 247 Ų | 247 | 130.9 Ų | 130.9 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | 121.2 | 130.5 | 133.6 | -137.9 | -174 | -170.9 | 158.1 | 2.9 | 117 | ||||
| 111 | A | 32.3 | Very low | 37.7 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 88.4 | 100.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 112 | S | 39 | Very low | 37.9 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 48.3 | 112 | 117.3 | 62.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 113 | G | 34.6 | Very low | 38.2 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 63 | 168 | 130.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 114 | P | 47.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | cis | -135.8 | -178.2 | -2.9 | 38.8 | -18 | 0 | 0 | 0 | 116.6 | ||||
| 115 | L | 42 | Very low | 39.1 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -4.5 | 152.4 | 162.4 | -86.3 | 69 | 0 | 0 | 0 | 119.7 | ||||
| 116 | D | 33.4 | Very low | 39.5 | Very low | 130 Ų | 130 | 124 Ų | 124 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -175.3 | 168.5 | 42.1 | -147.3 | -52.1 | 0 | 0 | 0 | 111.7 | ||||
| 117 | T | 40.2 | Very low | 40 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | trans | 79.7 | 102 | 142.3 | -75.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 118 | S | 38.7 | Very low | 40.5 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 38.4 | 134.2 | 122.6 | -23.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 119 | Q | 41.7 | Very low | 41.4 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 114.9 | 122.3 | 137.7 | -72.3 | -179.9 | 93.3 | 0 | 0 | 120.3 | ||||
| 120 | T | 35.6 | Very low | 42.1 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 77.6 | 117.4 | 134.1 | 59.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 121 | A | 40.9 | Very low | 42.7 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 70.3 | 139.6 | 118.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 122 | S | 40.3 | Very low | 43.4 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | 65.6 | 157.4 | 151.9 | -94.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 123 | S | 45.3 | Very low | 44 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | 169.1 | 155.3 | -8.7 | 179.4 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 124 | D | 40.9 | Very low | 44.9 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 69.8 | 146.8 | 160.2 | -114.7 | -129.7 | 0 | 0 | 0 | 116.7 | ||||
| 125 | S | 46.9 | Very low | 44.9 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 50% | 0.497 | 74% | 0.743 | S | S | . | * | cis | 176.3 | 165.2 | -9.6 | 44.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 126 | E | 49.1 | Very low | 44.9 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | 65.4 | 113.3 | 161.1 | -41.1 | -46.4 | 88.9 | 0 | 0 | 119.9 | ||||
| 127 | D | 46.4 | Very low | 45.6 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | 63.6 | 103.9 | 82.5 | -163.7 | -96.1 | 0 | 0 | 0 | 114.7 | |||||
| 128 | V | 56.1 | Low | 45.9 | Very low | 144 Ų | 144 | 134 Ų | 134 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | trans | -143.8 | 121 | 143.3 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 129 | S | 51.4 | Low | 46.3 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 139.2 | 168.4 | 178.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 130 | S | 48.7 | Very low | 46.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -154.4 | 112.9 | 145.9 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 131 | S | 45.3 | Very low | 46.9 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -75.7 | 158.5 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 132 | D | 47.2 | Very low | 47.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | trans | 83.1 | 87.9 | 145.5 | -106.3 | -72.2 | 0 | 0 | 0 | 120.5 | ||||
| 133 | R | 52.2 | Low | 47.8 | Very low | 234 Ų | 234 | 139.1 Ų | 139.1 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | -150 | 86.5 | 128.5 | -78.7 | -57.6 | 118.7 | 159.7 | 1.5 | 110.9 | M135 | R133-M135 PolarHBondContact O-N 3.17Š| |||
| 134 | K | 53.6 | Low | 48 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -57.8 | 120.7 | 152.7 | 171.9 | -178.1 | -179.8 | -174.1 | 0 | 108 | ||||
| 135 | M | 47.2 | Very low | 48.7 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -157.6 | 125.6 | 145.4 | -81.1 | -41.8 | 144 | 0 | 0 | 111.4 | R133 | R133-M135 PolarHBondContact O-N 3.17Š| ||
| 136 | S | 42.7 | Very low | 49.5 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 77 | 63.3 | 149.4 | -49.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 137 | K | 47.9 | Very low | 50.5 | Low | 219 Ų | 219 | 154.6 Ų | 154.6 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | trans | -95.2 | 72.1 | 157.9 | -165.6 | 175.5 | -171.4 | 161.8 | 0 | 110.7 | ||||
| 138 | S | 46.7 | Very low | 51.8 | Low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -164.7 | 57.4 | 171.1 | 60 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 139 | A | 47.3 | Very low | 53 | Low | 96 Ų | 96 | 160.1 Ų | 160.1 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -151.9 | 16.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 140 | L | 47.6 | Very low | 54.5 | Low | 149 Ų | 149 | 166.8 Ų | 166.8 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.4 | 28.4 | -176 | -138.9 | 79.1 | 0 | 0 | 0 | 116.2 | ||
| 141 | N | 41.7 | Very low | 56.3 | Low | 167 Ų | 167 | 168.1 Ų | 168.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -117.2 | 24.3 | 177.8 | -79.4 | 26.5 | 0 | 0 | 0 | 114.4 | ||
| 142 | Q | 51.4 | Low | 58.4 | Low | 197 Ų | 197 | 174 Ų | 174 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -116.4 | 22.9 | 172.9 | -67 | -164 | 8.6 | 0 | 0 | 114.3 | ||
| 143 | T | 48.5 | Very low | 60.6 | Low | 98 Ų | 98 | 170.2 Ų | 170.2 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -113.8 | 116.5 | 170.2 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 144 | K | 49.2 | Very low | 62.6 | Low | 159 Ų | 159 | 166.3 Ų | 166.3 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 75.8 | 89.6 | 149.7 | -55.8 | 155 | -174.2 | 171.4 | 0 | 115.5 | R146 | K144-R146 HydrophobicContact CB-CB 4.27Å; K144-R146 HydrophobicContact CB-CG 4.08Å; K144-R146 PolarHBondContact O-N 3.13Å | ||
| 145 | K | 56.1 | Low | 64.7 | Low | 223 Ų | 223 | 160.5 Ų | 160.5 | 97% | 0.97 | 76% | 0.761 | S | S | * | * | trans | -65 | 47.1 | 147.1 | -68.8 | -177.9 | 179.3 | 174.5 | 0 | 111.3 | K147 | K145-K147 PolarHBondContact O-N 3.06Š| ||
| 146 | R | 63.9 | Low | 67.1 | Low | 213 Ų | 213 | 156.3 Ų | 156.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -70.9 | 112 | 167.5 | -86.8 | -177 | 143.9 | -164.5 | -5.3 | 106.5 | K144 K148 | K144-R146 HydrophobicContact CB-CB 4.27Å; K144-R146 HydrophobicContact CB-CG 4.08Å; K144-R146 PolarHBondContact O-N 3.13Å; R146-K148 PolarHBondContact O-N 3.16Å | ||
| 147 | K | 68.8 | Low | 69.8 | Low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -45.3 | 105.7 | 175.8 | -162.9 | 162 | -176.4 | 162.4 | 0 | 109 | K145 R149 | K145-K147 PolarHBondContact O-N 3.06Å; K147-R149 PolarHBondContact O-N 3.16Å | ||
| 148 | K | 74.9 | Confident | 72.1 | Confident | 173 Ų | 173 | 150.2 Ų | 150.2 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -61 | 111.8 | -177.8 | -170.3 | 168.6 | -177.8 | 175.9 | 0 | 107.5 | R146 R150 | R146-K148 PolarHBondContact O-N 3.16Å; K148-R150 PolarHBondContact O-N 2.83Å | ||
| 149 | R | 80.9 | Confident | 74.6 | Confident | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.6 | 177.4 | -170.5 | 175.8 | 179.3 | -177.4 | 0.6 | 107.8 | K147 H151 | K147-R149 PolarHBondContact O-N 3.16Å; R149-H151 PolarHBondContact O-N 2.96Å |
| 150 | R | 83.4 | Confident | 77 | Confident | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.7 | 179.9 | -64.3 | -176.8 | -174.4 | -169.8 | 1.3 | 109.3 | K148 R152 | K148-R150 PolarHBondContact O-N 2.83Å; R150-R152 PolarHBondContact O-N 2.86Å |
| 151 | H | 84.9 | Confident | 79.4 | Confident | 151 Ų | 151 | 142.3 Ų | 142.3 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.9 | 175.2 | -57.8 | 98 | 0 | 0 | 0 | 109.3 | R149 | R149-H151 PolarHBondContact O-N 2.96Š|
| 152 | R | 91.3 | Very high | 82.1 | Confident | 218 Ų | 218 | 135.9 Ų | 135.9 | 82% | 0.823 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 132.4 | 179.8 | -173.9 | 178.3 | -177.7 | 177 | 1.6 | 108.7 | R150 | R150-R152 PolarHBondContact O-N 2.86Š|
| 153 | T | 92.8 | Very high | 84.4 | Confident | 44 Ų | 44 | 126.5 Ų | 126.5 | 27% | 0.27 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 131.4 | 170.9 | -48.3 | 0 | 0 | 0 | 0 | 109.6 | F155 L187 R191 | T153-F155 HydrophobicContact CG2-CD1 4.22Å; T153-F155 HydrophobicContact CG2-CE1 3.82Å; T153-F155 HydrophobicContact CG2-CZ 4.13Å; T153-L187 HydrophobicContact CG2-CD2 4.47Å; T153-R191 VanDerWaalsContact OG1-CD 3.31Å; T153-R191 WeakPolarHBondContact OG1-CD 3.31Å; T153-R191 PolarHBondContact OG1-NE 2.82Å; T153-R191 PolarHBondContact OG1-NH1 3.35Å |
| 154 | I | 94.5 | Very high | 86.7 | Confident | 152 Ų | 152 | 126.1 Ų | 126.1 | 78% | 0.779 | 56% | 0.556 | S | S | * | * | trans | -106.5 | 129.4 | 170.6 | -56.8 | 175 | 0 | 0 | 0 | 105.8 | ||||
| 155 | F | 97.2 | Very high | 89.1 | Confident | 54 Ų | 54 | 123.9 Ų | 123.9 | 24% | 0.237 | 55% | 0.546 | C | S | . | . | trans | -95.8 | 143.4 | 179.7 | -57.9 | -72.1 | 0 | 0 | 0 | 109.7 | T153 Q159 L160 L187 R191 W195 | T153-F155 HydrophobicContact CG2-CD1 4.22Å; T153-F155 HydrophobicContact CG2-CE1 3.82Å; T153-F155 HydrophobicContact CG2-CZ 4.13Å; F155-Q159 HydrophobicContact CB-CB 4.46Å; F155-L160 HydrophobicContact CB-CD1 4.43Å; F155-L160 HydrophobicContact CB-CD2 3.77Å; F155-L160 HydrophobicContact CB-CG 3.83Å; F155-L160 HydrophobicContact CD2-CD2 4.19Å; F155-L160 HydrophobicContact CG-CD2 4.18Å; F155-L187 HydrophobicContact CD1-CD1 3.58Å; F155-L187 HydrophobicContact CD1-CD2 4.02Å; F155-L187 HydrophobicContact CD1-CG 4.47Å; F155-L187 HydrophobicContact CE1-CD1 3.65Å; F155-L187 HydrophobicContact CE1-CD2 4.04Å; F155-L187 HydrophobicContact CE1-CG 4.47Å; F155-R191 HydrophobicContact CE1-CB 4.41Å; F155-W195 AromaticContact CD2-CD1 3.99Å; F155-W195 AromaticContact CE2-CD1 3.64Å; F155-W195 HydrophobicContact CZ-CB 4.4Å; F155-W195 AromaticContact CZ-CD1 4Å | ||
| 156 | T | 98.3 | Very high | 91 | Very high | 76 Ų | 76 | 114 Ų | 114 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | trans | -75.9 | 166 | 171.3 | 70.1 | 0 | 0 | 0 | 0 | 110.6 | Y158 Q159 L160 | T156-Y158 PolarHBondContact O-N 3.3Å; T156-Q159 PolarHBondContact O-N 2.64Å; T156-Q159 VanDerWaalsContact OG1-CG 3.25Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.34Å; T156-Q159 PolarHBondContact OG1-N 2.88Å; T156-L160 WeakPolarHBondContact O-CG 3.31Å; T156-L160 PolarHBondContact O-N 3.02Å; T156-L160 VanDerWaalsContact O-N 3.13Å | ||
| 157 | S | 97.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 104 Ų | 104 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.8 | -49.7 | 176.5 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | Q159 L160 E161 | S157-Q159 VanDerWaalsContact C-N 3.32Å; S157-Q159 PolarHBondContact O-N 3.29Å; S157-L160 WeakPolarHBondContact O-CB 3.47Å; S157-L160 PolarHBondContact O-N 2.83Å; S157-E161 WeakPolarHBondContact O-CG 3.46Å; S157-E161 PolarHBondContact O-N 3.37Å; S157-E161 PolarHBondContact OG-OE1 3.23Å |
| 158 | Y | 98.1 | Very high | 94 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.2 | -45.4 | 178.5 | 174.8 | -104.5 | 0 | 0 | 0 | 112.8 | T156 L160 E161 E162 | T156-Y158 PolarHBondContact O-N 3.3Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.01Å; Y158-E161 PolarHBondContact O-N 3.35Å; Y158-E162 HydrophobicContact CE1-CG 4.34Å; Y158-E162 HydrophobicContact CE2-CG 4.04Å; Y158-E162 PolarHBondContact O-N 2.99Å; Y158-E162 VanDerWaalsContact O-N 3.08Å |
| 159 | Q | 98.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 98.6 Ų | 98.6 | 11% | 0.112 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.9 | -70.1 | 171.8 | -21.7 | 0 | 0 | 111.8 | F155 T156 S157 L163 T185 L187 | F155-Q159 HydrophobicContact CB-CB 4.46Å; T156-Q159 PolarHBondContact O-N 2.64Å; T156-Q159 VanDerWaalsContact OG1-CG 3.25Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.34Å; T156-Q159 PolarHBondContact OG1-N 2.88Å; S157-Q159 VanDerWaalsContact C-N 3.32Å; S157-Q159 PolarHBondContact O-N 3.29Å; Q159-L163 WeakPolarHBondContact O-CB 3.47Å; Q159-L163 WeakPolarHBondContact O-CD1 3.44Å; Q159-L163 WeakPolarHBondContact O-CG 3.16Å; Q159-L163 PolarHBondContact O-N 2.88Å; Q159-T185 PolarHBondContact NE2-O 2.96Å; Q159-L187 HydrophobicContact CB-CD1 4.14Å; Q159-L187 HydrophobicContact CG-CD1 4.14Å; Q159-L187 HydrophobicContact CG-CG 4.48Å |
| 160 | L | 98.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 90.1 Ų | 90.1 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 177.4 | -68.2 | 172.8 | 0 | 0 | 0 | 111.6 | F155 T156 S157 Y158 L163 E164 | F155-L160 HydrophobicContact CB-CD1 4.43Å; F155-L160 HydrophobicContact CB-CD2 3.77Å; F155-L160 HydrophobicContact CB-CG 3.83Å; F155-L160 HydrophobicContact CD2-CD2 4.19Å; F155-L160 HydrophobicContact CG-CD2 4.18Å; T156-L160 WeakPolarHBondContact O-CG 3.31Å; T156-L160 PolarHBondContact O-N 3.02Å; T156-L160 VanDerWaalsContact O-N 3.13Å; S157-L160 WeakPolarHBondContact O-CB 3.47Å; S157-L160 PolarHBondContact O-N 2.83Å; Y158-L160 VanDerWaalsContact C-N 3.34Å; Y158-L160 PolarHBondContact O-N 3.01Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-E164 WeakPolarHBondContact O-CB 3.32Å; L160-E164 VanDerWaalsContact O-CG 3.29Å; L160-E164 WeakPolarHBondContact O-CG 3.42Å; L160-E164 PolarHBondContact O-N 3.3Å |
| 161 | E | 98.2 | Very high | 96.5 | Very high | 110 Ų | 110 | 81.8 Ų | 81.8 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 178.1 | -71.9 | 161.6 | -143.8 | 0 | 0 | 111.7 | S157 Y158 E164 K165 | S157-E161 WeakPolarHBondContact O-CG 3.46Å; S157-E161 PolarHBondContact O-N 3.37Å; S157-E161 PolarHBondContact OG-OE1 3.23Å; Y158-E161 PolarHBondContact O-N 3.35Å; E161-E164 PolarHBondContact O-N 3.41Å; E161-K165 WeakPolarHBondContact O-CB 3.34Å; E161-K165 PolarHBondContact O-N 3.36Å |
| 162 | E | 98.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 82.2 Ų | 82.2 | 15% | 0.15 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.9 | -74.2 | -64.1 | 166.7 | 0 | 0 | 112.5 | Y158 K165 A166 K184 T185 | Y158-E162 HydrophobicContact CE1-CG 4.34Å; Y158-E162 HydrophobicContact CE2-CG 4.04Å; Y158-E162 PolarHBondContact O-N 2.99Å; Y158-E162 VanDerWaalsContact O-N 3.08Å; E162-K165 PolarHBondContact O-N 3.42Å; E162-A166 PolarHBondContact O-N 3.02Å; E162-K184 HydrophobicContact CG-CD 4.48Å; E162-K184 VanDerWaalsContact OE1-CE 3.27Å; E162-K184 WeakPolarHBondContact OE1-CE 3.29Å; E162-K184 IonicContact OE1-NZ 2.89Å; E162-K184 PolarHBondContact OE1-NZ 3.36Å; E162-K184 VanDerWaalsContact OE2-CE 3.24Å; E162-K184 WeakPolarHBondContact OE2-CE 3.36Å; E162-K184 IonicContact OE2-NZ 2.64Å; E162-K184 PolarHBondContact OE2-NZ 3.02Å; E162-T185 HydrophobicContact CB-CG2 3.85Å |
| 163 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.1 | -70.3 | 170.2 | 0 | 0 | 0 | 112.2 | Q159 L160 F167 L187 I192 W195 F196 | Q159-L163 WeakPolarHBondContact O-CB 3.47Å; Q159-L163 WeakPolarHBondContact O-CD1 3.44Å; Q159-L163 WeakPolarHBondContact O-CG 3.16Å; Q159-L163 PolarHBondContact O-N 2.88Å; L160-L163 PolarHBondContact O-N 3.48Å; L163-F167 VanDerWaalsContact O-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CB 3.39Å; L163-F167 PolarHBondContact O-N 2.9Å; L163-L187 HydrophobicContact CD1-CD1 4.26Å; L163-I192 HydrophobicContact CD2-CG1 4.16Å; L163-I192 HydrophobicContact CD2-CG2 3.92Å; L163-W195 HydrophobicContact CB-CD2 4.07Å; L163-W195 HydrophobicContact CB-CE3 3.98Å; L163-W195 HydrophobicContact CB-CH2 3.65Å; L163-W195 HydrophobicContact CB-CZ2 3.73Å; L163-W195 HydrophobicContact CB-CZ3 3.78Å; L163-W195 HydrophobicContact CD1-CD2 3.9Å; L163-W195 HydrophobicContact CD1-CE3 4.44Å; L163-W195 HydrophobicContact CD1-CG 3.92Å; L163-W195 HydrophobicContact CD2-CE3 4.44Å; L163-W195 HydrophobicContact CG-CD2 4.45Å; L163-W195 WeakPolarHBondContact O-CH2 3.48Å; L163-W195 WeakPolarHBondContact O-CZ3 3.38Å; L163-F196 HydrophobicContact CD2-CE2 3.94Å |
| 164 | E | 98.2 | Very high | 97.7 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 176 | -74.9 | -172.1 | 176.4 | 0 | 0 | 112.1 | L160 E161 F167 N168 W195 | L160-E164 WeakPolarHBondContact O-CB 3.32Å; L160-E164 VanDerWaalsContact O-CG 3.29Å; L160-E164 WeakPolarHBondContact O-CG 3.42Å; L160-E164 PolarHBondContact O-N 3.3Å; E161-E164 PolarHBondContact O-N 3.41Å; E164-F167 WeakPolarHBondContact O-CB 3.45Å; E164-F167 PolarHBondContact O-N 3.23Å; E164-N168 VanDerWaalsContact O-CG 3.25Å; E164-N168 PolarHBondContact O-N 3Å; E164-N168 PolarHBondContact O-ND2 3.35Å; E164-W195 HydrophobicContact CG-CH2 3.88Å; E164-W195 HydrophobicContact CG-CZ2 3.89Å |
| 165 | K | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 71.7 Ų | 71.7 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 172.7 | -178 | -176.9 | 175.2 | -176.2 | 0 | 110.9 | E161 E162 F167 N168 E169 | E161-K165 WeakPolarHBondContact O-CB 3.34Å; E161-K165 PolarHBondContact O-N 3.36Å; E162-K165 PolarHBondContact O-N 3.42Å; K165-F167 VanDerWaalsContact C-N 3.29Å; K165-F167 PolarHBondContact O-N 2.85Å; K165-N168 WeakPolarHBondContact O-CB 3.25Å; K165-N168 PolarHBondContact O-N 3.42Å; K165-N168 VanDerWaalsContact O-N 3.17Å; K165-E169 PolarHBondContact O-N 2.86Å |
| 166 | A | 97.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 76.3 Ų | 76.3 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E162 N168 E169 A170 L181 F196 | E162-A166 PolarHBondContact O-N 3.02Å; A166-N168 VanDerWaalsContact C-N 3.31Å; A166-N168 PolarHBondContact O-N 3.44Å; A166-E169 PolarHBondContact O-N 3.46Å; A166-A170 PolarHBondContact O-N 3.11Å; A166-L181 HydrophobicContact CB-CD1 3.77Å; A166-L181 HydrophobicContact CB-CD2 3.83Å; A166-L181 HydrophobicContact CB-CG 4.38Å; A166-F196 HydrophobicContact CB-CZ 4.2Å |
| 167 | F | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 1% | 0.013 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 175.2 | -173.9 | -95.8 | 0 | 0 | 0 | 112.5 | L163 E164 K165 E169 A170 H171 W195 F196 R199 R200 W203 | L163-F167 VanDerWaalsContact O-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CB 3.39Å; L163-F167 PolarHBondContact O-N 2.9Å; E164-F167 WeakPolarHBondContact O-CB 3.45Å; E164-F167 PolarHBondContact O-N 3.23Å; K165-F167 VanDerWaalsContact C-N 3.29Å; K165-F167 PolarHBondContact O-N 2.85Å; F167-E169 VanDerWaalsContact C-N 3.29Å; F167-A170 CarbonylContact O-C 3.35Å; F167-H171 AromaticContact CD1-CD2 3.53Å; F167-H171 AromaticContact CD1-NE2 3.92Å; F167-H171 AromaticContact CE1-CD2 3.14Å; F167-H171 WeakPolarHBondContact CE1-CD2 3.32Å; F167-H171 AromaticContact CE1-NE2 3.43Å; F167-H171 WeakPolarHBondContact CE1-NE2 3.33Å; F167-H171 HydrophobicContact CE2-CB 4.27Å; F167-H171 AromaticContact CE2-CD2 3.68Å; F167-H171 AromaticContact CG-CD2 3.96Å; F167-H171 HydrophobicContact CZ-CB 4.42Å; F167-H171 AromaticContact CZ-CD2 3.21Å; F167-H171 WeakPolarHBondContact CZ-CD2 3.46Å; F167-H171 AromaticContact CZ-NE2 3.88Å; F167-H171 PolarHBondContact O-CD2 3.3Å; F167-W195 HydrophobicContact CB-CH2 4.32Å; F167-W195 HydrophobicContact CB-CZ3 4.17Å; F167-W195 HydrophobicContact CD2-CZ3 4.33Å; F167-F196 HydrophobicContact CB-CE1 4.04Å; F167-F196 HydrophobicContact CB-CZ 4.45Å; F167-F196 AromaticContact CD2-CD1 3.75Å; F167-F196 HydrophobicContact CD2-CD1 3.75Å; F167-F196 AromaticContact CD2-CE1 3.77Å; F167-F196 HydrophobicContact CD2-CE1 3.77Å; F167-F196 HydrophobicContact CE2-CD1 4.44Å; F167-F196 HydrophobicContact CG-CE1 4.41Å; F167-R199 HydrophobicContact CD1-CG 3.97Å; F167-R199 HydrophobicContact CD2-CB 4.1Å; F167-R199 HydrophobicContact CD2-CG 3.54Å; F167-R199 HydrophobicContact CE1-CG 3.9Å; F167-R199 HydrophobicContact CE2-CB 3.9Å; F167-R199 HydrophobicContact CE2-CG 3.47Å; F167-R199 VanDerWaalsContact CE2-CG 3.47Å; F167-R199 HydrophobicContact CG-CG 3.79Å; F167-R199 HydrophobicContact CZ-CB 4.41Å; F167-R199 HydrophobicContact CZ-CG 3.66Å; F167-R200 HydrophobicContact CE2-CG 3.75Å; F167-R200 HydrophobicContact CZ-CG 4.24Å; F167-W203 HydrophobicContact CE1-CB 4.43Å; F167-W203 HydrophobicContact CE1-CG 4.39Å; F167-W203 HydrophobicContact CZ-CB 4.04Å; F167-W203 HydrophobicContact CZ-CG 4.22Å |
| 168 | N | 97.3 | Very high | 97.8 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.3 | -29.2 | 176.3 | -62.8 | -32.3 | 0 | 0 | 0 | 112.1 | E164 K165 A166 | E164-N168 VanDerWaalsContact O-CG 3.25Å; E164-N168 PolarHBondContact O-N 3Å; E164-N168 PolarHBondContact O-ND2 3.35Å; K165-N168 WeakPolarHBondContact O-CB 3.25Å; K165-N168 PolarHBondContact O-N 3.42Å; K165-N168 VanDerWaalsContact O-N 3.17Å; A166-N168 VanDerWaalsContact C-N 3.31Å; A166-N168 PolarHBondContact O-N 3.44Å |
| 169 | E | 96.9 | Very high | 97.8 | Very high | 146 Ų | 146 | 71.7 Ų | 71.7 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -74.6 | -49 | 173.9 | -65.7 | 172 | -165.3 | 0 | 0 | 111.2 | K165 A166 F167 | K165-E169 PolarHBondContact O-N 2.86Å; A166-E169 PolarHBondContact O-N 3.46Å; F167-E169 VanDerWaalsContact C-N 3.29Å |
| 170 | A | 97.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | trans | -148.3 | 118.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A166 F167 Y172 | A166-A170 PolarHBondContact O-N 3.11Å; F167-A170 CarbonylContact O-C 3.35Å; A170-Y172 VanDerWaalsContact C-N 3.25Å; A170-Y172 PolarHBondContact O-N 3.38Å | ||
| 171 | H | 96.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -67.1 | -24.4 | 176.7 | -63.7 | 137.5 | 0 | 0 | 0 | 114 | F167 R200 | F167-H171 AromaticContact CD1-CD2 3.53Å; F167-H171 AromaticContact CD1-NE2 3.92Å; F167-H171 AromaticContact CE1-CD2 3.14Å; F167-H171 WeakPolarHBondContact CE1-CD2 3.32Å; F167-H171 AromaticContact CE1-NE2 3.43Å; F167-H171 WeakPolarHBondContact CE1-NE2 3.33Å; F167-H171 HydrophobicContact CE2-CB 4.27Å; F167-H171 AromaticContact CE2-CD2 3.68Å; F167-H171 AromaticContact CG-CD2 3.96Å; F167-H171 HydrophobicContact CZ-CB 4.42Å; F167-H171 AromaticContact CZ-CD2 3.21Å; F167-H171 WeakPolarHBondContact CZ-CD2 3.46Å; F167-H171 AromaticContact CZ-NE2 3.88Å; F167-H171 PolarHBondContact O-CD2 3.3Å; H171-R200 VanDerWaalsContact O-CD 3.29Å; H171-R200 WeakPolarHBondContact O-CD 3.4Å; H171-R200 PolarHBondContact O-NH1 3.43Å |
| 172 | Y | 97.9 | Very high | 97.8 | Very high | 159 Ų | 159 | 68.3 Ų | 68.3 | 62% | 0.624 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -123.9 | 78 | 179 | -66.2 | -92.5 | 0 | 0 | 0 | 109.4 | A170 | A170-Y172 VanDerWaalsContact C-N 3.25Å; A170-Y172 PolarHBondContact O-N 3.38Å |
| 173 | P | 97.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 73.5 Ų | 73.5 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -69 | 138.2 | 177.8 | 30.2 | -36.8 | 0 | 0 | 0 | 110.6 | A177 R178 F196 | P173-A177 HydrophobicContact CB-CB 3.97Å; P173-R178 HydrophobicContact CB-CG 4.13Å; P173-R178 HydrophobicContact CG-CG 3.91Å; P173-R178 PolarHBondContact O-NH1 3.37Å; P173-F196 HydrophobicContact CB-CE1 4.46Å; P173-F196 HydrophobicContact CG-CD1 3.56Å; P173-F196 HydrophobicContact CG-CD2 4.1Å; P173-F196 HydrophobicContact CG-CE1 3.51Å; P173-F196 HydrophobicContact CG-CE2 4.06Å; P173-F196 HydrophobicContact CG-CG 3.87Å; P173-F196 HydrophobicContact CG-CZ 3.78Å | ||
| 174 | D | 98 | Very high | 97.8 | Very high | 115 Ų | 115 | 78 Ų | 78 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | trans | -68.8 | 168.1 | 172.6 | -170.1 | 21.2 | 0 | 0 | 0 | 111.8 | Y176 A177 R178 | D174-Y176 VanDerWaalsContact C-N 3.35Å; D174-Y176 PolarHBondContact O-N 2.83Å; D174-A177 PolarHBondContact O-N 3.02Å; D174-R178 WeakPolarHBondContact O-CG 3.36Å; D174-R178 PolarHBondContact O-N 3.4Å | ||
| 175 | V | 97.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 73.9 Ų | 73.9 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -49.7 | -52.8 | 178 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | A177 R178 E179 | V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 2.64Å; V175-R178 WeakPolarHBondContact O-CA 3.33Å; V175-R178 WeakPolarHBondContact O-CB 3.31Å; V175-R178 PolarHBondContact O-N 2.89Å; V175-E179 HydrophobicContact CG1-CG 4.47Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.23Å |
| 176 | Y | 97.9 | Very high | 97.7 | Very high | 152 Ų | 152 | 77 Ų | 77 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.6 | -41.9 | -179.8 | 179.6 | -100.8 | 0 | 0 | 0 | 112.9 | D174 R178 E179 M180 | D174-Y176 VanDerWaalsContact C-N 3.35Å; D174-Y176 PolarHBondContact O-N 2.83Å; Y176-R178 VanDerWaalsContact C-N 3.3Å; Y176-R178 PolarHBondContact O-N 2.9Å; Y176-E179 PolarHBondContact O-N 3.3Å; Y176-M180 HydrophobicContact CD1-CG 4.24Å; Y176-M180 HydrophobicContact CE1-CG 3.78Å; Y176-M180 HydrophobicContact CE1-SD 4.17Å; Y176-M180 HydrophobicContact CE2-CG 4.34Å; Y176-M180 WeakPolarHBondContact O-CG 3.33Å; Y176-M180 PolarHBondContact O-N 3.11Å |
| 177 | A | 97.9 | Very high | 97.7 | Very high | 40 Ų | 40 | 76.9 Ų | 76.9 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P173 D174 V175 L181 | P173-A177 HydrophobicContact CB-CB 3.97Å; D174-A177 PolarHBondContact O-N 3.02Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 2.64Å; A177-L181 WeakPolarHBondContact O-CG 3.46Å; A177-L181 PolarHBondContact O-N 3.48Å; A177-L181 VanDerWaalsContact O-N 3.13Å |
| 178 | R | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 80.6 Ų | 80.6 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 174.4 | -66.8 | -167.6 | -58 | -100.2 | 5.2 | 112.4 | P173 D174 V175 Y176 L181 A182 E189 I192 | P173-R178 HydrophobicContact CB-CG 4.13Å; P173-R178 HydrophobicContact CG-CG 3.91Å; P173-R178 PolarHBondContact O-NH1 3.37Å; D174-R178 WeakPolarHBondContact O-CG 3.36Å; D174-R178 PolarHBondContact O-N 3.4Å; V175-R178 WeakPolarHBondContact O-CA 3.33Å; V175-R178 WeakPolarHBondContact O-CB 3.31Å; V175-R178 PolarHBondContact O-N 2.89Å; Y176-R178 VanDerWaalsContact C-N 3.3Å; Y176-R178 PolarHBondContact O-N 2.9Å; R178-L181 PolarHBondContact O-N 2.94Å; R178-A182 WeakPolarHBondContact O-CB 3.41Å; R178-A182 PolarHBondContact O-N 2.79Å; R178-E189 HydrophobicContact CB-CG 3.71Å; R178-E189 IonicContact CZ-OE1 3.44Å; R178-E189 IonicContact NE-OE1 2.86Å; R178-E189 PolarHBondContact NE-OE1 3.49Å; R178-E189 IonicContact NH2-OE1 3.11Å; R178-E189 PolarHBondContact NH2-OE1 2.91Å; R178-E189 VanDerWaalsContact NH2-OE1 3.11Å; R178-I192 HydrophobicContact CB-CG2 4.36Å; R178-I192 HydrophobicContact CG-CG2 4.22Å |
| 179 | E | 98.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.8 | -71.3 | 178.2 | 163 | 0 | 0 | 111.6 | V175 Y176 L181 A182 M183 | V175-E179 HydrophobicContact CG1-CG 4.47Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.23Å; Y176-E179 PolarHBondContact O-N 3.3Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.24Å; E179-A182 VanDerWaalsContact O-CB 3.31Å; E179-A182 WeakPolarHBondContact O-CB 3.13Å; E179-A182 PolarHBondContact O-N 3.22Å; E179-A182 VanDerWaalsContact O-N 3.11Å; E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.96Å |
| 180 | M | 98 | Very high | 97.7 | Very high | 97 Ų | 97 | 75.6 Ų | 75.6 | 48% | 0.478 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 174.4 | -71.4 | -96.7 | 71.8 | 0 | 0 | 112.1 | Y176 A182 M183 K184 | Y176-M180 HydrophobicContact CD1-CG 4.24Å; Y176-M180 HydrophobicContact CE1-CG 3.78Å; Y176-M180 HydrophobicContact CE1-SD 4.17Å; Y176-M180 HydrophobicContact CE2-CG 4.34Å; Y176-M180 WeakPolarHBondContact O-CG 3.33Å; Y176-M180 PolarHBondContact O-N 3.11Å; M180-A182 VanDerWaalsContact C-N 3.33Å; M180-M183 PolarHBondContact O-N 3.22Å; M180-K184 WeakPolarHBondContact O-CB 3.27Å; M180-K184 PolarHBondContact O-N 3.46Å |
| 181 | L | 98.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 78.4 Ų | 78.4 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 174.5 | -70.8 | 168.6 | 0 | 0 | 0 | 112.3 | A166 A177 R178 E179 M183 K184 T185 I192 F196 | A166-L181 HydrophobicContact CB-CD1 3.77Å; A166-L181 HydrophobicContact CB-CD2 3.83Å; A166-L181 HydrophobicContact CB-CG 4.38Å; A177-L181 WeakPolarHBondContact O-CG 3.46Å; A177-L181 PolarHBondContact O-N 3.48Å; A177-L181 VanDerWaalsContact O-N 3.13Å; R178-L181 PolarHBondContact O-N 2.94Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.24Å; L181-M183 VanDerWaalsContact C-N 3.33Å; L181-K184 PolarHBondContact O-N 3.05Å; L181-T185 WeakPolarHBondContact O-CB 3.27Å; L181-T185 PolarHBondContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 3.1Å; L181-I192 VanDerWaalsContact C-CD1 3.44Å; L181-I192 HydrophobicContact CB-CD1 3.71Å; L181-I192 HydrophobicContact CB-CG2 4.46Å; L181-I192 HydrophobicContact CD1-CG2 4.31Å; L181-F196 HydrophobicContact CD1-CE2 3.94Å; L181-F196 HydrophobicContact CD1-CZ 4.1Å |
| 182 | A | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 75.3 Ų | 75.3 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | R178 E179 M180 E186 L187 I192 | R178-A182 WeakPolarHBondContact O-CB 3.41Å; R178-A182 PolarHBondContact O-N 2.79Å; E179-A182 VanDerWaalsContact O-CB 3.31Å; E179-A182 WeakPolarHBondContact O-CB 3.13Å; E179-A182 PolarHBondContact O-N 3.22Å; E179-A182 VanDerWaalsContact O-N 3.11Å; M180-A182 VanDerWaalsContact C-N 3.33Å; A182-E186 WeakPolarHBondContact O-CA 3.31Å; A182-E186 PolarHBondContact O-N 3.29Å; A182-L187 VanDerWaalsContact CA-O 3.25Å; A182-L187 WeakPolarHBondContact CA-O 3.48Å; A182-L187 WeakPolarHBondContact CB-O 3.25Å; A182-L187 PolarHBondContact O-N 3.49Å; A182-I192 HydrophobicContact CB-CD1 3.86Å |
| 183 | M | 97.9 | Very high | 97.7 | Very high | 141 Ų | 141 | 71.2 Ų | 71.2 | 70% | 0.695 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 174.9 | -61 | -60.6 | 93.1 | 0 | 0 | 111.6 | E179 M180 L181 T185 | E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.96Å; M180-M183 PolarHBondContact O-N 3.22Å; L181-M183 VanDerWaalsContact C-N 3.33Å; M183-T185 PolarHBondContact O-N 2.68Å |
| 184 | K | 97.1 | Very high | 97.8 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.3 | -35.3 | -176.8 | -169.2 | 175.1 | -175 | -172.8 | 0 | 113.9 | E162 M180 L181 | E162-K184 HydrophobicContact CG-CD 4.48Å; E162-K184 VanDerWaalsContact OE1-CE 3.27Å; E162-K184 WeakPolarHBondContact OE1-CE 3.29Å; E162-K184 IonicContact OE1-NZ 2.89Å; E162-K184 PolarHBondContact OE1-NZ 3.36Å; E162-K184 VanDerWaalsContact OE2-CE 3.24Å; E162-K184 WeakPolarHBondContact OE2-CE 3.36Å; E162-K184 IonicContact OE2-NZ 2.64Å; E162-K184 PolarHBondContact OE2-NZ 3.02Å; M180-K184 WeakPolarHBondContact O-CB 3.27Å; M180-K184 PolarHBondContact O-N 3.46Å; L181-K184 PolarHBondContact O-N 3.05Å |
| 185 | T | 97.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -101.8 | -4.2 | -174.6 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | Q159 E162 L181 M183 L187 | Q159-T185 PolarHBondContact NE2-O 2.96Å; E162-T185 HydrophobicContact CB-CG2 3.85Å; L181-T185 WeakPolarHBondContact O-CB 3.27Å; L181-T185 PolarHBondContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 3.1Å; M183-T185 PolarHBondContact O-N 2.68Å; T185-L187 PolarHBondContact O-N 3.47Å |
| 186 | E | 97.8 | Very high | 97.8 | Very high | 177 Ų | 177 | 66.6 Ų | 66.6 | 83% | 0.827 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 37.9 | -173.2 | -59.7 | 179.3 | -162.9 | 0 | 0 | 112.8 | A182 | A182-E186 WeakPolarHBondContact O-CA 3.31Å; A182-E186 PolarHBondContact O-N 3.29Å |
| 187 | L | 96.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | trans | -113.1 | 143.2 | 178.4 | -67.5 | 170.6 | 0 | 0 | 0 | 110.1 | T153 F155 Q159 L163 A182 T185 E189 I192 | T153-L187 HydrophobicContact CG2-CD2 4.47Å; F155-L187 HydrophobicContact CD1-CD1 3.58Å; F155-L187 HydrophobicContact CD1-CD2 4.02Å; F155-L187 HydrophobicContact CD1-CG 4.47Å; F155-L187 HydrophobicContact CE1-CD1 3.65Å; F155-L187 HydrophobicContact CE1-CD2 4.04Å; F155-L187 HydrophobicContact CE1-CG 4.47Å; Q159-L187 HydrophobicContact CB-CD1 4.14Å; Q159-L187 HydrophobicContact CG-CD1 4.14Å; Q159-L187 HydrophobicContact CG-CG 4.48Å; L163-L187 HydrophobicContact CD1-CD1 4.26Å; A182-L187 VanDerWaalsContact CA-O 3.25Å; A182-L187 WeakPolarHBondContact CA-O 3.48Å; A182-L187 WeakPolarHBondContact CB-O 3.25Å; A182-L187 PolarHBondContact O-N 3.49Å; T185-L187 PolarHBondContact O-N 3.47Å; L187-E189 PolarHBondContact O-N 2.89Å; L187-I192 HydrophobicContact CB-CD1 4.39Å; L187-I192 HydrophobicContact CB-CG1 4.21Å | ||
| 188 | P | 97.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | trans | -59.2 | 140.8 | 170.6 | -20.5 | 30.6 | 0 | 0 | 0 | 111 | D190 R191 I192 | P188-D190 PolarHBondContact O-N 3.45Å; P188-D190 VanDerWaalsContact O-N 3.16Å; P188-R191 HydrophobicContact CB-CG 4.13Å; P188-R191 HydrophobicContact CG-CG 4.08Å; P188-R191 WeakPolarHBondContact O-CA 3.34Å; P188-R191 WeakPolarHBondContact O-CB 3.22Å; P188-R191 PolarHBondContact O-N 3.36Å; P188-I192 PolarHBondContact O-N 3.05Å | ||
| 189 | E | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 66 Ų | 66 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.5 | -40.9 | -179.7 | -165.7 | -145.1 | 157.6 | 0 | 0 | 111.7 | R178 L187 R191 I192 Q193 | R178-E189 HydrophobicContact CB-CG 3.71Å; R178-E189 IonicContact CZ-OE1 3.44Å; R178-E189 IonicContact NE-OE1 2.86Å; R178-E189 PolarHBondContact NE-OE1 3.49Å; R178-E189 IonicContact NH2-OE1 3.11Å; R178-E189 PolarHBondContact NH2-OE1 2.91Å; R178-E189 VanDerWaalsContact NH2-OE1 3.11Å; L187-E189 PolarHBondContact O-N 2.89Å; E189-R191 PolarHBondContact O-N 3.36Å; E189-R191 VanDerWaalsContact O-N 3.16Å; E189-I192 CarbonylContact O-C 3.57Å; E189-I192 WeakPolarHBondContact O-CA 3.46Å; E189-I192 WeakPolarHBondContact O-CB 3.49Å; E189-I192 PolarHBondContact O-N 2.78Å; E189-Q193 PolarHBondContact O-N 2.91Å |
| 190 | D | 97.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 63.5 Ų | 63.5 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -52.4 | -37.9 | 174.5 | -77.1 | -8.3 | 0 | 0 | 0 | 113.2 | P188 V194 | P188-D190 PolarHBondContact O-N 3.45Å; P188-D190 VanDerWaalsContact O-N 3.16Å; D190-V194 WeakPolarHBondContact O-CG2 3.35Å; D190-V194 PolarHBondContact O-N 2.85Å |
| 191 | R | 97.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 178.9 | -59.8 | -59.8 | 167.2 | 176 | -12 | 111.2 | T153 F155 P188 E189 W195 | T153-R191 VanDerWaalsContact OG1-CD 3.31Å; T153-R191 WeakPolarHBondContact OG1-CD 3.31Å; T153-R191 PolarHBondContact OG1-NE 2.82Å; T153-R191 PolarHBondContact OG1-NH1 3.35Å; F155-R191 HydrophobicContact CE1-CB 4.41Å; P188-R191 HydrophobicContact CB-CG 4.13Å; P188-R191 HydrophobicContact CG-CG 4.08Å; P188-R191 WeakPolarHBondContact O-CA 3.34Å; P188-R191 WeakPolarHBondContact O-CB 3.22Å; P188-R191 PolarHBondContact O-N 3.36Å; E189-R191 PolarHBondContact O-N 3.36Å; E189-R191 VanDerWaalsContact O-N 3.16Å; R191-W195 VanDerWaalsContact O-CB 3.27Å; R191-W195 WeakPolarHBondContact O-CB 3.5Å; R191-W195 PolarHBondContact O-N 3.45Å |
| 192 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -47.3 | 174.5 | -60.9 | 180 | 0 | 0 | 0 | 109.6 | L163 R178 L181 A182 L187 P188 E189 V194 W195 F196 | L163-I192 HydrophobicContact CD2-CG1 4.16Å; L163-I192 HydrophobicContact CD2-CG2 3.92Å; R178-I192 HydrophobicContact CB-CG2 4.36Å; R178-I192 HydrophobicContact CG-CG2 4.22Å; L181-I192 VanDerWaalsContact C-CD1 3.44Å; L181-I192 HydrophobicContact CB-CD1 3.71Å; L181-I192 HydrophobicContact CB-CG2 4.46Å; L181-I192 HydrophobicContact CD1-CG2 4.31Å; A182-I192 HydrophobicContact CB-CD1 3.86Å; L187-I192 HydrophobicContact CB-CD1 4.39Å; L187-I192 HydrophobicContact CB-CG1 4.21Å; P188-I192 PolarHBondContact O-N 3.05Å; E189-I192 CarbonylContact O-C 3.57Å; E189-I192 WeakPolarHBondContact O-CA 3.46Å; E189-I192 WeakPolarHBondContact O-CB 3.49Å; E189-I192 PolarHBondContact O-N 2.78Å; I192-V194 PolarHBondContact O-N 3.08Å; I192-W195 WeakPolarHBondContact O-CB 3.37Å; I192-W195 PolarHBondContact O-N 3.18Å; I192-W195 VanDerWaalsContact O-N 3.11Å; I192-F196 HydrophobicContact CG2-CD2 3.69Å; I192-F196 HydrophobicContact CG2-CE2 3.74Å; I192-F196 WeakPolarHBondContact O-CD2 3.49Å; I192-F196 PolarHBondContact O-N 3.29Å |
| 193 | Q | 97.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.6 | -50.7 | 175.6 | 174.7 | 171.5 | -34.4 | 0 | 0 | 111.9 | E189 W195 F196 Q197 | E189-Q193 PolarHBondContact O-N 2.91Å; Q193-W195 VanDerWaalsContact C-N 3.33Å; Q193-W195 PolarHBondContact O-N 3.31Å; Q193-F196 PolarHBondContact O-N 3.37Å; Q193-Q197 WeakPolarHBondContact O-CG 3.45Å; Q193-Q197 PolarHBondContact O-N 3.35Å |
| 194 | V | 97.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 177.9 | 172 | 0 | 0 | 0 | 0 | 111.5 | D190 I192 Q197 N198 | D190-V194 WeakPolarHBondContact O-CG2 3.35Å; D190-V194 PolarHBondContact O-N 2.85Å; I192-V194 PolarHBondContact O-N 3.08Å; V194-Q197 PolarHBondContact O-N 2.99Å; V194-N198 WeakPolarHBondContact O-CB 3.42Å; V194-N198 PolarHBondContact O-N 3.04Å; V194-N198 PolarHBondContact O-ND2 3.13Å; V194-N198 VanDerWaalsContact O-ND2 3.11Å |
| 195 | W | 97.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.7 | -173.6 | 102.4 | 0 | 0 | 0 | 111.2 | F155 L163 E164 F167 R191 I192 Q193 Q197 N198 R199 | F155-W195 AromaticContact CD2-CD1 3.99Å; F155-W195 AromaticContact CE2-CD1 3.64Å; F155-W195 HydrophobicContact CZ-CB 4.4Å; F155-W195 AromaticContact CZ-CD1 4Å; L163-W195 HydrophobicContact CB-CD2 4.07Å; L163-W195 HydrophobicContact CB-CE3 3.98Å; L163-W195 HydrophobicContact CB-CH2 3.65Å; L163-W195 HydrophobicContact CB-CZ2 3.73Å; L163-W195 HydrophobicContact CB-CZ3 3.78Å; L163-W195 HydrophobicContact CD1-CD2 3.9Å; L163-W195 HydrophobicContact CD1-CE3 4.44Å; L163-W195 HydrophobicContact CD1-CG 3.92Å; L163-W195 HydrophobicContact CD2-CE3 4.44Å; L163-W195 HydrophobicContact CG-CD2 4.45Å; L163-W195 WeakPolarHBondContact O-CH2 3.48Å; L163-W195 WeakPolarHBondContact O-CZ3 3.38Å; E164-W195 HydrophobicContact CG-CH2 3.88Å; E164-W195 HydrophobicContact CG-CZ2 3.89Å; F167-W195 HydrophobicContact CB-CH2 4.32Å; F167-W195 HydrophobicContact CB-CZ3 4.17Å; F167-W195 HydrophobicContact CD2-CZ3 4.33Å; R191-W195 VanDerWaalsContact O-CB 3.27Å; R191-W195 WeakPolarHBondContact O-CB 3.5Å; R191-W195 PolarHBondContact O-N 3.45Å; I192-W195 WeakPolarHBondContact O-CB 3.37Å; I192-W195 PolarHBondContact O-N 3.18Å; I192-W195 VanDerWaalsContact O-N 3.11Å; Q193-W195 VanDerWaalsContact C-N 3.33Å; Q193-W195 PolarHBondContact O-N 3.31Å; W195-Q197 PolarHBondContact O-N 2.93Å; W195-N198 PolarHBondContact O-N 3.5Å; W195-R199 HydrophobicContact CD2-CB 4.45Å; W195-R199 HydrophobicContact CE3-CB 4Å; W195-R199 HydrophobicContact CE3-CG 4.48Å; W195-R199 HydrophobicContact CH2-CB 4.1Å; W195-R199 HydrophobicContact CH2-CG 3.72Å; W195-R199 HydrophobicContact CZ2-CG 4.35Å; W195-R199 HydrophobicContact CZ3-CB 3.8Å; W195-R199 HydrophobicContact CZ3-CG 3.8Å; W195-R199 WeakPolarHBondContact O-CB 3.4Å; W195-R199 PolarHBondContact O-N 3.25Å |
| 196 | F | 98.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.009 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 178.4 | -90.8 | -93.5 | 0 | 0 | 0 | 112.2 | L163 A166 F167 P173 L181 I192 Q193 R199 R200 | L163-F196 HydrophobicContact CD2-CE2 3.94Å; A166-F196 HydrophobicContact CB-CZ 4.2Å; F167-F196 HydrophobicContact CB-CE1 4.04Å; F167-F196 HydrophobicContact CB-CZ 4.45Å; F167-F196 AromaticContact CD2-CD1 3.75Å; F167-F196 HydrophobicContact CD2-CD1 3.75Å; F167-F196 AromaticContact CD2-CE1 3.77Å; F167-F196 HydrophobicContact CD2-CE1 3.77Å; F167-F196 HydrophobicContact CE2-CD1 4.44Å; F167-F196 HydrophobicContact CG-CE1 4.41Å; P173-F196 HydrophobicContact CB-CE1 4.46Å; P173-F196 HydrophobicContact CG-CD1 3.56Å; P173-F196 HydrophobicContact CG-CD2 4.1Å; P173-F196 HydrophobicContact CG-CE1 3.51Å; P173-F196 HydrophobicContact CG-CE2 4.06Å; P173-F196 HydrophobicContact CG-CG 3.87Å; P173-F196 HydrophobicContact CG-CZ 3.78Å; L181-F196 HydrophobicContact CD1-CE2 3.94Å; L181-F196 HydrophobicContact CD1-CZ 4.1Å; I192-F196 HydrophobicContact CG2-CD2 3.69Å; I192-F196 HydrophobicContact CG2-CE2 3.74Å; I192-F196 WeakPolarHBondContact O-CD2 3.49Å; I192-F196 PolarHBondContact O-N 3.29Å; Q193-F196 PolarHBondContact O-N 3.37Å; F196-R199 PolarHBondContact O-N 3.27Å; F196-R200 WeakPolarHBondContact O-CB 3.28Å; F196-R200 WeakPolarHBondContact O-CG 3.39Å; F196-R200 PolarHBondContact O-N 3.42Å |
| 197 | Q | 97.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.1 | -71.8 | 177.9 | 22.6 | 0 | 0 | 111.9 | Q193 V194 W195 R200 A201 | Q193-Q197 WeakPolarHBondContact O-CG 3.45Å; Q193-Q197 PolarHBondContact O-N 3.35Å; V194-Q197 PolarHBondContact O-N 2.99Å; W195-Q197 PolarHBondContact O-N 2.93Å; Q197-R200 PolarHBondContact O-N 3.21Å; Q197-A201 WeakPolarHBondContact O-CB 3.27Å; Q197-A201 PolarHBondContact O-N 3.36Å |
| 198 | N | 97.2 | Very high | 90.9 | Very high | 94 Ų | 94 | 83.8 Ų | 83.8 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 177.7 | -74 | -37.2 | 0 | 0 | 0 | 112 | V194 W195 A201 K202 | V194-N198 WeakPolarHBondContact O-CB 3.42Å; V194-N198 PolarHBondContact O-N 3.04Å; V194-N198 PolarHBondContact O-ND2 3.13Å; V194-N198 VanDerWaalsContact O-ND2 3.11Å; W195-N198 PolarHBondContact O-N 3.5Å; N198-A201 PolarHBondContact O-N 3.2Å; N198-K202 PolarHBondContact O-N 2.87Å |
| 199 | R | 97.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.3 | -171.1 | 68 | -178 | 96.8 | -1.8 | 110.8 | F167 W195 F196 A201 K202 W203 | F167-R199 HydrophobicContact CD1-CG 3.97Å; F167-R199 HydrophobicContact CD2-CB 4.1Å; F167-R199 HydrophobicContact CD2-CG 3.54Å; F167-R199 HydrophobicContact CE1-CG 3.9Å; F167-R199 HydrophobicContact CE2-CB 3.9Å; F167-R199 HydrophobicContact CE2-CG 3.47Å; F167-R199 VanDerWaalsContact CE2-CG 3.47Å; F167-R199 HydrophobicContact CG-CG 3.79Å; F167-R199 HydrophobicContact CZ-CB 4.41Å; F167-R199 HydrophobicContact CZ-CG 3.66Å; W195-R199 HydrophobicContact CD2-CB 4.45Å; W195-R199 HydrophobicContact CE3-CB 4Å; W195-R199 HydrophobicContact CE3-CG 4.48Å; W195-R199 HydrophobicContact CH2-CB 4.1Å; W195-R199 HydrophobicContact CH2-CG 3.72Å; W195-R199 HydrophobicContact CZ2-CG 4.35Å; W195-R199 HydrophobicContact CZ3-CB 3.8Å; W195-R199 HydrophobicContact CZ3-CG 3.8Å; W195-R199 WeakPolarHBondContact O-CB 3.4Å; W195-R199 PolarHBondContact O-N 3.25Å; F196-R199 PolarHBondContact O-N 3.27Å; R199-A201 PolarHBondContact O-N 3.21Å; R199-K202 PolarHBondContact O-N 3.32Å; R199-W203 WeakPolarHBondContact O-CB 3.46Å; R199-W203 PolarHBondContact O-N 3.17Å |
| 200 | R | 96.7 | Very high | 86.3 | Confident | 41 Ų | 41 | 90.7 Ų | 90.7 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 173.1 | -73.4 | -163.7 | -62.9 | -87.4 | 3.2 | 112.8 | F167 H171 F196 Q197 W203 R204 | F167-R200 HydrophobicContact CE2-CG 3.75Å; F167-R200 HydrophobicContact CZ-CG 4.24Å; H171-R200 VanDerWaalsContact O-CD 3.29Å; H171-R200 WeakPolarHBondContact O-CD 3.4Å; H171-R200 PolarHBondContact O-NH1 3.43Å; F196-R200 WeakPolarHBondContact O-CB 3.28Å; F196-R200 WeakPolarHBondContact O-CG 3.39Å; F196-R200 PolarHBondContact O-N 3.42Å; Q197-R200 PolarHBondContact O-N 3.21Å; R200-W203 PolarHBondContact O-N 3.49Å; R200-R204 WeakPolarHBondContact O-CB 2.87Å; R200-R204 WeakPolarHBondContact O-CG 3.43Å; R200-R204 PolarHBondContact O-N 2.87Å |
| 201 | A | 94.6 | Very high | 83.9 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q197 N198 R199 K205 | Q197-A201 WeakPolarHBondContact O-CB 3.27Å; Q197-A201 PolarHBondContact O-N 3.36Å; N198-A201 PolarHBondContact O-N 3.2Å; R199-A201 PolarHBondContact O-N 3.21Å; A201-K205 PolarHBondContact O-N 3.14Å; A201-K205 VanDerWaalsContact O-N 3.08Å |
| 202 | K | 92.4 | Very high | 81.6 | Confident | 145 Ų | 145 | 93.1 Ų | 93.1 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 173.8 | -71.8 | -178.3 | 179.2 | -177.7 | 0 | 112.3 | N198 R199 K205 R206 | N198-K202 PolarHBondContact O-N 2.87Å; R199-K202 PolarHBondContact O-N 3.32Å; K202-K205 CarbonylContact O-C 3.16Å; K202-K205 PolarHBondContact O-N 2.86Å; K202-K205 VanDerWaalsContact O-N 3.12Å; K202-R206 PolarHBondContact O-N 3Å |
| 203 | W | 92.1 | Very high | 79.2 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 26% | 0.258 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 177.9 | 176.6 | 81.1 | 0 | 0 | 0 | 111.1 | F167 R199 R200 K205 R206 E207 | F167-W203 HydrophobicContact CE1-CB 4.43Å; F167-W203 HydrophobicContact CE1-CG 4.39Å; F167-W203 HydrophobicContact CZ-CB 4.04Å; F167-W203 HydrophobicContact CZ-CG 4.22Å; R199-W203 WeakPolarHBondContact O-CB 3.46Å; R199-W203 PolarHBondContact O-N 3.17Å; R200-W203 PolarHBondContact O-N 3.49Å; W203-K205 PolarHBondContact O-N 2.93Å; W203-R206 PolarHBondContact O-N 2.86Å; W203-R206 VanDerWaalsContact O-N 3.07Å; W203-E207 WeakPolarHBondContact CZ2-OE2 3.41Å; W203-E207 PolarHBondContact NE1-OE1 3.37Å; W203-E207 PolarHBondContact NE1-OE2 2.99Å; W203-E207 PolarHBondContact O-N 3.31Å |
| 204 | R | 90.5 | Very high | 77 | Confident | 117 Ų | 117 | 93.9 Ų | 93.9 | 44% | 0.442 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 173.2 | -73.9 | -172.1 | -75.8 | 103.9 | -5.9 | 112.7 | R200 K208 | R200-R204 WeakPolarHBondContact O-CB 2.87Å; R200-R204 WeakPolarHBondContact O-CG 3.43Å; R200-R204 PolarHBondContact O-N 2.87Å; R204-K208 VanDerWaalsContact O-CB 3.31Å; R204-K208 WeakPolarHBondContact O-CB 3.21Å; R204-K208 WeakPolarHBondContact O-CD 3.14Å; R204-K208 PolarHBondContact O-N 3.35Å |
| 205 | K | 81.9 | Confident | 74.7 | Confident | 176 Ų | 176 | 94.6 Ų | 94.6 | 77% | 0.765 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75.3 | -27.2 | 177.3 | -170.6 | 174.4 | -179 | 179.1 | 0 | 113.4 | A201 K202 W203 | A201-K205 PolarHBondContact O-N 3.14Å; A201-K205 VanDerWaalsContact O-N 3.08Å; K202-K205 CarbonylContact O-C 3.16Å; K202-K205 PolarHBondContact O-N 2.86Å; K202-K205 VanDerWaalsContact O-N 3.12Å; W203-K205 PolarHBondContact O-N 2.93Å |
| 206 | R | 76.2 | Confident | 72.2 | Confident | 177 Ų | 177 | 100.7 Ų | 100.7 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -85.3 | -43.9 | 179.5 | -172.4 | -172.6 | -71.7 | 163 | -7.2 | 111.7 | K202 W203 C209 | K202-R206 PolarHBondContact O-N 3Å; W203-R206 PolarHBondContact O-N 2.86Å; W203-R206 VanDerWaalsContact O-N 3.07Å; R206-C209 PolarHBondContact O-N 3.28Å |
| 207 | E | 62.6 | Low | 70.2 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -81.1 | -30.7 | -177.4 | -64.7 | -155.9 | 167 | 0 | 0 | 113.1 | W203 C209 | W203-E207 WeakPolarHBondContact CZ2-OE2 3.41Å; W203-E207 PolarHBondContact NE1-OE1 3.37Å; W203-E207 PolarHBondContact NE1-OE2 2.99Å; W203-E207 PolarHBondContact O-N 3.31Å; E207-C209 PolarHBondContact O-N 2.93Å |
| 208 | K | 50.3 | Low | 67.8 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | trans | -83.7 | 81.6 | 153.3 | -64.7 | 110.9 | 175 | -178 | 0 | 107.4 | R204 W210 | R204-K208 VanDerWaalsContact O-CB 3.31Å; R204-K208 WeakPolarHBondContact O-CB 3.21Å; R204-K208 WeakPolarHBondContact O-CD 3.14Å; R204-K208 PolarHBondContact O-N 3.35Å; K208-W210 PolarHBondContact O-N 3.08Å | ||
| 209 | C | 49.3 | Very low | 65.7 | Low | 113 Ų | 113 | 103 Ų | 103 | 76% | 0.764 | 50% | 0.498 | S | S | * | . | trans | -49.2 | 93 | 130.9 | -71 | 0 | 0 | 0 | 0 | 104.9 | R206 E207 G211 | R206-C209 PolarHBondContact O-N 3.28Å; E207-C209 PolarHBondContact O-N 2.93Å; C209-G211 PolarHBondContact O-N 3.39Å | ||
| 210 | W | 47.7 | Very low | 64.2 | Low | 164 Ų | 164 | 103.3 Ų | 103.3 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | trans | -43.6 | 113 | 160.4 | -141.6 | -62.6 | 0 | 0 | 0 | 103.7 | K208 R212 S214 | K208-W210 PolarHBondContact O-N 3.08Å; W210-R212 VanDerWaalsContact C-N 3.26Å; W210-R212 CarbonylContact C-O 3.59Å; W210-R212 CarbonylContact O-C 3.4Å; W210-R212 WeakPolarHBondContact O-CA 3.25Å; W210-R212 PolarHBondContact O-N 2.83Å; W210-R212 VanDerWaalsContact O-O 3.05Å; W210-S214 VanDerWaalsContact CD2-CB 3.49Å; W210-S214 VanDerWaalsContact CE3-CB 3.46Å; W210-S214 VanDerWaalsContact CH2-OG 3.27Å; W210-S214 WeakPolarHBondContact CH2-OG 3.45Å; W210-S214 WeakPolarHBondContact CZ2-OG 3.38Å; W210-S214 WeakPolarHBondContact CZ3-OG 3.29Å | ||
| 211 | G | 48.4 | Very low | 62.6 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 72% | 0.722 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -58.7 | 88.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C209 | C209-G211 PolarHBondContact O-N 3.39Š|
| 212 | R | 48.3 | Very low | 60.9 | Low | 198 Ų | 198 | 108 Ų | 108 | 75% | 0.747 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 68 | 133.8 | -155.2 | -58.5 | 172.3 | -84.7 | -162.7 | -4.4 | 111.7 | W210 | W210-R212 VanDerWaalsContact C-N 3.26Å; W210-R212 CarbonylContact C-O 3.59Å; W210-R212 CarbonylContact O-C 3.4Å; W210-R212 WeakPolarHBondContact O-CA 3.25Å; W210-R212 PolarHBondContact O-N 2.83Å; W210-R212 VanDerWaalsContact O-O 3.05Å |
| 213 | S | 48.3 | Very low | 59.7 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | trans | -7.1 | 128 | -179.2 | -63.5 | 0 | 0 | 0 | 0 | 117.4 | V215 | S213-V215 PolarHBondContact O-N 3.5Å; S213-V215 VanDerWaalsContact O-N 3.11Å | ||
| 214 | S | 50.8 | Low | 58.4 | Low | 19 Ų | 19 | 100.4 Ų | 100.4 | 13% | 0.133 | 51% | 0.512 | C | S | . | . | trans | -53.1 | 125.1 | 160.9 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | W210 M216 A217 E218 | W210-S214 VanDerWaalsContact CD2-CB 3.49Å; W210-S214 VanDerWaalsContact CE3-CB 3.46Å; W210-S214 VanDerWaalsContact CH2-OG 3.27Å; W210-S214 WeakPolarHBondContact CH2-OG 3.45Å; W210-S214 WeakPolarHBondContact CZ2-OG 3.38Å; W210-S214 WeakPolarHBondContact CZ3-OG 3.29Å; S214-M216 PolarHBondContact O-N 3.47Å; S214-A217 WeakPolarHBondContact O-CA 3.34Å; S214-A217 WeakPolarHBondContact O-CB 3.42Å; S214-A217 PolarHBondContact O-N 3.36Å; S214-E218 PolarHBondContact O-N 3.19Å | ||
| 215 | V | 49.4 | Very low | 57.3 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -44.9 | -31 | 173.3 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | S213 E218 Y219 | S213-V215 PolarHBondContact O-N 3.5Å; S213-V215 VanDerWaalsContact O-N 3.11Å; V215-E218 WeakPolarHBondContact O-CB 3.44Å; V215-E218 PolarHBondContact O-N 3.17Å; V215-Y219 HydrophobicContact CG1-CD2 3.9Å; V215-Y219 HydrophobicContact CG1-CE2 3.25Å; V215-Y219 WeakPolarHBondContact O-CD2 3.42Å; V215-Y219 PolarHBondContact O-N 2.93Å; V215-Y219 VanDerWaalsContact O-N 3.09Å |
| 216 | M | 46.5 | Very low | 56.5 | Low | 153 Ų | 153 | 92 Ų | 92 | 75% | 0.754 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.2 | -28.8 | 176.4 | -141.7 | 138.7 | 64 | 0 | 0 | 114.6 | S214 G220 | S214-M216 PolarHBondContact O-N 3.47Å; M216-G220 PolarHBondContact O-N 2.75Å |
| 217 | A | 55.3 | Low | 55.7 | Low | 55 Ų | 55 | 92.3 Ų | 92.3 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.3 | -29.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S214 L221 | S214-A217 WeakPolarHBondContact O-CA 3.34Å; S214-A217 WeakPolarHBondContact O-CB 3.42Å; S214-A217 PolarHBondContact O-N 3.36Å; A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 2.75Å |
| 218 | E | 48.5 | Very low | 55.8 | Low | 40 Ų | 40 | 92.1 Ų | 92.1 | 19% | 0.187 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 169.9 | -101.3 | -174.9 | 176.4 | 0 | 0 | 111.8 | S214 V215 G220 L221 Y222 | S214-E218 PolarHBondContact O-N 3.19Å; V215-E218 WeakPolarHBondContact O-CB 3.44Å; V215-E218 PolarHBondContact O-N 3.17Å; E218-G220 VanDerWaalsContact C-N 3.34Å; E218-G220 PolarHBondContact O-N 3.24Å; E218-L221 PolarHBondContact O-N 2.92Å; E218-Y222 WeakPolarHBondContact O-CB 3.43Å; E218-Y222 PolarHBondContact O-N 3.12Å |
| 219 | Y | 51.7 | Low | 56 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 55% | 0.549 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 177 | -64.6 | -60.1 | 0 | 0 | 0 | 113.1 | V215 G223 | V215-Y219 HydrophobicContact CG1-CD2 3.9Å; V215-Y219 HydrophobicContact CG1-CE2 3.25Å; V215-Y219 WeakPolarHBondContact O-CD2 3.42Å; V215-Y219 PolarHBondContact O-N 2.93Å; V215-Y219 VanDerWaalsContact O-N 3.09Å; Y219-G223 PolarHBondContact O-N 3.07Å |
| 220 | G | 67.3 | Low | 56.7 | Low | 46 Ų | 46 | 90.4 Ų | 90.4 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M216 E218 A224 | M216-G220 PolarHBondContact O-N 2.75Å; E218-G220 VanDerWaalsContact C-N 3.34Å; E218-G220 PolarHBondContact O-N 3.24Å; G220-A224 PolarHBondContact O-N 2.9Å |
| 221 | L | 62.8 | Low | 57.2 | Low | 109 Ų | 109 | 87.9 Ų | 87.9 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.6 | -43.2 | 175.4 | -176.5 | 63.5 | 0 | 0 | 0 | 111.1 | A217 E218 A224 M225 | A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 2.75Å; E218-L221 PolarHBondContact O-N 2.92Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 WeakPolarHBondContact O-CB 3.24Å; L221-A224 PolarHBondContact O-N 3.49Å; L221-A224 VanDerWaalsContact O-N 3.09Å; L221-M225 HydrophobicContact CG-SD 4.17Å; L221-M225 WeakPolarHBondContact O-CG 3.21Å; L221-M225 PolarHBondContact O-N 2.89Å |
| 222 | Y | 58.4 | Low | 57.6 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 28% | 0.278 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 171.4 | 174.5 | -104.4 | 0 | 0 | 0 | 111.1 | E218 A224 M225 V226 W251 L252 M255 | E218-Y222 WeakPolarHBondContact O-CB 3.43Å; E218-Y222 PolarHBondContact O-N 3.12Å; Y222-A224 PolarHBondContact O-N 2.91Å; Y222-M225 PolarHBondContact O-N 3.47Å; Y222-V226 HydrophobicContact CD1-CG2 4.24Å; Y222-V226 HydrophobicContact CD2-CG2 3.78Å; Y222-V226 HydrophobicContact CE1-CG2 3.92Å; Y222-V226 HydrophobicContact CE2-CG2 3.42Å; Y222-V226 VanDerWaalsContact CE2-CG2 3.42Å; Y222-V226 HydrophobicContact CG-CG2 4.17Å; Y222-V226 VanDerWaalsContact CZ-CG2 3.5Å; Y222-V226 WeakPolarHBondContact O-CB 3.31Å; Y222-V226 VanDerWaalsContact O-CG2 3.26Å; Y222-V226 WeakPolarHBondContact O-CG2 3.42Å; Y222-V226 PolarHBondContact O-N 2.94Å; Y222-W251 HydrophobicContact CD1-CH2 4.32Å; Y222-W251 AromaticContact CD2-CH2 3.89Å; Y222-W251 HydrophobicContact CD2-CH2 3.89Å; Y222-W251 HydrophobicContact CD2-CZ3 4.45Å; Y222-W251 HydrophobicContact CE1-CH2 4.46Å; Y222-W251 HydrophobicContact CE2-CH2 4.04Å; Y222-W251 HydrophobicContact CE2-CZ3 4.14Å; Y222-W251 HydrophobicContact CG-CH2 4.04Å; Y222-L252 HydrophobicContact CD2-CD2 4.33Å; Y222-L252 HydrophobicContact CE2-CD2 4.49Å; Y222-M255 VanDerWaalsContact OH-CE 3.24Å; Y222-M255 WeakPolarHBondContact OH-CE 3.12Å |
| 223 | G | 67 | Low | 58.3 | Low | 24 Ų | 24 | 80.5 Ų | 80.5 | 25% | 0.247 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.6 | -27.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y219 R227 | Y219-G223 PolarHBondContact O-N 3.07Å; G223-R227 WeakPolarHBondContact O-CB 3.27Å; G223-R227 WeakPolarHBondContact O-CG 3.45Å; G223-R227 PolarHBondContact O-NE 3Å |
| 224 | A | 65.7 | Low | 58.6 | Low | 29 Ų | 29 | 84 Ų | 84 | 24% | 0.24 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -78.7 | -44.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G220 L221 Y222 R227 H228 | G220-A224 PolarHBondContact O-N 2.9Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 WeakPolarHBondContact O-CB 3.24Å; L221-A224 PolarHBondContact O-N 3.49Å; L221-A224 VanDerWaalsContact O-N 3.09Å; Y222-A224 PolarHBondContact O-N 2.91Å; A224-R227 PolarHBondContact O-N 3.42Å; A224-H228 WeakPolarHBondContact O-CB 3.35Å; A224-H228 PolarHBondContact O-CD2 3Å; A224-H228 PolarHBondContact O-N 2.96Å |
| 225 | M | 67 | Low | 58.9 | Low | 33 Ų | 33 | 87.2 Ų | 87.2 | 16% | 0.163 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 179.4 | -72.5 | 176.3 | 54.5 | 0 | 0 | 112.7 | L221 Y222 H228 S229 I230 L232 | L221-M225 HydrophobicContact CG-SD 4.17Å; L221-M225 WeakPolarHBondContact O-CG 3.21Å; L221-M225 PolarHBondContact O-N 2.89Å; Y222-M225 PolarHBondContact O-N 3.47Å; M225-H228 CarbonylContact O-C 3.55Å; M225-H228 PolarHBondContact O-N 3.37Å; M225-S229 WeakPolarHBondContact O-CA 3.37Å; M225-S229 PolarHBondContact O-N 3.18Å; M225-I230 HydrophobicContact CG-CB 4.44Å; M225-I230 PolarHBondContact O-N 3.2Å; M225-I230 VanDerWaalsContact O-N 3.15Å; M225-L232 HydrophobicContact CE-CB 4.42Å; M225-L232 HydrophobicContact CE-CD2 3.49Å; M225-L232 VanDerWaalsContact CE-CD2 3.49Å; M225-L232 HydrophobicContact CE-CG 3.77Å |
| 226 | V | 64.9 | Low | 59.3 | Low | 83 Ų | 83 | 85.6 Ų | 85.6 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | Y222 | Y222-V226 HydrophobicContact CD1-CG2 4.24Å; Y222-V226 HydrophobicContact CD2-CG2 3.78Å; Y222-V226 HydrophobicContact CE1-CG2 3.92Å; Y222-V226 HydrophobicContact CE2-CG2 3.42Å; Y222-V226 VanDerWaalsContact CE2-CG2 3.42Å; Y222-V226 HydrophobicContact CG-CG2 4.17Å; Y222-V226 VanDerWaalsContact CZ-CG2 3.5Å; Y222-V226 WeakPolarHBondContact O-CB 3.31Å; Y222-V226 VanDerWaalsContact O-CG2 3.26Å; Y222-V226 WeakPolarHBondContact O-CG2 3.42Å; Y222-V226 PolarHBondContact O-N 2.94Å |
| 227 | R | 60.2 | Low | 60 | Low | 184 Ų | 184 | 81 Ų | 81 | 69% | 0.694 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -74 | -27.4 | 177.7 | -74.8 | -173.9 | -61.9 | 147.3 | 3.8 | 113.5 | G223 A224 | G223-R227 WeakPolarHBondContact O-CB 3.27Å; G223-R227 WeakPolarHBondContact O-CG 3.45Å; G223-R227 PolarHBondContact O-NE 3Å; A224-R227 PolarHBondContact O-N 3.42Å |
| 228 | H | 64.1 | Low | 60.1 | Low | 124 Ų | 124 | 85.9 Ų | 85.9 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -109.4 | 8.3 | -177.2 | -64.9 | -62.5 | 0 | 0 | 0 | 113.5 | A224 M225 I230 | A224-H228 WeakPolarHBondContact O-CB 3.35Å; A224-H228 PolarHBondContact O-CD2 3Å; A224-H228 PolarHBondContact O-N 2.96Å; M225-H228 CarbonylContact O-C 3.55Å; M225-H228 PolarHBondContact O-N 3.37Å; H228-I230 HydrophobicContact CB-CD1 3.87Å; H228-I230 HydrophobicContact CB-CG1 3.81Å; H228-I230 PolarHBondContact O-N 2.96Å; H228-I230 VanDerWaalsContact O-N 3.12Å |
| 229 | S | 55.1 | Low | 60.4 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 76% | 0.762 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 40.7 | -179.2 | -55 | 0 | 0 | 0 | 0 | 113.9 | M225 | M225-S229 WeakPolarHBondContact O-CA 3.37Å; M225-S229 PolarHBondContact O-N 3.18Å |
| 230 | I | 64.3 | Low | 60.6 | Low | 94 Ų | 94 | 80.7 Ų | 80.7 | 48% | 0.482 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 126.5 | -177 | -58 | 174.4 | 0 | 0 | 0 | 108.4 | M225 H228 | M225-I230 HydrophobicContact CG-CB 4.44Å; M225-I230 PolarHBondContact O-N 3.2Å; M225-I230 VanDerWaalsContact O-N 3.15Å; H228-I230 HydrophobicContact CB-CD1 3.87Å; H228-I230 HydrophobicContact CB-CG1 3.81Å; H228-I230 PolarHBondContact O-N 2.96Å; H228-I230 VanDerWaalsContact O-N 3.12Å |
| 231 | P | 57.3 | Low | 60 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 71% | 0.714 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 141 | -179.8 | 23.8 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 232 | L | 56.3 | Low | 59.7 | Low | 48 Ų | 48 | 88.7 Ų | 88.7 | 25% | 0.251 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 136.7 | 177.9 | -77.6 | 150.4 | 0 | 0 | 0 | 109.9 | M225 I236 L252 | M225-L232 HydrophobicContact CE-CB 4.42Å; M225-L232 HydrophobicContact CE-CD2 3.49Å; M225-L232 VanDerWaalsContact CE-CD2 3.49Å; M225-L232 HydrophobicContact CE-CG 3.77Å; L232-I236 HydrophobicContact CD2-CD1 4.32Å; L232-L252 HydrophobicContact CD2-CD2 3.86Å |
| 233 | P | 63.1 | Low | 59.7 | Low | 66 Ų | 66 | 87 Ų | 87 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 138.8 | 177.4 | 22 | -28.8 | 0 | 0 | 0 | 111.5 | S235 I236 | P233-S235 PolarHBondContact O-N 3.33Å; P233-I236 HydrophobicContact CG-CD1 4.05Å; P233-I236 HydrophobicContact CG-CG1 4.39Å; P233-I236 PolarHBondContact O-N 3.11Å |
| 234 | E | 54.3 | Low | 59.2 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.6 | -22.7 | -177.6 | -74.3 | -68 | 166.9 | 0 | 0 | 114.5 | I236 L237 K238 | E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 3.32Å; E234-L237 PolarHBondContact O-N 3.42Å; E234-K238 WeakPolarHBondContact O-CB 3.15Å; E234-K238 PolarHBondContact O-N 3.2Å |
| 235 | S | 57.2 | Low | 58.6 | Low | 87 Ų | 87 | 98.8 Ų | 98.8 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -31.5 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | P233 S239 | P233-S235 PolarHBondContact O-N 3.33Å; S235-S239 WeakPolarHBondContact O-CB 3.38Å; S235-S239 PolarHBondContact O-N 3.05Å |
| 236 | I | 59.2 | Low | 57.9 | Low | 49 Ų | 49 | 104 Ų | 104 | 25% | 0.251 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -80.7 | -37.7 | 177.2 | -59.3 | 178.3 | 0 | 0 | 0 | 110.4 | L232 P233 E234 A240 | L232-I236 HydrophobicContact CD2-CD1 4.32Å; P233-I236 HydrophobicContact CG-CD1 4.05Å; P233-I236 HydrophobicContact CG-CG1 4.39Å; P233-I236 PolarHBondContact O-N 3.11Å; E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 3.32Å; I236-A240 PolarHBondContact O-N 2.93Å |
| 237 | L | 60.3 | Low | 57.4 | Low | 56 Ų | 56 | 100.4 Ų | 100.4 | 29% | 0.293 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 177 | -66.8 | 172.8 | 0 | 0 | 0 | 111.8 | E234 A240 H256 | E234-L237 PolarHBondContact O-N 3.42Å; L237-A240 WeakPolarHBondContact O-CB 2.96Å; L237-H256 WeakPolarHBondContact CD2-NE2 3.41Å |
| 238 | K | 57.3 | Low | 57.3 | Low | 157 Ų | 157 | 95.2 Ų | 95.2 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.8 | -36.8 | -180 | -146.7 | 170.6 | -169.3 | 178.4 | 0 | 112.5 | E234 A240 K241 | E234-K238 WeakPolarHBondContact O-CB 3.15Å; E234-K238 PolarHBondContact O-N 3.2Å; K238-A240 PolarHBondContact O-N 2.67Å; K238-K241 VanDerWaalsContact O-CB 3.24Å; K238-K241 WeakPolarHBondContact O-CB 3.36Å; K238-K241 PolarHBondContact O-N 3.09Å |
| 239 | S | 54.6 | Low | 57.1 | Low | 36 Ų | 36 | 89.6 Ų | 89.6 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -26.8 | 175.7 | 176 | 0 | 0 | 0 | 0 | 113.1 | S235 K241 D242 S247 | S235-S239 WeakPolarHBondContact O-CB 3.38Å; S235-S239 PolarHBondContact O-N 3.05Å; S239-K241 PolarHBondContact O-N 3.34Å; S239-D242 PolarHBondContact O-N 3.05Å; S239-S247 PolarHBondContact OG-OG 3.11Å |
| 240 | A | 57.4 | Low | 57.2 | Low | 36 Ų | 36 | 87.6 Ų | 87.6 | 30% | 0.298 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I236 L237 K238 L253 | I236-A240 PolarHBondContact O-N 2.93Å; L237-A240 WeakPolarHBondContact O-CB 2.96Å; K238-A240 PolarHBondContact O-N 2.67Å; A240-L253 HydrophobicContact CB-CD1 3.5Å; A240-L253 HydrophobicContact CB-CD2 3.46Å; A240-L253 VanDerWaalsContact CB-CD2 3.46Å; A240-L253 HydrophobicContact CB-CG 4.1Å |
| 241 | K | 54.1 | Low | 57 | Low | 183 Ų | 183 | 87.7 Ų | 87.7 | 80% | 0.796 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -22.9 | -176.7 | -157.8 | 170.7 | -176.7 | 176.7 | 0 | 112.8 | K238 S239 | K238-K241 VanDerWaalsContact O-CB 3.24Å; K238-K241 WeakPolarHBondContact O-CB 3.36Å; K238-K241 PolarHBondContact O-N 3.09Å; S239-K241 PolarHBondContact O-N 3.34Å |
| 242 | D | 56.9 | Low | 57.2 | Low | 140 Ų | 140 | 83.8 Ų | 83.8 | 75% | 0.749 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -95.3 | 4.1 | -176.9 | -64.9 | -29.3 | 0 | 0 | 0 | 113.8 | S239 | S239-D242 PolarHBondContact O-N 3.05Š|
| 243 | G | 57.5 | Low | 57.5 | Low | 34 Ų | 34 | 82.6 Ų | 82.6 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | trans | 122.7 | 129.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M245 D246 | G243-M245 PolarHBondContact O-N 2.72Å; G243-D246 PolarHBondContact O-N 3.28Å | ||
| 244 | I | 55.6 | Low | 57.6 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.6 | -176 | -71.2 | 162.2 | 0 | 0 | 0 | 112.8 | ||
| 245 | M | 54.2 | Low | 57.9 | Low | 180 Ų | 180 | 79.2 Ų | 79.2 | 89% | 0.887 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -20.5 | -173.8 | -77 | 173.5 | 55.3 | 0 | 0 | 115.2 | G243 | G243-M245 PolarHBondContact O-N 2.72Š|
| 246 | D | 51.6 | Low | 58.1 | Low | 142 Ų | 142 | 78.1 Ų | 78.1 | 76% | 0.759 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -105.4 | 3 | 177.7 | -70.5 | -47.2 | 0 | 0 | 0 | 113.2 | G243 | G243-D246 PolarHBondContact O-N 3.28Š|
| 247 | S | 55.5 | Low | 58.4 | Low | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | trans | -78.8 | 133.5 | -175.7 | -141.1 | 0 | 0 | 0 | 0 | 111.5 | S239 A249 P250 | S239-S247 PolarHBondContact OG-OG 3.11Å; S247-A249 PolarHBondContact O-N 3.44Å; S247-P250 VanDerWaalsContact O-CD 3.3Å; S247-P250 WeakPolarHBondContact O-CD 3.41Å; S247-P250 WeakPolarHBondContact O-CG 3.34Å | ||
| 248 | C | 57.5 | Low | 58.4 | Low | 75 Ų | 75 | 86.9 Ų | 86.9 | 51% | 0.507 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -61.6 | -17.6 | -173.2 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 249 | A | 60 | Low | 58.7 | Low | 6 Ų | 6 | 83 Ų | 83 | 5% | 0.05 | 45% | 0.447 | C | S | . | . | trans | -148.8 | 80.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S247 W251 L252 | S247-A249 PolarHBondContact O-N 3.44Å; A249-W251 PolarHBondContact O-N 2.87Å; A249-L252 HydrophobicContact CB-CB 4.02Å; A249-L252 HydrophobicContact CB-CD1 3.54Å; A249-L252 HydrophobicContact CB-CG 4.41Å; A249-L252 PolarHBondContact O-N 2.81Å; A249-L252 VanDerWaalsContact O-N 3.15Å | ||
| 250 | P | 58.2 | Low | 59 | Low | 66 Ų | 66 | 86 Ų | 86 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.9 | -28.9 | -175.4 | -22.9 | 34.6 | 0 | 0 | 0 | 113.6 | S247 G254 | S247-P250 VanDerWaalsContact O-CD 3.3Å; S247-P250 WeakPolarHBondContact O-CD 3.41Å; S247-P250 WeakPolarHBondContact O-CG 3.34Å; P250-G254 PolarHBondContact O-N 3.44Å |
| 251 | W | 59.2 | Low | 59 | Low | 97 Ų | 97 | 88.9 Ų | 88.9 | 37% | 0.367 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.2 | -33 | 178.8 | 67.5 | -91.1 | 0 | 0 | 0 | 113.2 | Y222 A249 L253 G254 M255 | Y222-W251 HydrophobicContact CD1-CH2 4.32Å; Y222-W251 AromaticContact CD2-CH2 3.89Å; Y222-W251 HydrophobicContact CD2-CH2 3.89Å; Y222-W251 HydrophobicContact CD2-CZ3 4.45Å; Y222-W251 HydrophobicContact CE1-CH2 4.46Å; Y222-W251 HydrophobicContact CE2-CH2 4.04Å; Y222-W251 HydrophobicContact CE2-CZ3 4.14Å; Y222-W251 HydrophobicContact CG-CH2 4.04Å; A249-W251 PolarHBondContact O-N 2.87Å; W251-L253 VanDerWaalsContact C-N 3.35Å; W251-G254 PolarHBondContact O-N 3.41Å; W251-M255 HydrophobicContact CE3-SD 4.39Å; W251-M255 HydrophobicContact CZ3-SD 4.21Å; W251-M255 PolarHBondContact O-N 3.09Å |
| 252 | L | 60.8 | Low | 59.2 | Low | 27 Ų | 27 | 83 Ų | 83 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 178 | -101.7 | 133.9 | 0 | 0 | 0 | 111.4 | Y222 L232 A249 M255 H256 | Y222-L252 HydrophobicContact CD2-CD2 4.33Å; Y222-L252 HydrophobicContact CE2-CD2 4.49Å; L232-L252 HydrophobicContact CD2-CD2 3.86Å; A249-L252 HydrophobicContact CB-CB 4.02Å; A249-L252 HydrophobicContact CB-CD1 3.54Å; A249-L252 HydrophobicContact CB-CG 4.41Å; A249-L252 PolarHBondContact O-N 2.81Å; A249-L252 VanDerWaalsContact O-N 3.15Å; L252-M255 PolarHBondContact O-N 3.01Å; L252-H256 WeakPolarHBondContact O-CB 3.34Å; L252-H256 PolarHBondContact O-N 2.87Å |
| 253 | L | 63.8 | Low | 59.2 | Low | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.12 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 175.4 | -63.6 | 176.8 | 0 | 0 | 0 | 111.8 | A240 W251 M255 H256 K257 | A240-L253 HydrophobicContact CB-CD1 3.5Å; A240-L253 HydrophobicContact CB-CD2 3.46Å; A240-L253 VanDerWaalsContact CB-CD2 3.46Å; A240-L253 HydrophobicContact CB-CG 4.1Å; W251-L253 VanDerWaalsContact C-N 3.35Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 3.24Å; L253-H256 PolarHBondContact O-N 3.01Å; L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 PolarHBondContact O-N 2.9Å |
| 254 | G | 63.7 | Low | 59.3 | Low | 42 Ų | 42 | 80.7 Ų | 80.7 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | P250 W251 K258 | P250-G254 PolarHBondContact O-N 3.44Å; W251-G254 PolarHBondContact O-N 3.41Å; G254-K258 WeakPolarHBondContact O-CB 3.47Å; G254-K258 PolarHBondContact O-N 3.03Å; G254-K258 VanDerWaalsContact O-N 3.12Å |
| 255 | M | 61 | Low | 59.2 | Low | 98 Ų | 98 | 82.5 Ų | 82.5 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 175 | -88.9 | -177.8 | 58.1 | 0 | 0 | 113.4 | Y222 W251 L252 L253 K258 S259 | Y222-M255 VanDerWaalsContact OH-CE 3.24Å; Y222-M255 WeakPolarHBondContact OH-CE 3.12Å; W251-M255 HydrophobicContact CE3-SD 4.39Å; W251-M255 HydrophobicContact CZ3-SD 4.21Å; W251-M255 PolarHBondContact O-N 3.09Å; L252-M255 PolarHBondContact O-N 3.01Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 3.24Å; M255-K258 PolarHBondContact O-N 2.8Å; M255-S259 WeakPolarHBondContact O-CB 3.13Å; M255-S259 PolarHBondContact O-N 3.44Å |
| 256 | H | 61.8 | Low | 59.1 | Low | 63 Ų | 63 | 78.4 Ų | 78.4 | 29% | 0.292 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178.8 | -175.8 | 52.4 | 0 | 0 | 0 | 111.8 | L237 L252 L253 S259 L260 | L237-H256 WeakPolarHBondContact CD2-NE2 3.41Å; L252-H256 WeakPolarHBondContact O-CB 3.34Å; L252-H256 PolarHBondContact O-N 2.87Å; L253-H256 PolarHBondContact O-N 3.01Å; H256-S259 PolarHBondContact O-N 2.99Å; H256-L260 WeakPolarHBondContact NE2-CD1 3.38Å; H256-L260 PolarHBondContact O-N 2.8Å |
| 257 | K | 65.4 | Low | 59 | Low | 132 Ų | 132 | 74.7 Ų | 74.7 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.3 | -48.8 | 173.1 | -176.8 | 172.9 | 177.9 | 175.8 | 0 | 111.3 | L253 S259 L260 E261 | L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 PolarHBondContact O-N 2.9Å; K257-S259 VanDerWaalsContact C-N 3.3Å; K257-S259 PolarHBondContact O-N 2.98Å; K257-L260 PolarHBondContact O-N 3.4Å; K257-E261 WeakPolarHBondContact CE-OE1 3.48Å; K257-E261 WeakPolarHBondContact CG-OE1 3.35Å; K257-E261 WeakPolarHBondContact O-CB 3.5Å; K257-E261 WeakPolarHBondContact O-CG 3.46Å; K257-E261 PolarHBondContact O-N 3.17Å |
| 258 | K | 61.2 | Low | 58.8 | Low | 157 Ų | 157 | 85.3 Ų | 85.3 | 68% | 0.683 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.6 | -37 | 174.3 | -106.6 | 174.3 | 174.1 | 177.7 | 0 | 113.2 | G254 M255 A262 | G254-K258 WeakPolarHBondContact O-CB 3.47Å; G254-K258 PolarHBondContact O-N 3.03Å; G254-K258 VanDerWaalsContact O-N 3.12Å; M255-K258 PolarHBondContact O-N 2.8Å; K258-A262 VanDerWaalsContact O-CB 3.24Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.42Å |
| 259 | S | 62.9 | Low | 57.7 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | M255 H256 K257 A263 | M255-S259 WeakPolarHBondContact O-CB 3.13Å; M255-S259 PolarHBondContact O-N 3.44Å; H256-S259 PolarHBondContact O-N 2.99Å; K257-S259 VanDerWaalsContact C-N 3.3Å; K257-S259 PolarHBondContact O-N 2.98Å; S259-A263 WeakPolarHBondContact O-CB 3.18Å; S259-A263 PolarHBondContact O-N 3.49Å |
| 260 | L | 61.7 | Low | 56.8 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.2 | -40.5 | 174.4 | -80.4 | 170.8 | 0 | 0 | 0 | 111.8 | H256 K257 A263 A264 | H256-L260 WeakPolarHBondContact NE2-CD1 3.38Å; H256-L260 PolarHBondContact O-N 2.8Å; K257-L260 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 2.92Å; L260-A264 WeakPolarHBondContact O-CB 3.35Å; L260-A264 PolarHBondContact O-N 3.19Å |
| 261 | E | 57.1 | Low | 55.3 | Low | 95 Ų | 95 | 103.1 Ų | 103.1 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -46 | 174.2 | -73 | 169.1 | 177.1 | 0 | 0 | 110.6 | K257 A263 A264 E265 | K257-E261 WeakPolarHBondContact CE-OE1 3.48Å; K257-E261 WeakPolarHBondContact CG-OE1 3.35Å; K257-E261 WeakPolarHBondContact O-CB 3.5Å; K257-E261 WeakPolarHBondContact O-CG 3.46Å; K257-E261 PolarHBondContact O-N 3.17Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 2.85Å; E261-A264 PolarHBondContact O-N 3.3Å; E261-A264 VanDerWaalsContact O-N 3.17Å; E261-E265 PolarHBondContact O-N 3.47Å |
| 262 | A | 56.7 | Low | 54.2 | Low | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -33.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K258 S266 | K258-A262 VanDerWaalsContact O-CB 3.24Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.42Å; A262-S266 PolarHBondContact O-N 3.08Å |
| 263 | A | 58.6 | Low | 52.8 | Low | 53 Ų | 53 | 108.2 Ų | 108.2 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.3 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S259 L260 E261 S266 G267 | S259-A263 WeakPolarHBondContact O-CB 3.18Å; S259-A263 PolarHBondContact O-N 3.49Å; L260-A263 PolarHBondContact O-N 2.92Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 2.85Å; A263-S266 PolarHBondContact O-N 3.39Å; A263-S266 PolarHBondContact O-OG 3.15Å; A263-G267 PolarHBondContact O-N 3.01Å |
| 264 | A | 59.4 | Low | 51.3 | Low | 72 Ų | 72 | 117 Ų | 117 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.4 | -35.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L260 E261 G267 | L260-A264 WeakPolarHBondContact O-CB 3.35Å; L260-A264 PolarHBondContact O-N 3.19Å; E261-A264 PolarHBondContact O-N 3.3Å; E261-A264 VanDerWaalsContact O-N 3.17Å; A264-G267 PolarHBondContact O-N 3.18Å |
| 265 | E | 53.1 | Low | 49.7 | Very low | 159 Ų | 159 | 124 Ų | 124 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.3 | -35.4 | 175.2 | -128.4 | 118.6 | -145.5 | 0 | 0 | 112.2 | E261 G267 | E261-E265 PolarHBondContact O-N 3.47Å; E265-G267 PolarHBondContact O-N 2.84Å |
| 266 | S | 52 | Low | 48.2 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -8.7 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | A262 A263 | A262-S266 PolarHBondContact O-N 3.08Å; A263-S266 PolarHBondContact O-N 3.39Å; A263-S266 PolarHBondContact O-OG 3.15Å |
| 267 | G | 48.8 | Very low | 46.7 | Very low | 63 Ų | 63 | 129 Ų | 129 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A263 A264 E265 | A263-G267 PolarHBondContact O-N 3.01Å; A264-G267 PolarHBondContact O-N 3.18Å; E265-G267 PolarHBondContact O-N 2.84Å |
| 268 | R | 52 | Low | 45.7 | Very low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | trans | -100.5 | 92.1 | 173.4 | -70.4 | -162.5 | -155.6 | -147.1 | 7.9 | 110.8 | ||||
| 269 | K | 35 | Very low | 44.2 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | trans | -85.5 | 141.8 | 158 | -88 | -172.3 | 174.8 | -178.5 | 0 | 110.1 | ||||
| 270 | P | 39.5 | Very low | 42.6 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -78 | 121.1 | 176.1 | 31.5 | -30.5 | 0 | 0 | 0 | 109.5 | ||||
| 271 | E | 28.6 | Very low | 41.1 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 95% | 0.949 | 73% | 0.725 | S | S | * | * | trans | -85.9 | 116 | 166.8 | -75.4 | -154.7 | 146.6 | 0 | 0 | 109.7 | ||||
| 272 | G | 34.1 | Very low | 40 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -117.5 | 100.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | E | 32.7 | Very low | 38.8 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 110.2 | 132.6 | -121.9 | -170.6 | 119.1 | 0 | 0 | 121.9 | ||||
| 274 | R | 32.4 | Very low | 37.4 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | 157.1 | 123 | 99.9 | -84.6 | -176 | 177.5 | 175.8 | 0.3 | 113.4 | |||||
| 275 | Q | 29.6 | Very low | 35.9 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | 173.4 | 129.1 | 107.7 | -88.5 | -179.2 | 34.9 | 0 | 0 | 113.8 | |||||
| 276 | A | 30.2 | Very low | 34.8 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 76.9 | 92.4 | 150 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 277 | L | 28.7 | Very low | 33.9 | Very low | 169 Ų | 169 | 159 Ų | 159 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | 15.5 | 160.4 | 129.3 | -86.1 | 173.5 | 0 | 0 | 0 | 122.8 | |||||
| 278 | P | 44.6 | Very low | 33.3 | Very low | 96 Ų | 96 | 167.6 Ų | 167.6 | 62% | 0.623 | 82% | 0.816 | S | S | * | * | cis | -146 | 174 | 10.1 | 40 | -17.9 | 0 | 0 | 0 | 120.6 | ||||
| 279 | K | 30.5 | Very low | 32.3 | Very low | 182 Ų | 182 | 159.1 Ų | 159.1 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 81.7 | 144.5 | 154.8 | -48.1 | -168 | -174.6 | 172.8 | 0 | 118.4 | ||||
| 280 | L | 29.3 | Very low | 32.9 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | cis | -165.6 | 165.3 | 1.6 | -121.7 | 156.8 | 0 | 0 | 0 | 108.1 | ||||
| 281 | D | 31 | Very low | 32.6 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 84.5 | 85.3 | 160.9 | -58.8 | -35.2 | 0 | 0 | 0 | 122.7 | ||||
| 282 | K | 32.4 | Very low | 33.4 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | 38.2 | 110.1 | 109.1 | -163.4 | 174.4 | -178.1 | -179.6 | 0 | 119.6 | |||||
| 283 | M | 31.9 | Very low | 34 | Very low | 179 Ų | 179 | 157.4 Ų | 157.4 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | -169 | 131.2 | 117.7 | -111.4 | 172.4 | 91.4 | 0 | 0 | 112.9 | |||||
| 284 | E | 29.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -49.2 | 161.7 | 160.9 | -64.9 | 159.6 | 158.8 | 0 | 0 | 111.3 | ||||
| 285 | Q | 27.9 | Very low | 35.8 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | cis | 174.2 | 118.5 | -2.1 | 166.9 | 176.7 | 32.7 | 0 | 0 | 103.7 | ||||
| 286 | E | 30.8 | Very low | 37.2 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -164.5 | 86.7 | 155.3 | -127.5 | -173.4 | 144.5 | 0 | 0 | 110.1 | ||||
| 287 | E | 32.6 | Very low | 39.1 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -98.3 | 106.8 | 169.2 | -92 | -75.6 | 140.6 | 0 | 0 | 108.1 | ||||
| 288 | R | 36.9 | Very low | 40.8 | Very low | 243 Ų | 243 | 143 Ų | 143 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -120.2 | 106.4 | 167.2 | -172.5 | 179.4 | -159.4 | -113 | 2.2 | 108.6 | ||||
| 289 | G | 31.1 | Very low | 41.8 | Very low | 55 Ų | 55 | 144.5 Ų | 144.5 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | trans | 117.6 | 115.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 290 | P | 47.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -87.1 | 126.3 | 166.5 | 33.5 | -25.1 | 0 | 0 | 0 | 109.3 | ||||
| 291 | D | 31.8 | Very low | 45 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -137.3 | 83 | 159.3 | -89.1 | -40.2 | 0 | 0 | 0 | 109.6 | Q293 | D291-Q293 PolarHBondContact O-N 3.4Š| ||
| 292 | A | 46.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | trans | -80.8 | 89 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 293 | Q | 46.3 | Very low | 48.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -130.9 | 90.2 | 165.8 | -74.1 | -164.3 | 9 | 0 | 0 | 110.8 | D291 | D291-Q293 PolarHBondContact O-N 3.4Š| ||
| 294 | A | 49.9 | Very low | 50.6 | Low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | trans | -164.8 | 34 | 151.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 295 | A | 53.8 | Low | 53.3 | Low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -96.9 | 102.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | S297 | A295-S297 PolarHBondContact O-N 3.15Å; A295-S297 VanDerWaalsContact O-N 3.13Å |
| 296 | I | 57.3 | Low | 55.3 | Low | 125 Ų | 125 | 126.8 Ų | 126.8 | 64% | 0.641 | 68% | 0.683 | S | S | * | * | trans | -45 | 120 | 173.2 | -65.3 | 159.4 | 0 | 0 | 0 | 108.3 | E300 L301 | I296-E300 HydrophobicContact CG2-CB 4.31Å; I296-L301 HydrophobicContact CG2-CG 4.35Å | ||
| 297 | S | 70.4 | Confident | 57.7 | Low | 60 Ų | 60 | 120.7 Ų | 120.7 | 42% | 0.42 | 67% | 0.665 | S | S | . | * | trans | -67.9 | 142.9 | -172.6 | 71.3 | 0 | 0 | 0 | 0 | 110 | A295 E299 E300 L301 | A295-S297 PolarHBondContact O-N 3.15Å; A295-S297 VanDerWaalsContact O-N 3.13Å; S297-E299 PolarHBondContact O-N 3.33Å; S297-E300 WeakPolarHBondContact O-CB 3.28Å; S297-E300 PolarHBondContact O-N 3.36Å; S297-E300 PolarHBondContact OG-N 3.39Å; S297-L301 PolarHBondContact O-N 3.44Å | ||
| 298 | Q | 64.7 | Low | 60.2 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.2 | -20.9 | 178.8 | -162.6 | -172.4 | 24.7 | 0 | 0 | 112.2 | R302 | Q298-R302 WeakPolarHBondContact O-CG 3.24Å; Q298-R302 PolarHBondContact O-N 2.98Å; Q298-R302 PolarHBondContact O-NH1 3.35Å |
| 299 | E | 66.3 | Low | 62.4 | Low | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.2 | -41.3 | 174.4 | -168.6 | 156.7 | -148.9 | 0 | 0 | 111.9 | S297 L301 R302 E303 | S297-E299 PolarHBondContact O-N 3.33Å; E299-L301 VanDerWaalsContact C-N 3.31Å; E299-L301 PolarHBondContact O-N 3.23Å; E299-R302 WeakPolarHBondContact O-CB 3.46Å; E299-R302 PolarHBondContact O-N 2.86Å; E299-E303 WeakPolarHBondContact O-CG 3.26Å; E299-E303 PolarHBondContact O-N 2.87Å |
| 300 | E | 65.9 | Low | 64.8 | Low | 111 Ų | 111 | 111.6 Ų | 111.6 | 52% | 0.519 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.9 | -33.9 | 176.5 | -153.7 | 177.5 | 171.8 | 0 | 0 | 112.3 | I296 S297 E303 N304 | I296-E300 HydrophobicContact CG2-CB 4.31Å; S297-E300 WeakPolarHBondContact O-CB 3.28Å; S297-E300 PolarHBondContact O-N 3.36Å; S297-E300 PolarHBondContact OG-N 3.39Å; E300-E303 PolarHBondContact O-N 3.42Å; E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.46Å |
| 301 | L | 61.1 | Low | 66.6 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.5 | -31.4 | 171.5 | -79.8 | 164 | 0 | 0 | 0 | 113.2 | I296 S297 E299 S305 | I296-L301 HydrophobicContact CG2-CG 4.35Å; S297-L301 PolarHBondContact O-N 3.44Å; E299-L301 VanDerWaalsContact C-N 3.31Å; E299-L301 PolarHBondContact O-N 3.23Å; L301-S305 WeakPolarHBondContact O-CB 3.35Å; L301-S305 PolarHBondContact O-N 3.39Å; L301-S305 VanDerWaalsContact O-N 3.08Å |
| 302 | R | 69.3 | Low | 69.3 | Low | 146 Ų | 146 | 108.3 Ų | 108.3 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.1 | -39.8 | 174.8 | -72.4 | 173.6 | -177.5 | 111.6 | -1.6 | 110.6 | Q298 E299 S305 A308 | Q298-R302 WeakPolarHBondContact O-CG 3.24Å; Q298-R302 PolarHBondContact O-N 2.98Å; Q298-R302 PolarHBondContact O-NH1 3.35Å; E299-R302 WeakPolarHBondContact O-CB 3.46Å; E299-R302 PolarHBondContact O-N 2.86Å; R302-S305 VanDerWaalsContact O-CB 3.28Å; R302-S305 WeakPolarHBondContact O-CB 3.33Å; R302-S305 PolarHBondContact O-N 3.02Å; R302-A308 WeakPolarHBondContact O-CB 3.33Å |
| 303 | E | 68.5 | Low | 71.1 | Confident | 130 Ų | 130 | 106.2 Ų | 106.2 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.7 | -34.4 | 178.8 | -68.1 | -176.9 | 177.6 | 0 | 0 | 113.4 | E299 E300 S305 A308 | E299-E303 WeakPolarHBondContact O-CG 3.26Å; E299-E303 PolarHBondContact O-N 2.87Å; E300-E303 PolarHBondContact O-N 3.42Å; E303-S305 VanDerWaalsContact C-N 3.32Å; E303-A308 WeakPolarHBondContact O-CB 3.47Å |
| 304 | N | 74.7 | Confident | 72.8 | Confident | 116 Ų | 116 | 104.4 Ų | 104.4 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -87.4 | -0 | 174.6 | -145.6 | -80.2 | 0 | 0 | 0 | 113.3 | E300 I306 | E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.46Å; N304-I306 PolarHBondContact O-N 3.04Å |
| 305 | S | 87 | Confident | 74.4 | Confident | 52 Ų | 52 | 105.4 Ų | 105.4 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -58.3 | 142.1 | 176.8 | 178 | 0 | 0 | 0 | 0 | 110.6 | L301 R302 E303 A307 A308 L309 | L301-S305 WeakPolarHBondContact O-CB 3.35Å; L301-S305 PolarHBondContact O-N 3.39Å; L301-S305 VanDerWaalsContact O-N 3.08Å; R302-S305 VanDerWaalsContact O-CB 3.28Å; R302-S305 WeakPolarHBondContact O-CB 3.33Å; R302-S305 PolarHBondContact O-N 3.02Å; E303-S305 VanDerWaalsContact C-N 3.32Å; S305-A307 PolarHBondContact O-N 3.12Å; S305-A307 PolarHBondContact OG-N 3.35Å; S305-A308 WeakPolarHBondContact O-CB 3.3Å; S305-A308 PolarHBondContact O-N 3.04Å; S305-L309 PolarHBondContact O-N 3.35Å |
| 306 | I | 68.8 | Low | 75.8 | Confident | 111 Ų | 111 | 107 Ų | 107 | 57% | 0.569 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -52 | -33.1 | 176.3 | -64.5 | 172.7 | 0 | 0 | 0 | 111 | N304 R310 | N304-I306 PolarHBondContact O-N 3.04Å; I306-R310 HydrophobicContact CG2-CG 4.48Å; I306-R310 WeakPolarHBondContact O-CB 3.4Å; I306-R310 WeakPolarHBondContact O-CD 3.34Å; I306-R310 WeakPolarHBondContact O-CG 3.4Å; I306-R310 PolarHBondContact O-N 3.12Å |
| 307 | A | 80.5 | Confident | 76.6 | Confident | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S305 R310 A311 | S305-A307 PolarHBondContact O-N 3.12Å; S305-A307 PolarHBondContact OG-N 3.35Å; A307-R310 PolarHBondContact O-N 2.84Å; A307-A311 PolarHBondContact O-N 3.34Å |
| 308 | A | 85.8 | Confident | 76.7 | Confident | 35 Ų | 35 | 105.5 Ų | 105.5 | 29% | 0.289 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R302 E303 S305 R310 A311 K312 | R302-A308 WeakPolarHBondContact O-CB 3.33Å; E303-A308 WeakPolarHBondContact O-CB 3.47Å; S305-A308 WeakPolarHBondContact O-CB 3.3Å; S305-A308 PolarHBondContact O-N 3.04Å; A308-R310 VanDerWaalsContact C-N 3.33Å; A308-R310 PolarHBondContact O-N 2.96Å; A308-A311 PolarHBondContact O-N 3.35Å; A308-K312 WeakPolarHBondContact O-CB 3.41Å; A308-K312 PolarHBondContact O-N 3.37Å |
| 309 | L | 83.3 | Confident | 77.5 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175 | -66.8 | 175.1 | 0 | 0 | 0 | 112.2 | S305 A313 | S305-L309 PolarHBondContact O-N 3.35Å; L309-A313 WeakPolarHBondContact O-CB 3.46Å; L309-A313 PolarHBondContact O-N 2.98Å |
| 310 | R | 81.6 | Confident | 77.8 | Confident | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 174.2 | -76.8 | 170.3 | -178.1 | 170.4 | 2.9 | 112.1 | I306 A307 A308 A313 Q314 | I306-R310 HydrophobicContact CG2-CG 4.48Å; I306-R310 WeakPolarHBondContact O-CB 3.4Å; I306-R310 WeakPolarHBondContact O-CD 3.34Å; I306-R310 WeakPolarHBondContact O-CG 3.4Å; I306-R310 PolarHBondContact O-N 3.12Å; A307-R310 PolarHBondContact O-N 2.84Å; A308-R310 VanDerWaalsContact C-N 3.33Å; A308-R310 PolarHBondContact O-N 2.96Å; R310-A313 PolarHBondContact O-N 3.36Å; R310-Q314 WeakPolarHBondContact O-CG 3.47Å; R310-Q314 PolarHBondContact O-N 3.25Å |
| 311 | A | 85.5 | Confident | 77.7 | Confident | 55 Ų | 55 | 104.3 Ų | 104.3 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A307 A308 A313 Q314 E315 | A307-A311 PolarHBondContact O-N 3.34Å; A308-A311 PolarHBondContact O-N 3.35Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A311-A313 PolarHBondContact O-N 3.33Å; A311-Q314 PolarHBondContact O-N 2.95Å; A311-E315 PolarHBondContact O-N 2.89Å |
| 312 | K | 88.9 | Confident | 77.6 | Confident | 152 Ų | 152 | 101 Ų | 101 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.6 | -34.9 | 178.6 | -159.7 | 167.3 | -171.8 | 165.5 | 0 | 112.9 | A308 E315 H316 | A308-K312 WeakPolarHBondContact O-CB 3.41Å; A308-K312 PolarHBondContact O-N 3.37Å; K312-E315 PolarHBondContact O-N 3.13Å; K312-H316 WeakPolarHBondContact O-CB 3.42Å; K312-H316 PolarHBondContact O-N 3.07Å |
| 313 | A | 83.3 | Confident | 76.8 | Confident | 61 Ų | 61 | 99.5 Ų | 99.5 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L309 R310 A311 H316 S317 | L309-A313 WeakPolarHBondContact O-CB 3.46Å; L309-A313 PolarHBondContact O-N 2.98Å; R310-A313 PolarHBondContact O-N 3.36Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A311-A313 PolarHBondContact O-N 3.33Å; A313-H316 PolarHBondContact O-N 3.34Å; A313-S317 WeakPolarHBondContact O-CB 3.34Å; A313-S317 PolarHBondContact O-N 3.26Å |
| 314 | Q | 82.6 | Confident | 75.9 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 173.7 | -73.9 | -170.7 | -39.7 | 0 | 0 | 111.5 | R310 A311 H316 S317 T318 | R310-Q314 WeakPolarHBondContact O-CG 3.47Å; R310-Q314 PolarHBondContact O-N 3.25Å; A311-Q314 PolarHBondContact O-N 2.95Å; Q314-H316 PolarHBondContact O-N 2.91Å; Q314-S317 WeakPolarHBondContact O-CB 3.21Å; Q314-S317 PolarHBondContact O-N 3.25Å; Q314-T318 WeakPolarHBondContact O-CG2 3.44Å; Q314-T318 PolarHBondContact O-N 3.17Å; Q314-T318 PolarHBondContact O-OG1 3.28Å |
| 315 | E | 83.3 | Confident | 74.4 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -41.8 | 175.4 | -168.7 | -174.1 | 174.4 | 0 | 0 | 112.1 | A311 K312 S317 T318 K319 | A311-E315 PolarHBondContact O-N 2.89Å; K312-E315 PolarHBondContact O-N 3.13Å; E315-S317 VanDerWaalsContact C-N 3.32Å; E315-S317 PolarHBondContact O-N 2.95Å; E315-T318 WeakPolarHBondContact CA-OG1 3.44Å; E315-T318 PolarHBondContact O-N 3.4Å; E315-T318 PolarHBondContact O-OG1 3.04Å; E315-K319 VanDerWaalsContact O-CB 3.24Å; E315-K319 WeakPolarHBondContact O-CB 3.24Å; E315-K319 PolarHBondContact O-N 3.33Å |
| 316 | H | 83.1 | Confident | 71.9 | Confident | 130 Ų | 130 | 99.2 Ų | 99.2 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 173.8 | -173 | -87.6 | 0 | 0 | 0 | 111.5 | K312 A313 Q314 K319 V320 | K312-H316 WeakPolarHBondContact O-CB 3.42Å; K312-H316 PolarHBondContact O-N 3.07Å; A313-H316 PolarHBondContact O-N 3.34Å; Q314-H316 PolarHBondContact O-N 2.91Å; H316-K319 PolarHBondContact O-N 2.93Å; H316-V320 WeakPolarHBondContact O-CB 3.34Å; H316-V320 VanDerWaalsContact O-CG2 3.25Å; H316-V320 WeakPolarHBondContact O-CG2 3.41Å; H316-V320 PolarHBondContact O-N 3.17Å |
| 317 | S | 73.9 | Confident | 70.6 | Confident | 61 Ų | 61 | 99.5 Ų | 99.5 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65 | -42 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | A313 Q314 E315 K319 V320 L321 | A313-S317 WeakPolarHBondContact O-CB 3.34Å; A313-S317 PolarHBondContact O-N 3.26Å; Q314-S317 WeakPolarHBondContact O-CB 3.21Å; Q314-S317 PolarHBondContact O-N 3.25Å; E315-S317 VanDerWaalsContact C-N 3.32Å; E315-S317 PolarHBondContact O-N 2.95Å; S317-K319 VanDerWaalsContact C-N 3.33Å; S317-V320 PolarHBondContact O-N 2.88Å; S317-L321 WeakPolarHBondContact O-CB 3.24Å; S317-L321 VanDerWaalsContact O-CG 3.31Å; S317-L321 WeakPolarHBondContact O-CG 3.37Å; S317-L321 PolarHBondContact O-N 2.93Å |
| 318 | T | 73.4 | Confident | 68.4 | Low | 92 Ų | 92 | 103.8 Ų | 103.8 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -31.5 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | Q314 E315 G322 | Q314-T318 WeakPolarHBondContact O-CG2 3.44Å; Q314-T318 PolarHBondContact O-N 3.17Å; Q314-T318 PolarHBondContact O-OG1 3.28Å; E315-T318 WeakPolarHBondContact CA-OG1 3.44Å; E315-T318 PolarHBondContact O-N 3.4Å; E315-T318 PolarHBondContact O-OG1 3.04Å; T318-G322 VanDerWaalsContact O-CA 3.22Å; T318-G322 WeakPolarHBondContact O-CA 2.97Å; T318-G322 PolarHBondContact O-N 3.26Å |
| 319 | K | 79.9 | Confident | 65.7 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.8 | -38.3 | 174.6 | -165.1 | 161.7 | -175.7 | 171.1 | 0 | 112.3 | E315 H316 S317 T323 | E315-K319 VanDerWaalsContact O-CB 3.24Å; E315-K319 WeakPolarHBondContact O-CB 3.24Å; E315-K319 PolarHBondContact O-N 3.33Å; H316-K319 PolarHBondContact O-N 2.93Å; S317-K319 VanDerWaalsContact C-N 3.33Å; K319-T323 VanDerWaalsContact O-CG2 3.27Å; K319-T323 WeakPolarHBondContact O-CG2 3.44Å; K319-T323 PolarHBondContact O-N 2.8Å; K319-T323 VanDerWaalsContact O-N 3.14Å; K319-T323 PolarHBondContact O-OG1 3.4Å |
| 320 | V | 73.7 | Confident | 63.4 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72.5 | -33.9 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | H316 S317 T323 | H316-V320 WeakPolarHBondContact O-CB 3.34Å; H316-V320 VanDerWaalsContact O-CG2 3.25Å; H316-V320 WeakPolarHBondContact O-CG2 3.41Å; H316-V320 PolarHBondContact O-N 3.17Å; S317-V320 PolarHBondContact O-N 2.88Å; V320-T323 PolarHBondContact O-OG1 3.31Å |
| 321 | L | 64.4 | Low | 61.1 | Low | 116 Ų | 116 | 106.5 Ų | 106.5 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85 | -22.6 | 175 | -67 | 170.4 | 0 | 0 | 0 | 112.6 | S317 V324 | S317-L321 WeakPolarHBondContact O-CB 3.24Å; S317-L321 VanDerWaalsContact O-CG 3.31Å; S317-L321 WeakPolarHBondContact O-CG 3.37Å; S317-L321 PolarHBondContact O-N 2.93Å; L321-V324 WeakPolarHBondContact O-CG1 3.44Å |
| 322 | G | 57.4 | Low | 58.4 | Low | 43 Ų | 43 | 115.3 Ų | 115.3 | 44% | 0.443 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -83.9 | -22.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T318 V324 S325 | T318-G322 VanDerWaalsContact O-CA 3.22Å; T318-G322 WeakPolarHBondContact O-CA 2.97Å; T318-G322 PolarHBondContact O-N 3.26Å; G322-V324 PolarHBondContact O-N 3.36Å; G322-S325 PolarHBondContact O-N 3.46Å |
| 323 | T | 52.5 | Low | 55.7 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 1.7 | 169.6 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | K319 V320 | K319-T323 VanDerWaalsContact O-CG2 3.27Å; K319-T323 WeakPolarHBondContact O-CG2 3.44Å; K319-T323 PolarHBondContact O-N 2.8Å; K319-T323 VanDerWaalsContact O-N 3.14Å; K319-T323 PolarHBondContact O-OG1 3.4Å; V320-T323 PolarHBondContact O-OG1 3.31Å |
| 324 | V | 50.3 | Low | 53.4 | Low | 121 Ų | 121 | 115.8 Ų | 115.8 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 9.6 | 169.4 | 96.4 | 0 | 0 | 0 | 0 | 113.7 | L321 G322 | L321-V324 WeakPolarHBondContact O-CG1 3.44Å; G322-V324 PolarHBondContact O-N 3.36Å |
| 325 | S | 44.3 | Very low | 50.9 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | -117 | 85.7 | 166.7 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | G322 | G322-S325 PolarHBondContact O-N 3.46Š| ||
| 326 | G | 32.7 | Very low | 48.5 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | -71.4 | 142.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 327 | P | 43 | Very low | 46.8 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -99.6 | 155 | 169.1 | 33.5 | -24.7 | 0 | 0 | 0 | 112.4 | ||||
| 328 | D | 33.1 | Very low | 44.8 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | 86.3 | 95.1 | 159.9 | -69.1 | -20 | 0 | 0 | 0 | 121.6 | ||||
| 329 | S | 29.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | -144.4 | 133.8 | 111.9 | 42.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 330 | L | 35.5 | Very low | 40.8 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | cis | -164.7 | 137.9 | 6.3 | -107.7 | 157.3 | 0 | 0 | 0 | 109.2 | ||||
| 331 | A | 32.4 | Very low | 38.9 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | 66.3 | 113.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 332 | R | 28.8 | Very low | 37.6 | Very low | 240 Ų | 240 | 133.8 Ų | 133.8 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | -164.2 | 96 | 114.3 | -157.7 | 160.8 | -159.3 | -137.6 | 0 | 110 | |||||
| 333 | S | 33.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 71.4 | 109.9 | 107.7 | -55.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 334 | T | 35.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | 16.1 | 127.8 | 133.5 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 335 | E | 29.2 | Very low | 35.4 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | -165.4 | 165.1 | 65 | -73.9 | 173.8 | 148.4 | 0 | 0 | 110.6 | |||||
| 336 | K | 32.2 | Very low | 34.9 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -122.5 | 166.4 | 164 | -100.9 | -168.7 | 179.2 | -171.3 | 0 | 106.8 | ||||
| 337 | P | 48.5 | Very low | 35 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | cis | -135.8 | -161.1 | -6.6 | 29.9 | -4.7 | 0 | 0 | 0 | 112.8 | ||||
| 338 | E | 30.9 | Very low | 35.7 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 81.4 | 148.3 | 167.6 | -54.3 | 171.8 | -171.4 | 0 | 0 | 114.8 | ||||
| 339 | E | 32.8 | Very low | 36 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | cis | -162.2 | -172.8 | -16.9 | -114 | 178.6 | -178.9 | 0 | 0 | 103.9 | ||||
| 340 | E | 37.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -53.3 | 165.7 | -169.9 | -60 | -178.7 | 129 | 0 | 0 | 119.4 | ||||
| 341 | E | 32.6 | Very low | 36.6 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 116.4 | 110.4 | 146.1 | -62.9 | -126.7 | 142.8 | 0 | 0 | 119.5 | ||||
| 342 | A | 37.1 | Very low | 36.9 | Very low | 84 Ų | 84 | 156.4 Ų | 156.4 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | 33.5 | 136.3 | 131.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 343 | M | 36.5 | Very low | 37.4 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 87.7 | 133.6 | 135.1 | -88.8 | 177.7 | 165.9 | 0 | 0 | 122.4 | ||||
| 344 | D | 35.8 | Very low | 38.4 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 92.8 | 118 | 144.8 | -97 | -86.7 | 0 | 0 | 0 | 123.1 | ||||
| 345 | E | 43.1 | Very low | 39.7 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 16.1 | 128.9 | 138.6 | -72.3 | -87.4 | 139.5 | 0 | 0 | 119.9 | ||||
| 346 | D | 34.1 | Very low | 40.3 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | 164.7 | 155.7 | 90.2 | -156.8 | -5.2 | 0 | 0 | 0 | 109.6 | |||||
| 347 | R | 33.1 | Very low | 41.4 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -98.7 | -155.1 | -173.7 | -157.7 | -152.2 | -110.3 | -147.5 | -11.7 | 110.1 | ||||
| 348 | P | 58.1 | Low | 41.7 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -102.2 | 176.6 | -92.7 | 32.6 | -16.4 | 0 | 0 | 0 | 114.9 | |||||
| 349 | A | 39.5 | Very low | 42.5 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | 160.9 | 120.6 | 128.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 350 | E | 36.8 | Very low | 43.2 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 99.1 | 144 | 74.6 | -148.6 | -161.7 | -139.8 | 0 | 0 | 111.9 | |||||
| 351 | R | 40.5 | Very low | 43.9 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | 94.6 | 106.7 | 163 | -56 | -167.9 | -175.8 | -161.6 | 1.6 | 116.6 | ||||
| 352 | L | 39.4 | Very low | 44.5 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 93.2 | 134.1 | 72.3 | -84 | 164.2 | 0 | 0 | 0 | 111.7 | |||||
| 353 | S | 38.8 | Very low | 44.9 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -77.6 | -157 | -159.8 | -48.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 354 | P | 55.4 | Low | 45.3 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -121.3 | -133.7 | -105 | 39.5 | -16.4 | 0 | 0 | 0 | 110.9 | |||||
| 355 | P | 61.5 | Low | 45.9 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -101.9 | -165.9 | -72.3 | 33.6 | -14.7 | 0 | 0 | 0 | 110.8 | |||||
| 356 | Q | 42.9 | Very low | 46.1 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 174 | 117.8 | 141.6 | -76 | -121.8 | -38.9 | 0 | 0 | 110.8 | ||||
| 357 | L | 55 | Low | 46.9 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | 72.6 | 117 | 116.1 | -81.9 | 140.1 | 0 | 0 | 0 | 115.6 | |||||
| 358 | E | 54.4 | Low | 47.8 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 43.4 | 130.6 | 73.7 | -60.9 | -178.3 | -174.8 | 0 | 0 | 111.2 | |||||
| 359 | D | 47.9 | Very low | 47.1 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | cis | -173.4 | 167.1 | 24.7 | -139.4 | -13.9 | 0 | 0 | 0 | 108.5 | ||||
| 360 | M | 48.2 | Very low | 47.7 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 83% | 0.833 | 82% | 0.822 | S | S | * | * | trans | 35.2 | 115.9 | 148.7 | -67.1 | -177.3 | 166.2 | 0 | 0 | 122.6 | ||||
| 361 | A | 51.3 | Low | 48.7 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 100% | 1.521 | 83% | 0.83 | S | S | * | * | 166.8 | 0 | 115 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 361 of 361 residues in 783.1 ms
(Link to these results)