| 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 | 37.8 | Very low | 33 | Very low | 218 Ų | 218 | 161.6 Ų | 161.6 | 100% | 1.074 | 80% | 0.797 | S | S | * | * | 0 | 53.7 | 0 | -57.3 | 175.9 | -178.4 | 0 | 0 | 109.6 | |||||
| 2 | E | 30.6 | Very low | 32.4 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | 58 | 105.9 | 59.8 | -66.2 | 164 | 123.6 | 0 | 0 | 111.4 | |||||
| 3 | S | 30.6 | Very low | 32 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | 99.1 | 119.1 | 64.8 | -162.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 4 | I | 34.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 160.5 Ų | 160.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | -174.6 | 123.4 | 83.2 | -82.1 | 153.2 | 0 | 0 | 0 | 104.8 | |||||
| 5 | R | 35.8 | Very low | 31.2 | Very low | 221 Ų | 221 | 163.9 Ų | 163.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | 60.9 | 158.4 | 66.3 | -89.2 | -165.3 | 179.2 | 172.5 | 3.3 | 115.1 | |||||
| 6 | P | 44.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 158.1 Ų | 158.1 | 60% | 0.604 | 80% | 0.803 | S | S | * | * | cis | -143.8 | 173.1 | -28.8 | 40.5 | -23.2 | 0 | 0 | 0 | 115.7 | ||||
| 7 | Q | 29.4 | Very low | 30.6 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 54.7 | 160.5 | 134.4 | -74.2 | -173.2 | 29.9 | 0 | 0 | 122.6 | ||||
| 8 | R | 27.2 | Very low | 30.3 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 75% | 0.751 | 81% | 0.807 | S | S | * | * | cis | -179.7 | 171.4 | -17.7 | -175 | -172.8 | -161.6 | -166.5 | 5.9 | 108 | ||||
| 9 | L | 28.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 103.9 | 116.3 | 152.3 | -60.4 | 169.3 | 0 | 0 | 0 | 118.4 | ||||
| 10 | Q | 30.7 | Very low | 30 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -77.5 | 165.6 | 141.9 | -61.8 | -178.1 | 0.5 | 0 | 0 | 109.4 | ||||
| 11 | P | 33.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | -140 | 171.9 | 101.7 | 36 | -21.8 | 0 | 0 | 0 | 113.5 | |||||
| 12 | G | 25.9 | Very low | 29.4 | Very low | 62 Ų | 62 | 139.9 Ų | 139.9 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | -114.6 | -152.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 13 | I | 26.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | trans | 81 | 115.4 | 172.6 | -51.8 | 163.1 | 0 | 0 | 0 | 116.4 | ||||
| 14 | R | 25.9 | Very low | 29.1 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -175.4 | 153.6 | 112 | -170.4 | 169.8 | -84 | -167 | -3.8 | 113 | |||||
| 15 | F | 26 | Very low | 28.7 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -80.2 | 164.2 | 178.6 | -85.9 | -113.9 | 0 | 0 | 0 | 115.6 | ||||
| 16 | G | 26.3 | Very low | 28.2 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 141.1 | 123.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | A | 26 | Very low | 27.5 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | cis | 109.2 | 114 | 25.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 18 | G | 25.4 | Very low | 27.5 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 78.9 | 160.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 19 | S | 27.1 | Very low | 28.1 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -175.8 | 143.6 | -14.3 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 20 | T | 27.2 | Very low | 28 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 57.8 | 145.3 | 148.7 | 51.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 21 | G | 28.8 | Very low | 27.9 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 113.2 | 101.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 22 | T | 26.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | 74.8 | 133.2 | 35.9 | -29.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 23 | L | 27.6 | Very low | 27.9 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 79.2 | 149.3 | 166.6 | -55.3 | -174.9 | 0 | 0 | 0 | 117.6 | ||||
| 24 | R | 27.8 | Very low | 28.3 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | -170.5 | 149.4 | -30.7 | -147.6 | -172.3 | -155.5 | 176.4 | 2.6 | 108.9 | ||||
| 25 | S | 26.3 | Very low | 28.3 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | 50 | 120.5 | 143.2 | 57.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 26 | S | 26.5 | Very low | 28.4 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | 74.6 | 134 | 124.9 | -55.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 27 | L | 29.6 | Very low | 28.9 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | -156.8 | 158.8 | 121.8 | -103.1 | 162.1 | 0 | 0 | 0 | 111.8 | |||||
| 28 | R | 28.8 | Very low | 28.9 | Very low | 231 Ų | 231 | 128.3 Ų | 128.3 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -110.5 | -162.2 | -165.3 | -111.4 | -171 | 170.7 | -173.2 | -1.8 | 109.1 | ||||
| 29 | P | 40.4 | Very low | 29.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -139.2 | -178.5 | -56.1 | 41.2 | -24.6 | 0 | 0 | 0 | 114.4 | |||||
| 30 | G | 26 | Very low | 29.4 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 111.8 | 136 | 126.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 31 | V | 28 | Very low | 29.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -168.2 | 154.6 | 134.9 | 155.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 32 | T | 28.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -136.9 | 141.7 | -161.3 | 44.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 33 | V | 30.2 | Very low | 29.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | 75.3 | 146.6 | 140.4 | 165.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 34 | P | 35.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -133.9 | 171.5 | 31.1 | 24.9 | 1.1 | 0 | 0 | 0 | 121.4 | ||||
| 35 | T | 27.4 | Very low | 29.5 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -62.4 | 162.3 | 173.4 | -23.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 36 | A | 27.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | cis | -162.8 | -162.5 | 39.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 37 | P | 36.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -109 | 165.4 | -103.9 | 40.1 | -26.6 | 0 | 0 | 0 | 114.9 | |||||
| 38 | L | 25.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -172.7 | 136 | 153.5 | -102.9 | 160.7 | 0 | 0 | 0 | 112 | ||||
| 39 | L | 31.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 37.5 | 132.1 | 158.2 | -70 | 161.2 | 0 | 0 | 0 | 122 | ||||
| 40 | P | 31.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 130.4 | 169.1 | 32.3 | -32.2 | 0 | 0 | 0 | 112 | ||
| 41 | P | 32.5 | Very low | 29.3 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 156.6 | 166.6 | 31.6 | -33.3 | 0 | 0 | 0 | 111.3 | ||
| 42 | P | 29.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 164.1 | -174.2 | 30.2 | -36 | 0 | 0 | 0 | 113.3 | ||
| 43 | A | 27.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 136.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L45 | A43-L45 PolarHBondContact O-N 3.24Š|
| 44 | S | 24.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.8 | 169.4 | -44.5 | 0 | 0 | 0 | 0 | 110.5 | S46 | S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.13Å |
| 45 | L | 27.3 | Very low | 28.9 | Very low | 179 Ų | 179 | 105.8 Ų | 105.8 | 94% | 0.937 | 70% | 0.699 | S | S | * | * | trans | -65 | 90.6 | 165.9 | -74.8 | 167.8 | 0 | 0 | 0 | 108.5 | A43 A47 | A43-L45 PolarHBondContact O-N 3.24Å; L45-A47 PolarHBondContact O-N 3.36Å | ||
| 46 | S | 26.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 105.9 Ų | 105.9 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -61.4 | 118.4 | 171.4 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | S44 S48 | S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.13Å; S46-S48 PolarHBondContact O-N 2.69Å | ||
| 47 | A | 34.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 104.7 Ų | 104.7 | 90% | 0.901 | 67% | 0.672 | S | S | * | * | trans | -54.5 | 122.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L45 | L45-A47 PolarHBondContact O-N 3.36Š| ||
| 48 | S | 28.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 101.8 Ų | 101.8 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -135.6 | 129.9 | 166.9 | 62 | 0 | 0 | 0 | 0 | 110.4 | S46 | S46-S48 PolarHBondContact O-N 2.69Š| ||
| 49 | S | 27.8 | Very low | 28.8 | Very low | 118 Ų | 118 | 96.7 Ų | 96.7 | 83% | 0.825 | 63% | 0.626 | S | S | * | * | trans | 52.6 | 93.6 | 153.1 | -50.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 50 | G | 26.4 | Very low | 28.7 | Very low | 64 Ų | 64 | 93 Ų | 93 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54 | 156.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 51 | P | 30 | Very low | 28.5 | Very low | 74 Ų | 74 | 91.3 Ų | 91.3 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 134.2 | -173.7 | 24.6 | -32.4 | 0 | 0 | 0 | 110.6 | ||
| 52 | P | 28.2 | Very low | 28.1 | Very low | 80 Ų | 80 | 88.8 Ų | 88.8 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -61 | 156.5 | 175 | 26.3 | -34 | 0 | 0 | 0 | 110.5 | F208 | P52-F208 HydrophobicContact CB-CE1 4.43Š|
| 53 | P | 26 | Very low | 27.8 | Very low | 88 Ų | 88 | 89.6 Ų | 89.6 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 166.3 | 166.9 | 28.9 | -35.8 | 0 | 0 | 0 | 110 | ||
| 54 | P | 29.3 | Very low | 27.7 | Very low | 44 Ų | 44 | 93.4 Ų | 93.4 | 29% | 0.286 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 154.7 | 169.6 | -14.7 | 29 | 0 | 0 | 0 | 109 | Q56 H251 | P54-Q56 PolarHBondContact O-N 3.11Å; P54-H251 WeakPolarHBondContact CD-CE1 3.46Å; P54-H251 WeakPolarHBondContact CD-NE2 3.19Å; P54-H251 HydrophobicContact CG-CB 3.55Å; P54-H251 WeakPolarHBondContact CG-CD2 3.18Å; P54-H251 WeakPolarHBondContact CG-ND1 3.28Å |
| 55 | L | 28.4 | Very low | 27.7 | Very low | 46 Ų | 46 | 91.4 Ų | 91.4 | 24% | 0.241 | 59% | 0.588 | C | S | . | * | trans | -59.8 | 91 | 165 | -55.4 | 177.4 | 0 | 0 | 0 | 108.3 | L57 F208 F225 | L55-L57 PolarHBondContact O-N 3.26Å; L55-F208 HydrophobicContact CD2-CD2 3.99Å; L55-F208 HydrophobicContact CD2-CE2 3.22Å; L55-F208 HydrophobicContact CD2-CZ 3.6Å; L55-F225 HydrophobicContact CD1-CB 3.76Å; L55-F225 HydrophobicContact CD1-CD1 3.88Å; L55-F225 HydrophobicContact CD1-CD2 3.88Å; L55-F225 HydrophobicContact CD1-CE1 4.42Å; L55-F225 HydrophobicContact CD1-CE2 4.43Å; L55-F225 HydrophobicContact CD1-CG 3.57Å | ||
| 56 | Q | 28.2 | Very low | 27.5 | Very low | 133 Ų | 133 | 89.5 Ų | 89.5 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | trans | -65 | 108.2 | 170.4 | -83.8 | -166.9 | -53.6 | 0 | 0 | 107.1 | P54 H58 | P54-Q56 PolarHBondContact O-N 3.11Å; Q56-H58 HydrophobicContact CB-CB 4.45Å; Q56-H58 PolarHBondContact O-N 2.98Å | ||
| 57 | L | 32.4 | Very low | 27.3 | Very low | 60 Ų | 60 | 89.4 Ų | 89.4 | 31% | 0.314 | 59% | 0.594 | S | S | . | * | trans | -76 | 66.1 | -176.5 | -156.9 | 71.5 | 0 | 0 | 0 | 109.6 | L55 S59 F76 | L55-L57 PolarHBondContact O-N 3.26Å; L57-S59 WeakPolarHBondContact CA-OG 3.39Å; L57-F76 WeakPolarHBondContact O-CE2 3.24Å | ||
| 58 | H | 29.6 | Very low | 26.7 | Very low | 58 Ų | 58 | 87.5 Ų | 87.5 | 27% | 0.269 | 59% | 0.585 | S | S | . | * | trans | -135.1 | 36.3 | -165.9 | -63.3 | -12.8 | 0 | 0 | 0 | 114.7 | Q56 G75 F76 | Q56-H58 HydrophobicContact CB-CB 4.45Å; Q56-H58 PolarHBondContact O-N 2.98Å; H58-G75 CarbonylContact O-C 3.56Å; H58-G75 WeakPolarHBondContact O-CA 3.37Å; H58-G75 PolarHBondContact O-N 2.65Å; H58-F76 PolarHBondContact O-N 3.06Å; H58-F76 VanDerWaalsContact O-N 3.11Å | ||
| 59 | S | 25.2 | Very low | 26.5 | Very low | 53 Ų | 53 | 91.2 Ų | 91.2 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | cis | 90.8 | -88.9 | 30.6 | -43.9 | 0 | 0 | 0 | 0 | 118.2 | L57 G77 | L57-S59 WeakPolarHBondContact CA-OG 3.39Å; S59-G77 VanDerWaalsContact C-N 3.27Å; S59-G77 CarbonylContact O-C 3.53Å; S59-G77 WeakPolarHBondContact O-CA 3.31Å; S59-G77 PolarHBondContact O-N 2.7Å | ||
| 60 | L | 29.1 | Very low | 26.2 | Very low | 72 Ų | 72 | 88.7 Ų | 88.7 | 38% | 0.377 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -132.1 | 52.5 | -150.5 | -67.1 | -177.5 | 0 | 0 | 0 | 122 | F76 L78 | L60-F76 VanDerWaalsContact C-CD1 3.41Å; L60-F76 HydrophobicContact CB-CD2 4.35Å; L60-F76 HydrophobicContact CB-CE2 3.89Å; L60-F76 HydrophobicContact CB-CZ 3.99Å; L60-F76 WeakPolarHBondContact O-CE1 3.26Å; L60-L78 HydrophobicContact CB-CD1 4.46Å; L60-L78 HydrophobicContact CB-CD2 4.25Å; L60-L78 HydrophobicContact CB-CG 3.78Å; L60-L78 HydrophobicContact CD1-CD2 4.48Å; L60-L78 HydrophobicContact CD2-CD2 3.79Å; L60-L78 HydrophobicContact CD2-CG 3.96Å; L60-L78 HydrophobicContact CG-CD2 4.36Å; L60-L78 HydrophobicContact CG-CG 4.36Å; L60-L78 WeakPolarHBondContact O-CD1 3.28Å; L60-L78 VanDerWaalsContact O-CG 3.28Å; L60-L78 WeakPolarHBondContact O-CG 3.5Å |
| 61 | H | 26.7 | Very low | 26.1 | Very low | 84 Ų | 84 | 93 Ų | 93 | 39% | 0.389 | 60% | 0.603 | S | S | . | * | trans | -177.8 | 126.6 | 164.1 | -120.6 | 84.9 | 0 | 0 | 0 | 116 | F76 G77 | H61-F76 CarbonylContact C-O 3.51Å; H61-F76 VanDerWaalsContact C-O 3.25Å; H61-F76 HydrophobicContact CB-CB 4.38Å; H61-F76 HydrophobicContact CB-CD1 3.18Å; H61-F76 HydrophobicContact CB-CE1 3.66Å; H61-F76 HydrophobicContact CB-CG 4.07Å; H61-F76 VanDerWaalsContact N-CD1 3.26Å; H61-F76 VanDerWaalsContact N-CG 3.32Å; H61-F76 CarbonylContact O-C 3.54Å; H61-F76 WeakPolarHBondContact O-CB 3.25Å; H61-G77 VanDerWaalsContact N-CA 3.29Å | ||
| 62 | G | 24.5 | Very low | 26.1 | Very low | 62 Ų | 62 | 92.8 Ų | 92.8 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | trans | -120.3 | 163 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 63 | T | 23.5 | Very low | 26.1 | Very low | 145 Ų | 145 | 95.3 Ų | 95.3 | 89% | 0.89 | 63% | 0.627 | S | S | * | * | trans | -132.5 | 160.7 | 174.2 | 39.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 64 | I | 26.1 | Very low | 26.1 | Very low | 177 Ų | 177 | 96.1 Ų | 96.1 | 91% | 0.908 | 64% | 0.641 | S | S | * | * | trans | -94.2 | 128.8 | -169.5 | -63.7 | 168.8 | 0 | 0 | 0 | 112 | ||||
| 65 | G | 23.5 | Very low | 26.1 | Very low | 68 Ų | 68 | 96 Ų | 96 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | trans | 109.8 | 134.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 66 | S | 22.7 | Very low | 26 | Very low | 139 Ų | 139 | 96.2 Ų | 96.2 | 97% | 0.972 | 65% | 0.647 | S | S | * | * | trans | 86.7 | 153.1 | 164.5 | -143.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 67 | A | 23.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 91.8 Ų | 91.8 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | trans | -121.1 | 152 | -156.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 68 | G | 21.1 | Very low | 25.8 | Very low | 69 Ų | 69 | 92.2 Ų | 92.2 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | trans | 155.4 | 108.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 69 | L | 23.5 | Very low | 25.9 | Very low | 182 Ų | 182 | 92.6 Ų | 92.6 | 95% | 0.953 | 65% | 0.648 | S | S | * | * | trans | 18.4 | 123.8 | 161.4 | -73.6 | 81.7 | 0 | 0 | 0 | 120.7 | ||||
| 70 | G | 22.9 | Very low | 26 | Very low | 65 Ų | 65 | 97.7 Ų | 97.7 | 67% | 0.67 | 67% | 0.671 | S | S | * | * | 106.3 | 143 | 127.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 71 | T | 23.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 97.3 Ų | 97.3 | 95% | 0.951 | 67% | 0.673 | S | S | * | * | trans | 68.1 | 147.2 | -179.9 | 8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 72 | G | 30.5 | Very low | 27.1 | Very low | 68 Ų | 68 | 96.9 Ų | 96.9 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | trans | -83.1 | -167.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 73 | V | 28.9 | Very low | 28 | Very low | 134 Ų | 134 | 98.6 Ų | 98.6 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | 81.5 | 77.8 | -173.2 | -165 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 74 | A | 26.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 95.7 Ų | 95.7 | 87% | 0.868 | 67% | 0.67 | S | S | * | * | trans | -87.1 | 127.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 75 | G | 28.5 | Very low | 30 | Very low | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | cis | 132.3 | 118.9 | 11 | 0 | 0 | 0 | 0 | 0 | 107.6 | H58 G77 | H58-G75 CarbonylContact O-C 3.56Å; H58-G75 WeakPolarHBondContact O-CA 3.37Å; H58-G75 PolarHBondContact O-N 2.65Å; G75-G77 PolarHBondContact O-N 3.18Å | ||
| 76 | F | 25.7 | Very low | 31.2 | Very low | 49 Ų | 49 | 88.5 Ų | 88.5 | 22% | 0.215 | 63% | 0.625 | C | S | . | * | trans | -55.1 | 131.9 | -177.2 | -137.1 | -139.8 | 0 | 0 | 0 | 109.2 | L57 H58 L60 H61 R320 | L57-F76 WeakPolarHBondContact O-CE2 3.24Å; H58-F76 PolarHBondContact O-N 3.06Å; H58-F76 VanDerWaalsContact O-N 3.11Å; L60-F76 VanDerWaalsContact C-CD1 3.41Å; L60-F76 HydrophobicContact CB-CD2 4.35Å; L60-F76 HydrophobicContact CB-CE2 3.89Å; L60-F76 HydrophobicContact CB-CZ 3.99Å; L60-F76 WeakPolarHBondContact O-CE1 3.26Å; H61-F76 CarbonylContact C-O 3.51Å; H61-F76 VanDerWaalsContact C-O 3.25Å; H61-F76 HydrophobicContact CB-CB 4.38Å; H61-F76 HydrophobicContact CB-CD1 3.18Å; H61-F76 HydrophobicContact CB-CE1 3.66Å; H61-F76 HydrophobicContact CB-CG 4.07Å; H61-F76 VanDerWaalsContact N-CD1 3.26Å; H61-F76 VanDerWaalsContact N-CG 3.32Å; H61-F76 CarbonylContact O-C 3.54Å; H61-F76 WeakPolarHBondContact O-CB 3.25Å; F76-R320 HydrophobicContact CD1-CB 4.34Å; F76-R320 HydrophobicContact CD1-CG 3.37Å; F76-R320 HydrophobicContact CE1-CB 3.84Å; F76-R320 HydrophobicContact CE1-CG 3.36Å; F76-R320 HydrophobicContact CG-CG 4.4Å; F76-R320 HydrophobicContact CZ-CG 4.34Å | ||
| 77 | G | 25.4 | Very low | 32.5 | Very low | 40 Ų | 40 | 86 Ų | 86 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | trans | -167 | 105.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | S59 H61 G75 | S59-G77 VanDerWaalsContact C-N 3.27Å; S59-G77 CarbonylContact O-C 3.53Å; S59-G77 WeakPolarHBondContact O-CA 3.31Å; S59-G77 PolarHBondContact O-N 2.7Å; H61-G77 VanDerWaalsContact N-CA 3.29Å; G75-G77 PolarHBondContact O-N 3.18Å | ||
| 78 | L | 32.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 87.7 Ų | 87.7 | 36% | 0.361 | 59% | 0.589 | S | S | . | * | trans | -72.4 | 148.8 | -172.4 | -107.4 | 156.5 | 0 | 0 | 0 | 115.4 | L60 | L60-L78 HydrophobicContact CB-CD1 4.46Å; L60-L78 HydrophobicContact CB-CD2 4.25Å; L60-L78 HydrophobicContact CB-CG 3.78Å; L60-L78 HydrophobicContact CD1-CD2 4.48Å; L60-L78 HydrophobicContact CD2-CD2 3.79Å; L60-L78 HydrophobicContact CD2-CG 3.96Å; L60-L78 HydrophobicContact CG-CD2 4.36Å; L60-L78 HydrophobicContact CG-CG 4.36Å; L60-L78 WeakPolarHBondContact O-CD1 3.28Å; L60-L78 VanDerWaalsContact O-CG 3.28Å; L60-L78 WeakPolarHBondContact O-CG 3.5Å | ||
| 79 | C | 31 | Very low | 35.1 | Very low | 67 Ų | 67 | 89.9 Ų | 89.9 | 45% | 0.453 | 58% | 0.581 | S | S | . | * | trans | 61.1 | 118.3 | 153.4 | -67 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 80 | N | 27.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 82 Ų | 82 | 85% | 0.85 | 54% | 0.542 | S | S | * | . | -77.1 | 120.7 | 128.8 | -169 | 10.5 | 0 | 0 | 0 | 107.1 | G82 | N80-G82 PolarHBondContact O-N 3.07Š| |||
| 81 | P | 34.9 | Very low | 37.8 | Very low | 64 Ų | 64 | 83 Ų | 83 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | trans | -67.9 | 111.9 | -178 | 26.7 | -34.6 | 0 | 0 | 0 | 110.7 | N83 P84 | P81-N83 PolarHBondContact O-N 3.42Å; P81-P84 HydrophobicContact CB-CB 4.08Å; P81-P84 HydrophobicContact CG-CB 4.32Å; P81-P84 HydrophobicContact CG-CG 4.48Å | ||
| 82 | G | 43.4 | Very low | 39.4 | Very low | 75 Ų | 75 | 79 Ų | 79 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -60.7 | 82.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | N80 | N80-G82 PolarHBondContact O-N 3.07Š|
| 83 | N | 42.4 | Very low | 40.6 | Very low | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | trans | 56.2 | 105 | -170.6 | -164.1 | -6.7 | 0 | 0 | 0 | 114.7 | P81 A85 V86 | P81-N83 PolarHBondContact O-N 3.42Å; N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 WeakPolarHBondContact OD1-CB 3.46Å; N83-A85 PolarHBondContact OD1-N 2.96Å; N83-A85 VanDerWaalsContact OD1-N 3.15Å; N83-V86 HydrophobicContact CB-CG2 4.11Å; N83-V86 PolarHBondContact O-N 3.36Å | ||
| 84 | P | 47.1 | Very low | 41.9 | Very low | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -16.7 | 178.7 | 25.8 | -33.7 | 0 | 0 | 0 | 113.4 | P81 V86 K88 | P81-P84 HydrophobicContact CB-CB 4.08Å; P81-P84 HydrophobicContact CG-CB 4.32Å; P81-P84 HydrophobicContact CG-CG 4.48Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.07Å; P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.28Å; P84-K88 VanDerWaalsContact O-N 3.15Å |
| 85 | A | 45.8 | Very low | 43.5 | Very low | 50 Ų | 50 | 72.8 Ų | 72.8 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N83 K88 E89 | N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 WeakPolarHBondContact OD1-CB 3.46Å; N83-A85 PolarHBondContact OD1-N 2.96Å; N83-A85 VanDerWaalsContact OD1-N 3.15Å; A85-K88 PolarHBondContact O-N 3.23Å; A85-E89 VanDerWaalsContact O-CB 3.22Å; A85-E89 WeakPolarHBondContact O-CB 3.42Å; A85-E89 PolarHBondContact O-N 3.06Å |
| 86 | V | 49.1 | Very low | 44.7 | Very low | 44 Ų | 44 | 76.7 Ų | 76.7 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.8 | -39 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | N83 P84 E89 A90 | N83-V86 HydrophobicContact CB-CG2 4.11Å; N83-V86 PolarHBondContact O-N 3.36Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.07Å; V86-E89 PolarHBondContact O-N 3.16Å; V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 2.69Å |
| 87 | L | 48.6 | Very low | 46 | Very low | 86 Ų | 86 | 77.8 Ų | 77.8 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.3 | -157.8 | 89.3 | 0 | 0 | 0 | 110.9 | V91 F184 | L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.87Å; L87-V91 VanDerWaalsContact O-N 3.08Å; L87-F184 HydrophobicContact CD1-CE2 3.52Å; L87-F184 HydrophobicContact CD1-CZ 3.51Å |
| 88 | K | 48 | Very low | 47.3 | Very low | 136 Ų | 136 | 78.2 Ų | 78.2 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 175.8 | 179.8 | 175.8 | 170.4 | -179.7 | 0 | 111.4 | P84 A85 V91 E92 | P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.28Å; P84-K88 VanDerWaalsContact O-N 3.15Å; A85-K88 PolarHBondContact O-N 3.23Å; K88-V91 PolarHBondContact O-N 3.42Å; K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.34Å; K88-E92 WeakPolarHBondContact CG-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.28Å; K88-E92 WeakPolarHBondContact O-CG 3.46Å; K88-E92 PolarHBondContact O-N 2.72Å |
| 89 | E | 51.3 | Low | 48.2 | Very low | 115 Ų | 115 | 78 Ų | 78 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 178.5 | -178.3 | 174.2 | -162.6 | 0 | 0 | 112 | A85 V86 E92 A93 | A85-E89 VanDerWaalsContact O-CB 3.22Å; A85-E89 WeakPolarHBondContact O-CB 3.42Å; A85-E89 PolarHBondContact O-N 3.06Å; V86-E89 PolarHBondContact O-N 3.16Å; E89-E92 PolarHBondContact O-N 3.01Å; E89-A93 WeakPolarHBondContact O-CB 3.45Å; E89-A93 PolarHBondContact O-N 3.17Å |
| 90 | A | 51.1 | Low | 49.1 | Very low | 17 Ų | 17 | 83 Ų | 83 | 14% | 0.14 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V86 E92 A93 V94 | V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 2.69Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 2.61Å; A90-A93 PolarHBondContact O-N 3.44Å; A90-V94 VanDerWaalsContact O-CG2 3.26Å; A90-V94 WeakPolarHBondContact O-CG2 3.15Å; A90-V94 PolarHBondContact O-N 3.37Å |
| 91 | V | 53 | Low | 49.9 | Very low | 84 Ų | 84 | 83.2 Ų | 83.2 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -40 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | L87 K88 V94 V95 | L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.87Å; L87-V91 VanDerWaalsContact O-N 3.08Å; K88-V91 PolarHBondContact O-N 3.42Å; V91-V94 PolarHBondContact O-N 2.84Å; V91-V95 VanDerWaalsContact O-CG2 3.3Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.22Å |
| 92 | E | 54.9 | Low | 50.4 | Low | 73 Ų | 73 | 83 Ų | 83 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 175.3 | -78.3 | -177.6 | -167.1 | 0 | 0 | 113.1 | K88 E89 A90 V94 V95 R96 | K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.34Å; K88-E92 WeakPolarHBondContact CG-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.28Å; K88-E92 WeakPolarHBondContact O-CG 3.46Å; K88-E92 PolarHBondContact O-N 2.72Å; E89-E92 PolarHBondContact O-N 3.01Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 2.61Å; E92-V94 VanDerWaalsContact C-N 3.29Å; E92-V95 PolarHBondContact O-N 3.38Å; E92-R96 WeakPolarHBondContact O-CB 3.47Å; E92-R96 WeakPolarHBondContact O-CG 3.37Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 PolarHBondContact O-NE 3.33Å; E92-R96 IonicContact OE2-CZ 2.71Å; E92-R96 IonicContact OE2-NE 3.7Å; E92-R96 IonicContact OE2-NH2 3.77Å; E92-R96 PolarHBondContact OE2-NH2 3.07Å |
| 93 | A | 55.9 | Low | 50.3 | Low | 46 Ų | 46 | 89 Ų | 89 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E89 A90 R96 S97 | E89-A93 WeakPolarHBondContact O-CB 3.45Å; E89-A93 PolarHBondContact O-N 3.17Å; A90-A93 PolarHBondContact O-N 3.44Å; A93-R96 PolarHBondContact O-N 3.26Å; A93-S97 VanDerWaalsContact O-CB 3.28Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.5Å |
| 94 | V | 57.3 | Low | 50.1 | Low | 40 Ų | 40 | 86.7 Ų | 86.7 | 24% | 0.242 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 171.5 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | A90 V91 E92 R96 S97 F98 V183 | A90-V94 VanDerWaalsContact O-CG2 3.26Å; A90-V94 WeakPolarHBondContact O-CG2 3.15Å; A90-V94 PolarHBondContact O-N 3.37Å; V91-V94 PolarHBondContact O-N 2.84Å; E92-V94 VanDerWaalsContact C-N 3.29Å; V94-R96 VanDerWaalsContact C-N 3.33Å; V94-R96 PolarHBondContact O-N 3.4Å; V94-S97 PolarHBondContact O-N 3.29Å; V94-F98 HydrophobicContact CG1-CD2 3.76Å; V94-F98 HydrophobicContact CG1-CE2 3.39Å; V94-F98 HydrophobicContact CG1-CZ 4.45Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 PolarHBondContact O-N 3.27Å; V94-V183 HydrophobicContact CG1-CG1 4.42Å; V94-V183 HydrophobicContact CG2-CB 4.1Å; V94-V183 HydrophobicContact CG2-CG1 3.31Å |
| 95 | V | 59.1 | Low | 49.6 | Very low | 90 Ų | 90 | 94.9 Ų | 94.9 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | V91 E92 F98 A99 | V91-V95 VanDerWaalsContact O-CG2 3.3Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.22Å; E92-V95 PolarHBondContact O-N 3.38Å; V95-F98 PolarHBondContact O-N 2.94Å; V95-A99 VanDerWaalsContact O-CB 3.32Å; V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 2.88Å |
| 96 | R | 55.2 | Low | 49.5 | Very low | 124 Ų | 124 | 95.2 Ų | 95.2 | 47% | 0.468 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 176 | -77.3 | -179.8 | -107.2 | 146.3 | -9.8 | 112.2 | E92 A93 V94 K100 | E92-R96 WeakPolarHBondContact O-CB 3.47Å; E92-R96 WeakPolarHBondContact O-CG 3.37Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 PolarHBondContact O-NE 3.33Å; E92-R96 IonicContact OE2-CZ 2.71Å; E92-R96 IonicContact OE2-NE 3.7Å; E92-R96 IonicContact OE2-NH2 3.77Å; E92-R96 PolarHBondContact OE2-NH2 3.07Å; A93-R96 PolarHBondContact O-N 3.26Å; V94-R96 VanDerWaalsContact C-N 3.33Å; V94-R96 PolarHBondContact O-N 3.4Å; R96-K100 WeakPolarHBondContact O-CG 3.28Å; R96-K100 PolarHBondContact O-N 3.48Å; R96-K100 VanDerWaalsContact O-N 3.08Å |
| 97 | S | 52.5 | Low | 49.9 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 174.2 | -164.3 | 0 | 0 | 0 | 0 | 110.8 | A93 V94 K100 H101 | A93-S97 VanDerWaalsContact O-CB 3.28Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-N 3.29Å; S97-K100 PolarHBondContact O-N 3.33Å; S97-H101 PolarHBondContact O-N 3.23Å |
| 98 | F | 53.1 | Low | 50.6 | Low | 49 Ų | 49 | 103.8 Ų | 103.8 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 173.4 | -73.1 | -53.1 | 0 | 0 | 0 | 112.4 | V94 V95 K100 H101 T102 V108 A113 L179 | V94-F98 HydrophobicContact CG1-CD2 3.76Å; V94-F98 HydrophobicContact CG1-CE2 3.39Å; V94-F98 HydrophobicContact CG1-CZ 4.45Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 PolarHBondContact O-N 3.27Å; V95-F98 PolarHBondContact O-N 2.94Å; F98-K100 PolarHBondContact O-N 3.18Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.14Å; F98-T102 PolarHBondContact O-N 2.84Å; F98-T102 PolarHBondContact O-OG1 3.24Å; F98-T102 VanDerWaalsContact O-OG1 3.07Å; F98-V108 HydrophobicContact CB-CG2 4.22Å; F98-V108 HydrophobicContact CD1-CG1 4.19Å; F98-V108 HydrophobicContact CG-CG1 4.34Å; F98-A113 HydrophobicContact CD1-CB 4.33Å; F98-A113 HydrophobicContact CE1-CB 3.59Å; F98-A113 HydrophobicContact CZ-CB 4.08Å; F98-L179 HydrophobicContact CE2-CD2 4.2Å; F98-L179 HydrophobicContact CZ-CD1 4.12Å; F98-L179 HydrophobicContact CZ-CD2 3.86Å; F98-L179 HydrophobicContact CZ-CG 4.32Å |
| 99 | A | 49.8 | Very low | 52.4 | Low | 63 Ų | 63 | 100.3 Ų | 100.3 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V95 | V95-A99 VanDerWaalsContact O-CB 3.32Å; V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 2.88Å |
| 100 | K | 50.2 | Low | 54.1 | Low | 174 Ų | 174 | 96.4 Ų | 96.4 | 76% | 0.757 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.8 | -30.5 | 175.6 | -78.5 | -177.7 | 176.1 | -173.3 | 0 | 113.7 | R96 S97 F98 | R96-K100 WeakPolarHBondContact O-CG 3.28Å; R96-K100 PolarHBondContact O-N 3.48Å; R96-K100 VanDerWaalsContact O-N 3.08Å; S97-K100 PolarHBondContact O-N 3.33Å; F98-K100 PolarHBondContact O-N 3.18Å |
| 101 | H | 45.4 | Very low | 56 | Low | 163 Ų | 163 | 96.7 Ų | 96.7 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -83.1 | -24.4 | 175.2 | -94 | -91.1 | 0 | 0 | 0 | 113.1 | S97 F98 Q103 | S97-H101 PolarHBondContact O-N 3.23Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.14Å; H101-Q103 PolarHBondContact O-N 3.4Å |
| 102 | T | 44.7 | Very low | 57.8 | Low | 60 Ų | 60 | 98.2 Ų | 98.2 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | trans | -88.4 | 69.1 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | F98 G104 V108 | F98-T102 PolarHBondContact O-N 2.84Å; F98-T102 PolarHBondContact O-OG1 3.24Å; F98-T102 VanDerWaalsContact O-OG1 3.07Å; T102-G104 PolarHBondContact O-N 3.45Å; T102-V108 HydrophobicContact CG2-CG2 4.19Å | ||
| 103 | Q | 41.7 | Very low | 59.4 | Low | 199 Ų | 199 | 95 Ų | 95 | 93% | 0.93 | 49% | 0.494 | S | S | * | . | trans | -72.9 | 72.6 | 158.3 | -78.7 | -160.9 | -8.5 | 0 | 0 | 110 | H101 | H101-Q103 PolarHBondContact O-N 3.4Š| ||
| 104 | G | 39.2 | Very low | 61.1 | Low | 51 Ų | 51 | 92.8 Ų | 92.8 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 174.9 | 130.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T102 G106 | T102-G104 PolarHBondContact O-N 3.45Å; G104-G106 PolarHBondContact O-N 2.72Å |
| 105 | Y | 36 | Very low | 62.8 | Low | 257 Ų | 257 | 92.8 Ų | 92.8 | 100% | 1.008 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.4 | 95 | 176.8 | -109.1 | -107.7 | 0 | 0 | 0 | 110.4 | ||
| 106 | G | 43.3 | Very low | 64.2 | Low | 57 Ų | 57 | 93.7 Ų | 93.7 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -171.7 | 145.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G104 V108 | G104-G106 PolarHBondContact O-N 2.72Å; G106-V108 PolarHBondContact O-N 2.71Å |
| 107 | R | 57.2 | Low | 65.8 | Low | 251 Ų | 251 | 88.8 Ų | 88.8 | 95% | 0.947 | 45% | 0.454 | S | S | * | . | trans | -62.2 | 131.3 | 176.8 | -70.8 | 176.7 | 175 | 170 | -2.1 | 109.8 | N109 | R107-N109 PolarHBondContact O-N 2.96Š| ||
| 108 | V | 64.3 | Low | 67.6 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | trans | -50 | 121.2 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | F98 T102 G106 V110 A113 | F98-V108 HydrophobicContact CB-CG2 4.22Å; F98-V108 HydrophobicContact CD1-CG1 4.19Å; F98-V108 HydrophobicContact CG-CG1 4.34Å; T102-V108 HydrophobicContact CG2-CG2 4.19Å; G106-V108 PolarHBondContact O-N 2.71Å; V108-V110 PolarHBondContact O-N 3.38Å; V108-V110 VanDerWaalsContact O-N 3.09Å; V108-A113 HydrophobicContact CG1-CB 4.24Å | ||
| 109 | N | 85.3 | Confident | 69.3 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | trans | -77.7 | 95.4 | 174.7 | -172.5 | -7.2 | 0 | 0 | 0 | 109.7 | R107 V111 E112 A113 | R107-N109 PolarHBondContact O-N 2.96Å; N109-V111 PolarHBondContact O-N 2.99Å; N109-V111 PolarHBondContact OD1-N 2.99Å; N109-E112 HydrophobicContact CB-CB 4.24Å; N109-E112 WeakPolarHBondContact CB-OE2 3.47Å; N109-E112 VanDerWaalsContact CG-OE2 3.32Å; N109-E112 PolarHBondContact ND2-OE1 3.4Å; N109-E112 PolarHBondContact ND2-OE2 2.94Å; N109-E112 PolarHBondContact O-N 2.84Å; N109-E112 VanDerWaalsContact O-N 3.16Å; N109-A113 WeakPolarHBondContact O-CB 3.34Å; N109-A113 PolarHBondContact O-N 2.65Å | ||
| 110 | V | 87.8 | Confident | 71.1 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.3 | -21.7 | -177.1 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | V108 L114 R172 A175 L179 | V108-V110 PolarHBondContact O-N 3.38Å; V108-V110 VanDerWaalsContact O-N 3.09Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 PolarHBondContact O-N 2.89Å; V110-R172 HydrophobicContact CG2-CB 4.21Å; V110-R172 HydrophobicContact CG2-CG 4.24Å; V110-A175 HydrophobicContact CG2-CB 4.13Å; V110-L179 HydrophobicContact CB-CD2 4.44Å |
| 111 | V | 90.8 | Very high | 72.8 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -76.7 | -44.9 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | N109 Q115 Y136 R171 R172 A175 | N109-V111 PolarHBondContact O-N 2.99Å; N109-V111 PolarHBondContact OD1-N 2.99Å; V111-Q115 PolarHBondContact O-N 3.45Å; V111-Y136 HydrophobicContact CG1-CE2 4.28Å; V111-R171 HydrophobicContact CG2-CG 4.3Å; V111-R172 HydrophobicContact CG2-CG 4.13Å; V111-A175 HydrophobicContact CG2-CB 3.88Å |
| 112 | E | 90.2 | Very high | 74.7 | Confident | 115 Ų | 115 | 78.8 Ų | 78.8 | 54% | 0.537 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -49.4 | 175.2 | -76.3 | 158.8 | -172 | 0 | 0 | 110.4 | N109 L114 Q115 E116 | N109-E112 HydrophobicContact CB-CB 4.24Å; N109-E112 WeakPolarHBondContact CB-OE2 3.47Å; N109-E112 VanDerWaalsContact CG-OE2 3.32Å; N109-E112 PolarHBondContact ND2-OE1 3.4Å; N109-E112 PolarHBondContact ND2-OE2 2.94Å; N109-E112 PolarHBondContact O-N 2.84Å; N109-E112 VanDerWaalsContact O-N 3.16Å; E112-L114 PolarHBondContact O-N 3.38Å; E112-L114 VanDerWaalsContact O-N 3.13Å; E112-Q115 WeakPolarHBondContact O-CA 3.35Å; E112-Q115 PolarHBondContact O-N 3.38Å; E112-E116 WeakPolarHBondContact O-CG 3.47Å; E112-E116 PolarHBondContact O-N 2.81Å |
| 113 | A | 88.3 | Confident | 76.7 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -53.5 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F98 V108 N109 F117 L179 | F98-A113 HydrophobicContact CD1-CB 4.33Å; F98-A113 HydrophobicContact CE1-CB 3.59Å; F98-A113 HydrophobicContact CZ-CB 4.08Å; V108-A113 HydrophobicContact CG1-CB 4.24Å; N109-A113 WeakPolarHBondContact O-CB 3.34Å; N109-A113 PolarHBondContact O-N 2.65Å; A113-F117 VanDerWaalsContact O-CB 3.3Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.41Å; A113-F117 VanDerWaalsContact O-N 3.07Å; A113-L179 HydrophobicContact CB-CD2 3.89Å |
| 114 | L | 91.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 174.3 | 179.1 | 57.1 | 0 | 0 | 0 | 112.4 | V110 E112 F117 W118 V134 V150 L152 A175 A178 L179 | V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 PolarHBondContact O-N 2.89Å; E112-L114 PolarHBondContact O-N 3.38Å; E112-L114 VanDerWaalsContact O-N 3.13Å; L114-F117 PolarHBondContact O-N 3Å; L114-W118 VanDerWaalsContact O-CD1 3.31Å; L114-W118 PolarHBondContact O-N 3.3Å; L114-V134 HydrophobicContact CD2-CG1 3.93Å; L114-V134 HydrophobicContact CG-CG1 4.2Å; L114-V134 HydrophobicContact CG-CG2 4.23Å; L114-V150 HydrophobicContact CD2-CG2 4.27Å; L114-L152 HydrophobicContact CD1-CD2 4.03Å; L114-L152 HydrophobicContact CD2-CD2 4.2Å; L114-L152 HydrophobicContact CG-CD2 4.47Å; L114-A175 HydrophobicContact CD2-CB 4.24Å; L114-A178 HydrophobicContact CD2-CB 3.72Å; L114-L179 HydrophobicContact CB-CB 4.33Å; L114-L179 HydrophobicContact CB-CD1 4.27Å; L114-L179 HydrophobicContact CD1-CB 4.22Å; L114-L179 HydrophobicContact CD1-CD1 4.16Å |
| 115 | Q | 92.4 | Very high | 80.9 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 178.2 | -173.3 | 54.2 | 84.9 | 0 | 0 | 111.9 | V111 E112 W118 Q119 A132 V134 | V111-Q115 PolarHBondContact O-N 3.45Å; E112-Q115 WeakPolarHBondContact O-CA 3.35Å; E112-Q115 PolarHBondContact O-N 3.38Å; Q115-W118 PolarHBondContact O-N 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.35Å; Q115-Q119 VanDerWaalsContact O-CG 3.31Å; Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.15Å; Q115-A132 PolarHBondContact NE2-O 3.35Å; Q115-V134 VanDerWaalsContact OE1-N 3.11Å |
| 116 | E | 89.4 | Confident | 83 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.9 | -72.1 | 176.7 | 174.1 | 0 | 0 | 111.8 | E112 W118 Q119 M120 | E112-E116 WeakPolarHBondContact O-CG 3.47Å; E112-E116 PolarHBondContact O-N 2.81Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.24Å; E116-Q119 PolarHBondContact O-N 3.35Å; E116-M120 WeakPolarHBondContact O-CB 3.46Å; E116-M120 PolarHBondContact O-N 3.03Å |
| 117 | F | 88.7 | Confident | 84.6 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 10% | 0.096 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 177.6 | 173 | -88.6 | 0 | 0 | 0 | 111.9 | A113 L114 M120 K121 L179 S182 V183 E186 | A113-F117 VanDerWaalsContact O-CB 3.3Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.41Å; A113-F117 VanDerWaalsContact O-N 3.07Å; L114-F117 PolarHBondContact O-N 3Å; F117-M120 HydrophobicContact CD2-CE 4.06Å; F117-M120 HydrophobicContact CE2-CE 4.43Å; F117-M120 PolarHBondContact O-N 2.84Å; F117-K121 HydrophobicContact CE1-CD 4.39Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; F117-L179 HydrophobicContact CB-CD1 4.42Å; F117-S182 WeakPolarHBondContact CZ-O 3.49Å; F117-V183 HydrophobicContact CD2-CG2 3.76Å; F117-V183 HydrophobicContact CE2-CB 4.15Å; F117-V183 HydrophobicContact CE2-CG1 4.14Å; F117-V183 HydrophobicContact CE2-CG2 3.71Å; F117-V183 HydrophobicContact CG-CG2 4.39Å; F117-V183 HydrophobicContact CZ-CG2 4.33Å; F117-E186 HydrophobicContact CE2-CG 4.18Å; F117-E186 HydrophobicContact CZ-CG 3.62Å |
| 118 | W | 89.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.011 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.6 | -33.9 | 179.7 | -78 | 101 | 0 | 0 | 0 | 112.9 | L114 Q115 E116 K121 Q122 L128 A132 V134 L152 P153 S182 L238 | L114-W118 VanDerWaalsContact O-CD1 3.31Å; L114-W118 PolarHBondContact O-N 3.3Å; Q115-W118 PolarHBondContact O-N 3.29Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.24Å; W118-K121 HydrophobicContact CE3-CD 3.93Å; W118-K121 HydrophobicContact CH2-CD 4.39Å; W118-K121 HydrophobicContact CZ3-CD 3.75Å; W118-K121 PolarHBondContact O-N 3.45Å; W118-Q122 PolarHBondContact O-N 2.99Å; W118-L128 HydrophobicContact CE3-CD1 4.11Å; W118-L128 HydrophobicContact CE3-CD2 4.36Å; W118-L128 HydrophobicContact CZ3-CD2 3.99Å; W118-A132 HydrophobicContact CB-CB 4.27Å; W118-A132 WeakPolarHBondContact O-CB 3.21Å; W118-V134 HydrophobicContact CB-CG2 4.22Å; W118-V134 HydrophobicContact CG-CG2 4.1Å; W118-L152 HydrophobicContact CZ2-CB 4.03Å; W118-L152 HydrophobicContact CZ2-CD1 4Å; W118-L152 HydrophobicContact CZ2-CG 4.46Å; W118-P153 HydrophobicContact CB-CG 4.32Å; W118-P153 HydrophobicContact CD2-CB 4.31Å; W118-P153 HydrophobicContact CD2-CG 3.84Å; W118-P153 HydrophobicContact CE3-CB 3.68Å; W118-P153 HydrophobicContact CE3-CG 3.66Å; W118-P153 HydrophobicContact CG-CG 4.11Å; W118-P153 VanDerWaalsContact CH2-O 3.31Å; W118-P153 WeakPolarHBondContact CH2-O 3.32Å; W118-P153 HydrophobicContact CZ3-CB 3.78Å; W118-P153 HydrophobicContact CZ3-CG 4.24Å; W118-S182 PolarHBondContact NE1-OG 3.27Å; W118-L238 HydrophobicContact CH2-CD2 3.72Å; W118-L238 HydrophobicContact CZ2-CD2 4.27Å |
| 119 | Q | 89.9 | Confident | 85.8 | Confident | 104 Ų | 104 | 70 Ų | 70 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 172.1 | -75.8 | 170.6 | -6.5 | 0 | 0 | 111.9 | Q115 E116 K121 Q122 S123 A132 | Q115-Q119 WeakPolarHBondContact O-CB 3.35Å; Q115-Q119 VanDerWaalsContact O-CG 3.31Å; Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.15Å; E116-Q119 PolarHBondContact O-N 3.35Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.45Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q119-S123 PolarHBondContact O-N 3.2Å; Q119-A132 HydrophobicContact CG-CB 4.11Å |
| 120 | M | 87 | Confident | 85.1 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 173.6 | 178.5 | -167.3 | 63.3 | 0 | 0 | 111.6 | E116 F117 S123 R124 | E116-M120 WeakPolarHBondContact O-CB 3.46Å; E116-M120 PolarHBondContact O-N 3.03Å; F117-M120 HydrophobicContact CD2-CE 4.06Å; F117-M120 HydrophobicContact CE2-CE 4.43Å; F117-M120 PolarHBondContact O-N 2.84Å; M120-S123 PolarHBondContact O-N 3.03Å; M120-S123 PolarHBondContact O-OG 3.47Å; M120-S123 VanDerWaalsContact O-OG 3.07Å; M120-R124 VanDerWaalsContact O-CG 3.26Å; M120-R124 WeakPolarHBondContact O-CG 3.5Å; M120-R124 PolarHBondContact O-N 3.09Å; M120-R124 PolarHBondContact SD-NH2 2.81Å; M120-R124 VanDerWaalsContact SD-NH2 3.37Å |
| 121 | K | 84.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.6 | -178.6 | 164.6 | 174.1 | 171.8 | 0 | 111.4 | F117 W118 Q119 R124 A126 E186 | F117-K121 HydrophobicContact CE1-CD 4.39Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; W118-K121 HydrophobicContact CE3-CD 3.93Å; W118-K121 HydrophobicContact CH2-CD 4.39Å; W118-K121 HydrophobicContact CZ3-CD 3.75Å; W118-K121 PolarHBondContact O-N 3.45Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.45Å; K121-R124 PolarHBondContact O-N 2.79Å; K121-A126 HydrophobicContact CG-CB 3.59Å; K121-A126 VanDerWaalsContact O-CB 3.24Å; K121-A126 WeakPolarHBondContact O-CB 3.32Å; K121-A126 PolarHBondContact O-N 2.99Å; K121-E186 VanDerWaalsContact CE-OE1 3.27Å; K121-E186 WeakPolarHBondContact CE-OE1 3.46Å; K121-E186 IonicContact NZ-OE1 3.86Å; K121-E186 PolarHBondContact NZ-OE1 3.44Å |
| 122 | Q | 86.9 | Confident | 84.4 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 173.9 | -167.4 | 178.2 | 16.6 | 0 | 0 | 112.4 | W118 Q119 R124 G125 L128 A132 | W118-Q122 PolarHBondContact O-N 2.99Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q122-R124 PolarHBondContact O-N 3.07Å; Q122-R124 VanDerWaalsContact O-N 3.15Å; Q122-G125 PolarHBondContact O-N 3.41Å; Q122-L128 HydrophobicContact CB-CD1 3.91Å; Q122-L128 HydrophobicContact CG-CD1 4.32Å; Q122-A132 HydrophobicContact CB-CB 3.97Å |
| 123 | S | 86.7 | Confident | 84.3 | Confident | 100 Ų | 100 | 73 Ų | 73 | 70% | 0.699 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.7 | -15.6 | 179.3 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | Q119 M120 G125 | Q119-S123 PolarHBondContact O-N 3.2Å; M120-S123 PolarHBondContact O-N 3.03Å; M120-S123 PolarHBondContact O-OG 3.47Å; M120-S123 VanDerWaalsContact O-OG 3.07Å; S123-G125 VanDerWaalsContact C-N 3.33Å |
| 124 | R | 86.5 | Confident | 84.6 | Confident | 191 Ų | 191 | 73 Ų | 73 | 72% | 0.721 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.2 | 171.4 | -70.7 | 172.5 | -178.5 | -162.4 | 1.7 | 113.5 | M120 K121 Q122 | M120-R124 VanDerWaalsContact O-CG 3.26Å; M120-R124 WeakPolarHBondContact O-CG 3.5Å; M120-R124 PolarHBondContact O-N 3.09Å; M120-R124 PolarHBondContact SD-NH2 2.81Å; M120-R124 VanDerWaalsContact SD-NH2 3.37Å; K121-R124 PolarHBondContact O-N 2.79Å; Q122-R124 PolarHBondContact O-N 3.07Å; Q122-R124 VanDerWaalsContact O-N 3.15Å |
| 125 | G | 81.1 | Confident | 84.8 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 71% | 0.711 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 21 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q122 S123 D127 | Q122-G125 PolarHBondContact O-N 3.41Å; S123-G125 VanDerWaalsContact C-N 3.33Å; G125-D127 PolarHBondContact O-N 3.05Å |
| 126 | A | 80.8 | Confident | 85 | Confident | 31 Ų | 31 | 77 Ų | 77 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | trans | -66.5 | 129.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K121 L128 | K121-A126 HydrophobicContact CG-CB 3.59Å; K121-A126 VanDerWaalsContact O-CB 3.24Å; K121-A126 WeakPolarHBondContact O-CB 3.32Å; K121-A126 PolarHBondContact O-N 2.99Å; A126-L128 HydrophobicContact CB-CD2 4.34Å; A126-L128 HydrophobicContact CB-CG 4.33Å; A126-L128 PolarHBondContact O-N 3.15Å | ||
| 127 | D | 76.5 | Confident | 85.3 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 74% | 0.743 | 40% | 0.395 | S | S | * | . | trans | -71.7 | 97.6 | 174.6 | -177.7 | 18.4 | 0 | 0 | 0 | 110.2 | G125 | G125-D127 PolarHBondContact O-N 3.05Š| ||
| 128 | L | 80.4 | Confident | 85.7 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | trans | -111.1 | 94.8 | 176 | -55.8 | -175.5 | 0 | 0 | 0 | 108.2 | W118 Q122 A126 N130 G131 A132 P153 | W118-L128 HydrophobicContact CE3-CD1 4.11Å; W118-L128 HydrophobicContact CE3-CD2 4.36Å; W118-L128 HydrophobicContact CZ3-CD2 3.99Å; Q122-L128 HydrophobicContact CB-CD1 3.91Å; Q122-L128 HydrophobicContact CG-CD1 4.32Å; A126-L128 HydrophobicContact CB-CD2 4.34Å; A126-L128 HydrophobicContact CB-CG 4.33Å; A126-L128 PolarHBondContact O-N 3.15Å; L128-N130 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3.2Å; L128-A132 HydrophobicContact CD1-CB 4.12Å; L128-P153 HydrophobicContact CD1-CB 3.99Å; L128-P153 HydrophobicContact CD1-CG 4.42Å; L128-P153 HydrophobicContact CD2-CB 4.01Å; L128-P153 HydrophobicContact CG-CB 4.42Å | ||
| 129 | R | 67.4 | Low | 85.9 | Confident | 193 Ų | 193 | 79.9 Ų | 79.9 | 73% | 0.728 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -35.9 | -177.2 | -68.1 | -173.7 | 176.2 | -171.6 | 0.1 | 114.3 | ||
| 130 | N | 69.6 | Low | 86.1 | Confident | 155 Ų | 155 | 81 Ų | 81 | 83% | 0.829 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 17.3 | -179.7 | -60.5 | -3.5 | 0 | 0 | 0 | 112.9 | L128 | L128-N130 PolarHBondContact O-N 3.4Š|
| 131 | G | 79.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -175.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L128 L133 P153 | L128-G131 PolarHBondContact O-N 3.2Å; G131-L133 PolarHBondContact O-N 3.48Å; G131-P153 WeakPolarHBondContact O-CB 3.32Å |
| 132 | A | 84.6 | Confident | 86.9 | Confident | 7 Ų | 7 | 84.7 Ų | 84.7 | 6% | 0.058 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 11.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q115 W118 Q119 Q122 L128 V134 | Q115-A132 PolarHBondContact NE2-O 3.35Å; W118-A132 HydrophobicContact CB-CB 4.27Å; W118-A132 WeakPolarHBondContact O-CB 3.21Å; Q119-A132 HydrophobicContact CG-CB 4.11Å; Q122-A132 HydrophobicContact CB-CB 3.97Å; L128-A132 HydrophobicContact CD1-CB 4.12Å; A132-V134 PolarHBondContact O-N 2.88Å |
| 133 | L | 89.3 | Confident | 87.2 | Confident | 117 Ų | 117 | 85.8 Ų | 85.8 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | trans | -71.6 | 124.8 | -171.5 | -175.9 | 61.8 | 0 | 0 | 0 | 111.5 | G131 V135 | G131-L133 PolarHBondContact O-N 3.48Å; L133-V135 HydrophobicContact CD2-CG2 4.42Å; L133-V135 HydrophobicContact CG-CG2 4.34Å | ||
| 134 | V | 93.5 | Very high | 87.5 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.042 | 46% | 0.458 | C | S | . | . | trans | -94 | 112.9 | 172.9 | 179 | 0 | 0 | 0 | 0 | 108.7 | L114 Q115 W118 A132 Y136 V150 L152 | L114-V134 HydrophobicContact CD2-CG1 3.93Å; L114-V134 HydrophobicContact CG-CG1 4.2Å; L114-V134 HydrophobicContact CG-CG2 4.23Å; Q115-V134 VanDerWaalsContact OE1-N 3.11Å; W118-V134 HydrophobicContact CB-CG2 4.22Å; W118-V134 HydrophobicContact CG-CG2 4.1Å; A132-V134 PolarHBondContact O-N 2.88Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD2 4.38Å; V134-Y136 HydrophobicContact CG1-CE2 3.69Å; V134-Y136 WeakPolarHBondContact O-CD2 3.34Å; V134-V150 HydrophobicContact CG1-CG2 3.36Å; V134-L152 HydrophobicContact CG1-CD2 4.1Å; V134-L152 HydrophobicContact CG2-CD2 4.35Å | ||
| 135 | V | 95.1 | Very high | 87.9 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 47% | 0.473 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 135.2 | -175.1 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | L133 V150 S151 | L133-V135 HydrophobicContact CD2-CG2 4.42Å; L133-V135 HydrophobicContact CG-CG2 4.34Å; V135-V150 CarbonylContact O-C 3.52Å; V135-V150 VanDerWaalsContact O-CA 3.28Å; V135-V150 WeakPolarHBondContact O-CA 3.41Å; V135-S151 PolarHBondContact N-O 3.44Å; V135-S151 PolarHBondContact O-N 3.19Å |
| 136 | Y | 96.5 | Very high | 88.6 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.8 | 177 | -68.9 | -91.9 | 0 | 0 | 0 | 110.2 | V111 V134 Y149 V150 R171 A175 | V111-Y136 HydrophobicContact CG1-CE2 4.28Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD2 4.38Å; V134-Y136 HydrophobicContact CG1-CE2 3.69Å; V134-Y136 WeakPolarHBondContact O-CD2 3.34Å; Y136-Y149 WeakPolarHBondContact CA-O 3.36Å; Y136-V150 HydrophobicContact CD1-CB 3.91Å; Y136-V150 HydrophobicContact CD1-CG2 3.83Å; Y136-V150 HydrophobicContact CE1-CB 3.93Å; Y136-V150 HydrophobicContact CE1-CG2 3.56Å; Y136-V150 HydrophobicContact CE2-CG2 4.34Å; Y136-V150 HydrophobicContact CG-CG2 4.35Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CE1-CG 3.74Å; Y136-R171 HydrophobicContact CG-CG 4.23Å; Y136-A175 HydrophobicContact CE1-CB 4.09Å |
| 137 | E | 96.5 | Very high | 89.4 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.8 | 178.6 | -176.6 | -171.7 | 134.3 | 0 | 0 | 108.5 | C148 Y149 K326 | E137-C148 CarbonylContact O-C 3.12Å; E137-C148 WeakPolarHBondContact O-CA 3.31Å; E137-Y149 PolarHBondContact N-O 3.01Å; E137-Y149 PolarHBondContact O-N 2.98Å; E137-K326 IonicContact OE1-NZ 2.82Å; E137-K326 PolarHBondContact OE1-NZ 3.32Å; E137-K326 WeakPolarHBondContact OE2-CE 3.41Å; E137-K326 IonicContact OE2-NZ 2.61Å; E137-K326 PolarHBondContact OE2-NZ 3.45Å |
| 138 | M | 96.3 | Very high | 90.4 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.6 | 174.9 | -75.6 | -63.1 | -41.3 | 0 | 0 | 109.2 | P140 V147 C148 K167 A170 | M138-P140 WeakPolarHBondContact O-CD 3.46Å; M138-V147 WeakPolarHBondContact CE-O 3.48Å; M138-C148 HydrophobicContact CE-CB 4.33Å; M138-C148 HydrophobicContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-SG 3.64Å; M138-K167 HydrophobicContact CE-CB 3.82Å; M138-K167 HydrophobicContact CE-CD 4.36Å; M138-K167 HydrophobicContact CE-CG 3.85Å; M138-K167 HydrophobicContact SD-CB 4.45Å; M138-A170 HydrophobicContact CE-CB 4.22Å |
| 139 | V | 95.3 | Very high | 91.3 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | trans | -64 | 129 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | S141 V147 Y149 | V139-S141 PolarHBondContact O-N 2.94Å; V139-S141 VanDerWaalsContact O-N 3.11Å; V139-V147 HydrophobicContact CB-CB 4.05Å; V139-V147 HydrophobicContact CG2-CB 3.74Å; V139-V147 HydrophobicContact CG2-CG1 3.73Å; V139-V147 PolarHBondContact N-O 3.42Å; V139-Y149 HydrophobicContact CG2-CD2 4.07Å; V139-Y149 HydrophobicContact CG2-CE2 3.54Å | ||
| 140 | P | 94.4 | Very high | 92.7 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 83% | 0.825 | 34% | 0.338 | S | S | * | . | trans | -60.5 | 114.7 | 176.8 | -24.8 | 35.1 | 0 | 0 | 0 | 111.4 | M138 | M138-P140 WeakPolarHBondContact O-CD 3.46Š| ||
| 141 | S | 93.7 | Very high | 93.8 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | trans | -151.9 | 148.9 | 169.3 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | V139 N143 | V139-S141 PolarHBondContact O-N 2.94Å; V139-S141 VanDerWaalsContact O-N 3.11Å; S141-N143 PolarHBondContact OG-N 3.13Å; S141-N143 VanDerWaalsContact OG-N 3.13Å; S141-N143 PolarHBondContact OG-O 3.13Å | ||
| 142 | N | 93.8 | Very high | 94.4 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 79% | 0.791 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -93.6 | -17.4 | 172.2 | -66.5 | -25.3 | 0 | 0 | 0 | 112.5 | Y146 | N142-Y146 PolarHBondContact O-OH 3.34Š|
| 143 | N | 94.4 | Very high | 94.5 | Very high | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -130.7 | 153.4 | -175 | -69.5 | -47.5 | 0 | 0 | 0 | 111.4 | S141 | S141-N143 PolarHBondContact OG-N 3.13Å; S141-N143 VanDerWaalsContact OG-N 3.13Å; S141-N143 PolarHBondContact OG-O 3.13Å |
| 144 | P | 92.1 | Very high | 94.2 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -68.2 | 157.3 | 171.9 | 30.8 | -35.9 | 0 | 0 | 0 | 111.8 | Y146 F163 | P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE2 4.09Å; P144-F163 HydrophobicContact CB-CZ 4.2Å |
| 145 | P | 94.4 | Very high | 93.8 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | S | Bend | cis | -73.6 | 135.8 | 0.7 | 29.6 | -34 | 0 | 0 | 0 | 112.6 | F163 | P145-F163 HydrophobicContact CB-CD2 3.8Å; P145-F163 HydrophobicContact CB-CE2 3.89Å; P145-F163 HydrophobicContact CG-CD2 4.42Å; P145-F163 HydrophobicContact CG-CE2 4.38Å |
| 146 | Y | 97.2 | Very high | 93.6 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 138.6 | 171.6 | -63.9 | -75.8 | 0 | 0 | 0 | 110.5 | N142 P144 C164 P165 T166 K167 A170 | N142-Y146 PolarHBondContact O-OH 3.34Å; P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE2 4.09Å; Y146-C164 PolarHBondContact N-O 3.47Å; Y146-C164 WeakPolarHBondContact O-CB 3.42Å; Y146-P165 WeakPolarHBondContact CD2-O 3.23Å; Y146-P165 VanDerWaalsContact CE2-O 3.26Å; Y146-P165 WeakPolarHBondContact CE2-O 3.24Å; Y146-T166 VanDerWaalsContact CD2-C 3.48Å; Y146-K167 HydrophobicContact CD1-CD 4.27Å; Y146-K167 HydrophobicContact CD1-CG 3.5Å; Y146-K167 VanDerWaalsContact CD1-CG 3.5Å; Y146-K167 HydrophobicContact CD2-CG 4.31Å; Y146-K167 HydrophobicContact CE1-CD 4.28Å; Y146-K167 VanDerWaalsContact CE1-CE 3.44Å; Y146-K167 HydrophobicContact CE1-CG 3.79Å; Y146-K167 HydrophobicContact CG-CG 3.77Å; Y146-A170 WeakPolarHBondContact O-CB 3.45Å |
| 147 | V | 97.3 | Very high | 93.5 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | trans | -115.3 | 135.3 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 110 | M138 V139 Y149 S160 | M138-V147 WeakPolarHBondContact CE-O 3.48Å; V139-V147 HydrophobicContact CB-CB 4.05Å; V139-V147 HydrophobicContact CG2-CB 3.74Å; V139-V147 HydrophobicContact CG2-CG1 3.73Å; V139-V147 PolarHBondContact N-O 3.42Å; V147-Y149 HydrophobicContact CG1-CE1 4.2Å; V147-Y149 HydrophobicContact CG1-CE2 4.02Å; V147-S160 WeakPolarHBondContact CA-OG 3.44Å | ||
| 148 | C | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.3 | 172.4 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | E137 M138 G159 S160 A170 A174 | E137-C148 CarbonylContact O-C 3.12Å; E137-C148 WeakPolarHBondContact O-CA 3.31Å; M138-C148 HydrophobicContact CE-CB 4.33Å; M138-C148 HydrophobicContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-SG 3.64Å; C148-G159 CarbonylContact O-C 3.25Å; C148-G159 VanDerWaalsContact O-CA 3.31Å; C148-G159 WeakPolarHBondContact O-CA 3.33Å; C148-S160 PolarHBondContact N-OG 2.83Å; C148-S160 PolarHBondContact O-N 3.46Å; C148-S160 PolarHBondContact O-OG 3.39Å; C148-A170 HydrophobicContact CB-CB 3.82Å; C148-A174 HydrophobicContact CB-CB 4.26Å; C148-A174 WeakPolarHBondContact O-CB 3.44Å |
| 149 | Y | 97.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 152.2 | 164.5 | -57.6 | -68.7 | 0 | 0 | 0 | 109.9 | Y136 E137 V139 V147 F158 L312 R316 L322 | Y136-Y149 WeakPolarHBondContact CA-O 3.36Å; E137-Y149 PolarHBondContact N-O 3.01Å; E137-Y149 PolarHBondContact O-N 2.98Å; V139-Y149 HydrophobicContact CG2-CD2 4.07Å; V139-Y149 HydrophobicContact CG2-CE2 3.54Å; V147-Y149 HydrophobicContact CG1-CE1 4.2Å; V147-Y149 HydrophobicContact CG1-CE2 4.02Å; Y149-F158 CarbonylContact C-O 3.2Å; Y149-F158 WeakPolarHBondContact CA-O 3.33Å; Y149-L312 HydrophobicContact CE1-CD1 4.41Å; Y149-R316 HydrophobicContact CE1-CG 4.27Å; Y149-L322 HydrophobicContact CD1-CD1 3.75Å; Y149-L322 HydrophobicContact CE1-CD1 3.73Å |
| 150 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | 175 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | L114 V134 V135 Y136 C157 F158 A174 A178 | L114-V150 HydrophobicContact CD2-CG2 4.27Å; V134-V150 HydrophobicContact CG1-CG2 3.36Å; V135-V150 CarbonylContact O-C 3.52Å; V135-V150 VanDerWaalsContact O-CA 3.28Å; V135-V150 WeakPolarHBondContact O-CA 3.41Å; Y136-V150 HydrophobicContact CD1-CB 3.91Å; Y136-V150 HydrophobicContact CD1-CG2 3.83Å; Y136-V150 HydrophobicContact CE1-CB 3.93Å; Y136-V150 HydrophobicContact CE1-CG2 3.56Å; Y136-V150 HydrophobicContact CE2-CG2 4.34Å; Y136-V150 HydrophobicContact CG-CG2 4.35Å; V150-C157 WeakPolarHBondContact O-CA 3.46Å; V150-F158 HydrophobicContact CG1-CB 4.04Å; V150-F158 PolarHBondContact N-O 3.07Å; V150-F158 PolarHBondContact O-N 3.32Å; V150-A174 HydrophobicContact CB-CB 4.23Å; V150-A174 HydrophobicContact CG1-CB 3.83Å; V150-A178 HydrophobicContact CG1-CB 3.46Å; V150-A178 VanDerWaalsContact CG1-CB 3.46Å; V150-A178 HydrophobicContact CG2-CB 4.49Å |
| 151 | S | 94.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.3 | 177.6 | -58 | 0 | 0 | 0 | 0 | 109.3 | V135 | V135-S151 PolarHBondContact N-O 3.44Å; V135-S151 PolarHBondContact O-N 3.19Å |
| 152 | L | 91.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | trans | -92.2 | 156.5 | -178.8 | -60.7 | -177.6 | 0 | 0 | 0 | 111.3 | L114 W118 V134 G154 G155 S156 F158 A178 S182 | L114-L152 HydrophobicContact CD1-CD2 4.03Å; L114-L152 HydrophobicContact CD2-CD2 4.2Å; L114-L152 HydrophobicContact CG-CD2 4.47Å; W118-L152 HydrophobicContact CZ2-CB 4.03Å; W118-L152 HydrophobicContact CZ2-CD1 4Å; W118-L152 HydrophobicContact CZ2-CG 4.46Å; V134-L152 HydrophobicContact CG1-CD2 4.1Å; V134-L152 HydrophobicContact CG2-CD2 4.35Å; L152-G154 PolarHBondContact O-N 2.78Å; L152-G155 WeakPolarHBondContact O-CA 3.48Å; L152-G155 PolarHBondContact O-N 2.96Å; L152-S156 PolarHBondContact N-O 2.87Å; L152-F158 HydrophobicContact CD1-CD2 4.11Å; L152-F158 HydrophobicContact CD1-CE2 3.76Å; L152-A178 HydrophobicContact CD1-CB 4.38Å; L152-A178 HydrophobicContact CD2-CB 4.08Å; L152-A178 HydrophobicContact CG-CB 4.47Å; L152-S182 WeakPolarHBondContact CD1-OG 3.31Å | ||
| 153 | P | 87.6 | Confident | 92.8 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132.7 | 163.2 | -24.6 | 34.5 | 0 | 0 | 0 | 111 | W118 L128 G131 | W118-P153 HydrophobicContact CB-CG 4.32Å; W118-P153 HydrophobicContact CD2-CB 4.31Å; W118-P153 HydrophobicContact CD2-CG 3.84Å; W118-P153 HydrophobicContact CE3-CB 3.68Å; W118-P153 HydrophobicContact CE3-CG 3.66Å; W118-P153 HydrophobicContact CG-CG 4.11Å; W118-P153 VanDerWaalsContact CH2-O 3.31Å; W118-P153 WeakPolarHBondContact CH2-O 3.32Å; W118-P153 HydrophobicContact CZ3-CB 3.78Å; W118-P153 HydrophobicContact CZ3-CG 4.24Å; L128-P153 HydrophobicContact CD1-CB 3.99Å; L128-P153 HydrophobicContact CD1-CG 4.42Å; L128-P153 HydrophobicContact CD2-CB 4.01Å; L128-P153 HydrophobicContact CG-CB 4.42Å; G131-P153 WeakPolarHBondContact O-CB 3.32Å |
| 154 | G | 81.3 | Confident | 92.8 | Very high | 45 Ų | 45 | 30 Ų | 30 | 46% | 0.464 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -3.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L152 R323 | L152-G154 PolarHBondContact O-N 2.78Å; G154-R323 PolarHBondContact O-NH1 3.32Å |
| 155 | G | 86.5 | Confident | 92.9 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 25% | 0.247 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 94.1 | -8.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L152 R323 | L152-G155 WeakPolarHBondContact O-CA 3.48Å; L152-G155 PolarHBondContact O-N 2.96Å; G155-R323 WeakPolarHBondContact O-CD 3.43Å; G155-R323 WeakPolarHBondContact O-CG 3.33Å |
| 156 | S | 89.6 | Confident | 93 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -60.6 | 138.5 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L152 L238 E321 | L152-S156 PolarHBondContact N-O 2.87Å; S156-L238 WeakPolarHBondContact OG-CD1 3.3Å; S156-E321 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 157 | C | 94.6 | Very high | 93 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.6 | -174.1 | -175.9 | 0 | 0 | 0 | 0 | 111 | V150 E321 L322 R323 | V150-C157 WeakPolarHBondContact O-CA 3.46Å; C157-E321 PolarHBondContact N-OE1 3.04Å; C157-L322 HydrophobicContact CB-CB 4.26Å; C157-L322 PolarHBondContact O-N 3.22Å; C157-R323 HydrophobicContact CB-CB 4.29Å |
| 158 | F | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 160.1 | 175.2 | -59.9 | -79.8 | 0 | 0 | 0 | 110 | Y149 V150 L152 I177 A178 N181 E321 | Y149-F158 CarbonylContact C-O 3.2Å; Y149-F158 WeakPolarHBondContact CA-O 3.33Å; V150-F158 HydrophobicContact CG1-CB 4.04Å; V150-F158 PolarHBondContact N-O 3.07Å; V150-F158 PolarHBondContact O-N 3.32Å; L152-F158 HydrophobicContact CD1-CD2 4.11Å; L152-F158 HydrophobicContact CD1-CE2 3.76Å; F158-I177 HydrophobicContact CB-CG2 3.96Å; F158-I177 HydrophobicContact CD1-CG2 3.47Å; F158-I177 VanDerWaalsContact CD1-CG2 3.47Å; F158-I177 HydrophobicContact CE1-CG2 4.19Å; F158-I177 HydrophobicContact CG-CG2 3.83Å; F158-A178 HydrophobicContact CB-CB 4.24Å; F158-A178 HydrophobicContact CD2-CB 3.79Å; F158-A178 HydrophobicContact CG-CB 4.3Å; F158-N181 HydrophobicContact CE1-CB 4.11Å; F158-N181 HydrophobicContact CE2-CB 3.94Å; F158-N181 HydrophobicContact CZ-CB 3.52Å; F158-E321 HydrophobicContact CE1-CB 4.22Å; F158-E321 HydrophobicContact CE1-CG 4.3Å; F158-E321 HydrophobicContact CZ-CG 4.29Å |
| 159 | G | 96.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 162.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C148 F161 | C148-G159 CarbonylContact O-C 3.25Å; C148-G159 VanDerWaalsContact O-CA 3.31Å; C148-G159 WeakPolarHBondContact O-CA 3.33Å; G159-F161 PolarHBondContact O-N 3.14Å |
| 160 | S | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -54.8 | 128.4 | 157.6 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | V147 C148 A170 S173 R316 | V147-S160 WeakPolarHBondContact CA-OG 3.44Å; C148-S160 PolarHBondContact N-OG 2.83Å; C148-S160 PolarHBondContact O-N 3.46Å; C148-S160 PolarHBondContact O-OG 3.39Å; S160-A170 WeakPolarHBondContact CB-O 3.25Å; S160-S173 WeakPolarHBondContact CA-OG 3.36Å; S160-R316 WeakPolarHBondContact O-CD 3.4Å; S160-R316 WeakPolarHBondContact O-CG 3.46Å; S160-R316 PolarHBondContact O-NH1 3.06Å | ||
| 161 | F | 90 | Very high | 92.5 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 25% | 0.254 | 23% | 0.228 | S | C | . | . | trans | -112.4 | -4.4 | -168.4 | 63.4 | -81.7 | 0 | 0 | 0 | 113.7 | G159 S173 I177 R316 | G159-F161 PolarHBondContact O-N 3.14Å; F161-S173 WeakPolarHBondContact CD1-OG 3.22Å; F161-S173 WeakPolarHBondContact CE1-OG 3.49Å; F161-S173 PolarHBondContact N-OG 2.91Å; F161-I177 HydrophobicContact CB-CD1 3.76Å; F161-I177 HydrophobicContact CD1-CD1 3.17Å; F161-I177 HydrophobicContact CD1-CG1 3.58Å; F161-I177 HydrophobicContact CD2-CD1 4.32Å; F161-I177 HydrophobicContact CE1-CD1 3.79Å; F161-I177 HydrophobicContact CE1-CG1 3.73Å; F161-I177 HydrophobicContact CG-CD1 3.49Å; F161-I177 VanDerWaalsContact CG-CD1 3.49Å; F161-I177 HydrophobicContact CG-CG1 4.36Å; F161-R316 WeakPolarHBondContact CA-O 3.5Å; F161-R316 WeakPolarHBondContact CB-O 3.47Å | ||
| 162 | Q | 88.5 | Confident | 92.5 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -126.6 | 166.7 | -176.7 | 54.3 | 171.3 | 87 | 0 | 0 | 110.5 | C164 | Q162-C164 PolarHBondContact O-N 2.86Å; Q162-C164 PolarHBondContact O-SG 3.34Å |
| 163 | F | 91.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 45.4 Ų | 45.4 | 60% | 0.596 | 24% | 0.239 | S | C | * | . | trans | -58 | 124.6 | 170.5 | -176.3 | -90.2 | 0 | 0 | 0 | 110.3 | P144 P145 P165 | P144-F163 HydrophobicContact CB-CZ 4.2Å; P145-F163 HydrophobicContact CB-CD2 3.8Å; P145-F163 HydrophobicContact CB-CE2 3.89Å; P145-F163 HydrophobicContact CG-CD2 4.42Å; P145-F163 HydrophobicContact CG-CE2 4.38Å; F163-P165 HydrophobicContact CE1-CB 4.09Å | ||
| 164 | C | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -123.7 | 105.6 | -177.7 | -67.1 | 0 | 0 | 0 | 0 | 110 | Y146 Q162 T166 E169 A170 | Y146-C164 PolarHBondContact N-O 3.47Å; Y146-C164 WeakPolarHBondContact O-CB 3.42Å; Q162-C164 PolarHBondContact O-N 2.86Å; Q162-C164 PolarHBondContact O-SG 3.34Å; C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 3.42Å; C164-E169 HydrophobicContact CB-CB 4.22Å; C164-A170 HydrophobicContact CB-CB 3.9Å | ||
| 165 | P | 95.7 | Very high | 93.4 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -72.8 | -13.1 | -179.1 | 28.8 | -35.2 | 0 | 0 | 0 | 113.8 | Y146 F163 E169 | Y146-P165 WeakPolarHBondContact CD2-O 3.23Å; Y146-P165 VanDerWaalsContact CE2-O 3.26Å; Y146-P165 WeakPolarHBondContact CE2-O 3.24Å; F163-P165 HydrophobicContact CE1-CB 4.09Å; P165-E169 VanDerWaalsContact CD-OE2 3.31Å; P165-E169 WeakPolarHBondContact CD-OE2 3.26Å; P165-E169 WeakPolarHBondContact CG-OE2 3.47Å |
| 166 | T | 96.6 | Very high | 93.6 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 34% | 0.344 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -133.4 | 151.7 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | Y146 C164 A168 E169 A170 | Y146-T166 VanDerWaalsContact CD2-C 3.48Å; C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 3.42Å; T166-A168 PolarHBondContact O-N 2.68Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.28Å; T166-E169 PolarHBondContact O-N 3.21Å; T166-E169 VanDerWaalsContact O-N 3.07Å; T166-E169 WeakPolarHBondContact OG1-CB 3.03Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.41Å; T166-E169 PolarHBondContact OG1-N 3.25Å; T166-E169 PolarHBondContact OG1-OE1 3.32Å; T166-A170 PolarHBondContact O-N 2.89Å |
| 167 | K | 96 | Very high | 93.5 | Very high | 105 Ų | 105 | 47.4 Ų | 47.4 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.7 | -35.4 | 174.6 | -63.1 | -173.4 | 178.7 | -179.3 | 0 | 112.1 | M138 Y146 A170 R171 | M138-K167 HydrophobicContact CE-CB 3.82Å; M138-K167 HydrophobicContact CE-CD 4.36Å; M138-K167 HydrophobicContact CE-CG 3.85Å; M138-K167 HydrophobicContact SD-CB 4.45Å; Y146-K167 HydrophobicContact CD1-CD 4.27Å; Y146-K167 HydrophobicContact CD1-CG 3.5Å; Y146-K167 VanDerWaalsContact CD1-CG 3.5Å; Y146-K167 HydrophobicContact CD2-CG 4.31Å; Y146-K167 HydrophobicContact CE1-CD 4.28Å; Y146-K167 VanDerWaalsContact CE1-CE 3.44Å; Y146-K167 HydrophobicContact CE1-CG 3.79Å; Y146-K167 HydrophobicContact CG-CG 3.77Å; K167-A170 PolarHBondContact O-N 2.77Å; K167-R171 PolarHBondContact O-N 3.4Å |
| 168 | A | 94.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T166 R172 | T166-A168 PolarHBondContact O-N 2.68Å; A168-R172 WeakPolarHBondContact O-CB 3.36Å; A168-R172 WeakPolarHBondContact O-CG 3.5Å; A168-R172 PolarHBondContact O-N 3.35Å; A168-R172 VanDerWaalsContact O-N 3.15Å; A168-R172 PolarHBondContact O-NE 3.04Å |
| 169 | E | 92.5 | Very high | 93.1 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.9 | -40.9 | 172.9 | -76.5 | 165.6 | -106.6 | 0 | 0 | 112.2 | C164 P165 T166 R171 R172 S173 | C164-E169 HydrophobicContact CB-CB 4.22Å; P165-E169 VanDerWaalsContact CD-OE2 3.31Å; P165-E169 WeakPolarHBondContact CD-OE2 3.26Å; P165-E169 WeakPolarHBondContact CG-OE2 3.47Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.28Å; T166-E169 PolarHBondContact O-N 3.21Å; T166-E169 VanDerWaalsContact O-N 3.07Å; T166-E169 WeakPolarHBondContact OG1-CB 3.03Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.41Å; T166-E169 PolarHBondContact OG1-N 3.25Å; T166-E169 PolarHBondContact OG1-OE1 3.32Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 2.79Å; E169-R172 PolarHBondContact O-N 3.05Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.39Å |
| 170 | A | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M138 Y146 C148 S160 C164 T166 K167 R172 S173 A174 | M138-A170 HydrophobicContact CE-CB 4.22Å; Y146-A170 WeakPolarHBondContact O-CB 3.45Å; C148-A170 HydrophobicContact CB-CB 3.82Å; S160-A170 WeakPolarHBondContact CB-O 3.25Å; C164-A170 HydrophobicContact CB-CB 3.9Å; T166-A170 PolarHBondContact O-N 2.89Å; K167-A170 PolarHBondContact O-N 2.77Å; A170-R172 PolarHBondContact O-N 2.87Å; A170-S173 PolarHBondContact O-N 3.39Å; A170-A174 PolarHBondContact O-N 3.27Å |
| 171 | R | 96.4 | Very high | 92.2 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 176.6 | -168.7 | 175.4 | -177.7 | 176.2 | -1.5 | 112.9 | V111 Y136 K167 E169 A175 | V111-R171 HydrophobicContact CG2-CG 4.3Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CE1-CG 3.74Å; Y136-R171 HydrophobicContact CG-CG 4.23Å; K167-R171 PolarHBondContact O-N 3.4Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 2.79Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 2.75Å |
| 172 | R | 93.4 | Very high | 92 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | 176.2 | -77.8 | -176.2 | -76 | 121.4 | -12.2 | 112.9 | V110 V111 A168 E169 A170 K176 | V110-R172 HydrophobicContact CG2-CB 4.21Å; V110-R172 HydrophobicContact CG2-CG 4.24Å; V111-R172 HydrophobicContact CG2-CG 4.13Å; A168-R172 WeakPolarHBondContact O-CB 3.36Å; A168-R172 WeakPolarHBondContact O-CG 3.5Å; A168-R172 PolarHBondContact O-N 3.35Å; A168-R172 VanDerWaalsContact O-N 3.15Å; A168-R172 PolarHBondContact O-NE 3.04Å; E169-R172 PolarHBondContact O-N 3.05Å; A170-R172 PolarHBondContact O-N 2.87Å; R172-K176 WeakPolarHBondContact O-CB 3.47Å; R172-K176 PolarHBondContact O-N 2.99Å |
| 173 | S | 91.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | S160 F161 E169 A170 K176 I177 | S160-S173 WeakPolarHBondContact CA-OG 3.36Å; F161-S173 WeakPolarHBondContact CD1-OG 3.22Å; F161-S173 WeakPolarHBondContact CE1-OG 3.49Å; F161-S173 PolarHBondContact N-OG 2.91Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.39Å; A170-S173 PolarHBondContact O-N 3.39Å; S173-K176 PolarHBondContact O-N 3.11Å; S173-I177 PolarHBondContact O-N 3.42Å |
| 174 | A | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -50.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C148 V150 A170 K176 I177 A178 | C148-A174 HydrophobicContact CB-CB 4.26Å; C148-A174 WeakPolarHBondContact O-CB 3.44Å; V150-A174 HydrophobicContact CB-CB 4.23Å; V150-A174 HydrophobicContact CG1-CB 3.83Å; A170-A174 PolarHBondContact O-N 3.27Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 3.07Å; A174-I177 PolarHBondContact O-N 2.81Å; A174-A178 WeakPolarHBondContact O-CB 3.18Å; A174-A178 PolarHBondContact O-N 3.01Å |
| 175 | A | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V110 V111 L114 Y136 R171 A178 L179 | V110-A175 HydrophobicContact CG2-CB 4.13Å; V111-A175 HydrophobicContact CG2-CB 3.88Å; L114-A175 HydrophobicContact CD2-CB 4.24Å; Y136-A175 HydrophobicContact CE1-CB 4.09Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 2.75Å; A175-A178 PolarHBondContact O-N 3.18Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 3.09Å |
| 176 | K | 89.4 | Confident | 89.7 | Confident | 105 Ų | 105 | 47.1 Ų | 47.1 | 46% | 0.457 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 178.7 | -174.1 | -175.2 | 176.7 | -171.2 | 0 | 112.4 | R172 S173 A174 M180 | R172-K176 WeakPolarHBondContact O-CB 3.47Å; R172-K176 PolarHBondContact O-N 2.99Å; S173-K176 PolarHBondContact O-N 3.11Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 3.07Å; K176-M180 HydrophobicContact CG-SD 4.37Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 2.89Å |
| 177 | I | 88.7 | Confident | 88.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.2 | -72.5 | -167.7 | 0 | 0 | 0 | 110.4 | F158 F161 S173 A174 L179 M180 N181 | F158-I177 HydrophobicContact CB-CG2 3.96Å; F158-I177 HydrophobicContact CD1-CG2 3.47Å; F158-I177 VanDerWaalsContact CD1-CG2 3.47Å; F158-I177 HydrophobicContact CE1-CG2 4.19Å; F158-I177 HydrophobicContact CG-CG2 3.83Å; F161-I177 HydrophobicContact CB-CD1 3.76Å; F161-I177 HydrophobicContact CD1-CD1 3.17Å; F161-I177 HydrophobicContact CD1-CG1 3.58Å; F161-I177 HydrophobicContact CD2-CD1 4.32Å; F161-I177 HydrophobicContact CE1-CD1 3.79Å; F161-I177 HydrophobicContact CE1-CG1 3.73Å; F161-I177 HydrophobicContact CG-CD1 3.49Å; F161-I177 VanDerWaalsContact CG-CD1 3.49Å; F161-I177 HydrophobicContact CG-CG1 4.36Å; S173-I177 PolarHBondContact O-N 3.42Å; A174-I177 PolarHBondContact O-N 2.81Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.24Å; I177-M180 PolarHBondContact O-N 2.83Å; I177-N181 WeakPolarHBondContact CG2-ND2 3.39Å; I177-N181 PolarHBondContact O-N 3.47Å; I177-N181 PolarHBondContact O-ND2 3.06Å |
| 178 | A | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L114 V150 L152 F158 A174 A175 S182 | L114-A178 HydrophobicContact CD2-CB 3.72Å; V150-A178 HydrophobicContact CG1-CB 3.46Å; V150-A178 VanDerWaalsContact CG1-CB 3.46Å; V150-A178 HydrophobicContact CG2-CB 4.49Å; L152-A178 HydrophobicContact CD1-CB 4.38Å; L152-A178 HydrophobicContact CD2-CB 4.08Å; L152-A178 HydrophobicContact CG-CB 4.47Å; F158-A178 HydrophobicContact CB-CB 4.24Å; F158-A178 HydrophobicContact CD2-CB 3.79Å; F158-A178 HydrophobicContact CG-CB 4.3Å; A174-A178 WeakPolarHBondContact O-CB 3.18Å; A174-A178 PolarHBondContact O-N 3.01Å; A175-A178 PolarHBondContact O-N 3.18Å; A178-S182 VanDerWaalsContact O-CB 3.25Å; A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.72Å; A178-S182 PolarHBondContact O-OG 3.27Å |
| 179 | L | 89 | Confident | 86.7 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 173.4 | -177.2 | 57.2 | 0 | 0 | 0 | 112.3 | F98 V110 A113 L114 F117 A175 I177 N181 S182 V183 | F98-L179 HydrophobicContact CE2-CD2 4.2Å; F98-L179 HydrophobicContact CZ-CD1 4.12Å; F98-L179 HydrophobicContact CZ-CD2 3.86Å; F98-L179 HydrophobicContact CZ-CG 4.32Å; V110-L179 HydrophobicContact CB-CD2 4.44Å; A113-L179 HydrophobicContact CB-CD2 3.89Å; L114-L179 HydrophobicContact CB-CB 4.33Å; L114-L179 HydrophobicContact CB-CD1 4.27Å; L114-L179 HydrophobicContact CD1-CB 4.22Å; L114-L179 HydrophobicContact CD1-CD1 4.16Å; F117-L179 HydrophobicContact CB-CD1 4.42Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 3.09Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.24Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-N 2.94Å; L179-V183 HydrophobicContact CD1-CG2 3.87Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.95Å |
| 180 | M | 86.1 | Confident | 85.9 | Confident | 122 Ų | 122 | 46.5 Ų | 46.5 | 60% | 0.601 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -56.3 | -47.3 | 175.6 | -73.5 | 176.1 | 61.6 | 0 | 0 | 111.1 | K176 I177 F184 | K176-M180 HydrophobicContact CG-SD 4.37Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 2.89Å; I177-M180 PolarHBondContact O-N 2.83Å; M180-F184 WeakPolarHBondContact O-CB 3.32Å; M180-F184 PolarHBondContact O-N 2.79Å |
| 181 | N | 86 | Confident | 85.3 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -39.5 | 177.3 | -77.2 | -80.2 | 0 | 0 | 0 | 113 | F158 I177 L179 F184 N185 | F158-N181 HydrophobicContact CE1-CB 4.11Å; F158-N181 HydrophobicContact CE2-CB 3.94Å; F158-N181 HydrophobicContact CZ-CB 3.52Å; I177-N181 WeakPolarHBondContact CG2-ND2 3.39Å; I177-N181 PolarHBondContact O-N 3.47Å; I177-N181 PolarHBondContact O-ND2 3.06Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.88Å; N181-F184 PolarHBondContact O-N 2.91Å; N181-N185 WeakPolarHBondContact O-CB 3.49Å; N181-N185 PolarHBondContact O-N 2.83Å; N181-N185 VanDerWaalsContact O-N 3.11Å; N181-N185 PolarHBondContact O-ND2 3.4Å |
| 182 | S | 85.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -50.7 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | F117 W118 L152 A178 L179 | F117-S182 WeakPolarHBondContact CZ-O 3.49Å; W118-S182 PolarHBondContact NE1-OG 3.27Å; L152-S182 WeakPolarHBondContact CD1-OG 3.31Å; A178-S182 VanDerWaalsContact O-CB 3.25Å; A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.72Å; A178-S182 PolarHBondContact O-OG 3.27Å; L179-S182 PolarHBondContact O-N 2.94Å |
| 183 | V | 82.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.8 | -33.4 | -177.7 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | V94 F117 L179 N185 E186 | V94-V183 HydrophobicContact CG1-CG1 4.42Å; V94-V183 HydrophobicContact CG2-CB 4.1Å; V94-V183 HydrophobicContact CG2-CG1 3.31Å; F117-V183 HydrophobicContact CD2-CG2 3.76Å; F117-V183 HydrophobicContact CE2-CB 4.15Å; F117-V183 HydrophobicContact CE2-CG1 4.14Å; F117-V183 HydrophobicContact CE2-CG2 3.71Å; F117-V183 HydrophobicContact CG-CG2 4.39Å; F117-V183 HydrophobicContact CZ-CG2 4.33Å; L179-V183 HydrophobicContact CD1-CG2 3.87Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.95Å; V183-N185 VanDerWaalsContact C-N 3.32Å; V183-N185 PolarHBondContact O-N 3.28Å; V183-E186 PolarHBondContact O-N 3.41Å |
| 184 | F | 79.6 | Confident | 84.8 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -32.6 | 179.3 | -171.3 | -126.6 | 0 | 0 | 0 | 113.1 | L87 M180 N181 E186 H187 R190 | L87-F184 HydrophobicContact CD1-CE2 3.52Å; L87-F184 HydrophobicContact CD1-CZ 3.51Å; M180-F184 WeakPolarHBondContact O-CB 3.32Å; M180-F184 PolarHBondContact O-N 2.79Å; N181-F184 PolarHBondContact O-N 2.91Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.05Å; F184-H187 WeakPolarHBondContact O-CB 3.41Å; F184-H187 PolarHBondContact O-N 2.82Å; F184-R190 VanDerWaalsContact CE1-NH2 3.28Å; F184-R190 VanDerWaalsContact CZ-NE 3.34Å; F184-R190 VanDerWaalsContact CZ-NH2 3.31Å; F184-R190 WeakPolarHBondContact O-CG 3.38Å |
| 185 | N | 80 | Confident | 84.5 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.7 | -16.4 | 177 | -79 | -61.2 | 0 | 0 | 0 | 114.4 | N181 V183 H187 L238 | N181-N185 WeakPolarHBondContact O-CB 3.49Å; N181-N185 PolarHBondContact O-N 2.83Å; N181-N185 VanDerWaalsContact O-N 3.11Å; N181-N185 PolarHBondContact O-ND2 3.4Å; V183-N185 VanDerWaalsContact C-N 3.32Å; V183-N185 PolarHBondContact O-N 3.28Å; N185-H187 VanDerWaalsContact C-N 3.27Å; N185-L238 HydrophobicContact CB-CB 4.44Å |
| 186 | E | 79.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.6 | 171.7 | -66.2 | -62.1 | 132.9 | 0 | 0 | 113 | F117 K121 V183 F184 | F117-E186 HydrophobicContact CE2-CG 4.18Å; F117-E186 HydrophobicContact CZ-CG 3.62Å; K121-E186 VanDerWaalsContact CE-OE1 3.27Å; K121-E186 WeakPolarHBondContact CE-OE1 3.46Å; K121-E186 IonicContact NZ-OE1 3.86Å; K121-E186 PolarHBondContact NZ-OE1 3.44Å; V183-E186 PolarHBondContact O-N 3.41Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.05Å |
| 187 | H | 76.3 | Confident | 84.3 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -65.1 | 133.9 | -176.7 | -167 | -95.6 | 0 | 0 | 0 | 110.8 | F184 N185 S189 R190 | F184-H187 WeakPolarHBondContact O-CB 3.41Å; F184-H187 PolarHBondContact O-N 2.82Å; N185-H187 VanDerWaalsContact C-N 3.27Å; H187-S189 PolarHBondContact CE1-OG 2.96Å; H187-S189 PolarHBondContact ND1-N 3.01Å; H187-S189 PolarHBondContact ND1-OG 2.86Å; H187-S189 PolarHBondContact O-N 3.01Å; H187-R190 WeakPolarHBondContact O-CA 3.44Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.05Å |
| 188 | P | 73.7 | Confident | 84.4 | Confident | 92 Ų | 92 | 53 Ų | 53 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -55.3 | -30.8 | -176.5 | -29.6 | 36.3 | 0 | 0 | 0 | 114.9 | R190 R191 | P188-R190 PolarHBondContact O-N 3.38Å; P188-R191 PolarHBondContact O-N 2.95Å |
| 189 | S | 73.2 | Confident | 84.3 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -73.3 | -0.6 | 174.6 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | H187 | H187-S189 PolarHBondContact CE1-OG 2.96Å; H187-S189 PolarHBondContact ND1-N 3.01Å; H187-S189 PolarHBondContact ND1-OG 2.86Å; H187-S189 PolarHBondContact O-N 3.01Å |
| 190 | R | 75.5 | Confident | 84.3 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 18% | 0.177 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -105.8 | 11.4 | 172 | -66.2 | -58.9 | -172.3 | -175.4 | -2.6 | 113.2 | F184 H187 P188 M237 | F184-R190 VanDerWaalsContact CE1-NH2 3.28Å; F184-R190 VanDerWaalsContact CZ-NE 3.34Å; F184-R190 VanDerWaalsContact CZ-NH2 3.31Å; F184-R190 WeakPolarHBondContact O-CG 3.38Å; H187-R190 WeakPolarHBondContact O-CA 3.44Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.05Å; P188-R190 PolarHBondContact O-N 3.38Å; R190-M237 PolarHBondContact O-N 3.06Å |
| 191 | R | 84.8 | Confident | 84.5 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 151.7 | 162.1 | -64.6 | -175.2 | 176.7 | -81.7 | -7.5 | 110.7 | P188 T193 G234 K235 | P188-R191 PolarHBondContact O-N 2.95Å; R191-T193 PolarHBondContact O-N 3.28Å; R191-G234 PolarHBondContact NH1-O 2.89Å; R191-K235 VanDerWaalsContact CA-O 3.3Å; R191-K235 WeakPolarHBondContact CA-O 3.21Å |
| 192 | I | 88.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -73.3 | 109 | 172.3 | -62 | 173.3 | 0 | 0 | 0 | 108.5 | F196 I197 L229 N232 G234 K235 F240 | I192-F196 HydrophobicContact CG1-CD1 4.46Å; I192-F196 HydrophobicContact CG2-CD1 4.33Å; I192-I197 HydrophobicContact CG2-CD1 4.01Å; I192-I197 HydrophobicContact CG2-CG1 3.84Å; I192-L229 HydrophobicContact CD1-CD2 4.4Å; I192-N232 HydrophobicContact CD1-CB 3.86Å; I192-G234 PolarHBondContact O-N 3.33Å; I192-K235 PolarHBondContact N-O 3.35Å; I192-F240 HydrophobicContact CD1-CB 3.72Å; I192-F240 HydrophobicContact CD1-CD1 4.3Å; I192-F240 HydrophobicContact CD1-CD2 3.72Å; I192-F240 HydrophobicContact CD1-CE2 4.41Å; I192-F240 HydrophobicContact CD1-CG 3.65Å | ||
| 193 | T | 89.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -114 | 162.1 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | R191 D195 F196 I197 | R191-T193 PolarHBondContact O-N 3.28Å; T193-D195 VanDerWaalsContact C-N 3.28Å; T193-D195 PolarHBondContact O-N 3.36Å; T193-F196 WeakPolarHBondContact O-CA 3.2Å; T193-F196 WeakPolarHBondContact O-CB 3.35Å; T193-F196 PolarHBondContact O-N 3.07Å; T193-F196 PolarHBondContact OG1-N 3.36Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.92Å | ||
| 194 | D | 91.8 | Very high | 84.8 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.5 | -45.6 | 177.2 | -57 | -63.2 | 0 | 0 | 0 | 111.9 | F196 I197 E198 K233 | D194-F196 PolarHBondContact O-N 3.31Å; D194-I197 WeakPolarHBondContact O-CB 3.46Å; D194-I197 PolarHBondContact O-N 3.03Å; D194-E198 PolarHBondContact O-N 3.16Å; D194-K233 VanDerWaalsContact OD1-CE 3.27Å; D194-K233 WeakPolarHBondContact OD1-CE 3.21Å; D194-K233 IonicContact OD1-NZ 3.38Å; D194-K233 PolarHBondContact OD1-NZ 3.37Å; D194-K233 WeakPolarHBondContact OD2-CE 3.5Å; D194-K233 IonicContact OD2-NZ 2.63Å; D194-K233 PolarHBondContact OD2-NZ 2.94Å |
| 195 | D | 89.7 | Confident | 85.1 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -52.3 | -37.1 | 171.7 | -82.3 | 26.5 | 0 | 0 | 0 | 114 | T193 K199 | T193-D195 VanDerWaalsContact C-N 3.28Å; T193-D195 PolarHBondContact O-N 3.36Å; D195-K199 WeakPolarHBondContact O-CB 3.16Å; D195-K199 WeakPolarHBondContact O-CD 3.28Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 2.84Å; D195-K199 IonicContact OD2-NZ 2.77Å |
| 196 | F | 88.7 | Confident | 85.4 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 26% | 0.263 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.4 | -38.5 | 178 | 176.4 | -95.2 | 0 | 0 | 0 | 111.3 | I192 T193 D194 S200 L229 M237 | I192-F196 HydrophobicContact CG1-CD1 4.46Å; I192-F196 HydrophobicContact CG2-CD1 4.33Å; T193-F196 WeakPolarHBondContact O-CA 3.2Å; T193-F196 WeakPolarHBondContact O-CB 3.35Å; T193-F196 PolarHBondContact O-N 3.07Å; T193-F196 PolarHBondContact OG1-N 3.36Å; D194-F196 PolarHBondContact O-N 3.31Å; F196-S200 WeakPolarHBondContact CE1-OG 3.48Å; F196-S200 VanDerWaalsContact CZ-OG 3.28Å; F196-S200 WeakPolarHBondContact CZ-OG 3.42Å; F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 2.96Å; F196-S200 PolarHBondContact O-OG 2.83Å; F196-L229 HydrophobicContact CE1-CD2 4.04Å; F196-M237 HydrophobicContact CE1-CE 3.71Å; F196-M237 HydrophobicContact CE2-CE 4.12Å; F196-M237 HydrophobicContact CZ-CE 3.43Å; F196-M237 VanDerWaalsContact CZ-CE 3.43Å |
| 197 | I | 91.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -54.6 | 177.1 | -60.4 | 175 | 0 | 0 | 0 | 109.7 | I192 T193 D194 K199 S200 V201 R226 L229 E230 | I192-I197 HydrophobicContact CG2-CD1 4.01Å; I192-I197 HydrophobicContact CG2-CG1 3.84Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.92Å; D194-I197 WeakPolarHBondContact O-CB 3.46Å; D194-I197 PolarHBondContact O-N 3.03Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.39Å; I197-S200 PolarHBondContact O-N 3.36Å; I197-V201 HydrophobicContact CG2-CG2 4.32Å; I197-V201 WeakPolarHBondContact O-CB 3.44Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.33Å; I197-V201 PolarHBondContact O-N 2.9Å; I197-R226 HydrophobicContact CG2-CG 4.21Å; I197-L229 HydrophobicContact CD1-CB 4.38Å; I197-L229 HydrophobicContact CG1-CB 3.97Å; I197-L229 HydrophobicContact CG2-CB 4.27Å; I197-L229 HydrophobicContact CG2-CD1 4.44Å; I197-E230 HydrophobicContact CD1-CB 4.45Å; I197-E230 HydrophobicContact CD1-CG 3.85Å; I197-E230 HydrophobicContact CG2-CG 4.15Å |
| 198 | E | 91.1 | Very high | 85.7 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | -179.6 | -70.8 | -67.8 | 137.9 | 0 | 0 | 111.4 | D194 V201 C202 R226 | D194-E198 PolarHBondContact O-N 3.16Å; E198-V201 PolarHBondContact O-N 3.42Å; E198-C202 WeakPolarHBondContact O-CB 3.38Å; E198-C202 PolarHBondContact O-N 3.29Å; E198-C202 PolarHBondContact O-SG 3.24Å; E198-R226 IonicContact OE1-CZ 3.85Å; E198-R226 IonicContact OE1-NH2 3.81Å; E198-R226 PolarHBondContact OE1-NH2 2.78Å |
| 199 | K | 89.1 | Confident | 85.8 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.7 | -73.4 | 167.6 | -169.1 | 148.3 | 0 | 112.4 | D195 I197 V201 C202 E203 | D195-K199 WeakPolarHBondContact O-CB 3.16Å; D195-K199 WeakPolarHBondContact O-CD 3.28Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 2.84Å; D195-K199 IonicContact OD2-NZ 2.77Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.39Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.41Å; K199-C202 PolarHBondContact O-N 3.27Å; K199-E203 WeakPolarHBondContact O-CG 3.19Å; K199-E203 PolarHBondContact O-N 3.02Å |
| 200 | S | 88.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -36.9 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | F196 I197 A204 | F196-S200 WeakPolarHBondContact CE1-OG 3.48Å; F196-S200 VanDerWaalsContact CZ-OG 3.28Å; F196-S200 WeakPolarHBondContact CZ-OG 3.42Å; F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 2.96Å; F196-S200 PolarHBondContact O-OG 2.83Å; I197-S200 PolarHBondContact O-N 3.36Å; S200-A204 WeakPolarHBondContact O-CB 3.49Å; S200-A204 PolarHBondContact O-N 2.78Å |
| 201 | V | 89.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.1 | -41.2 | 176 | 170.9 | 0 | 0 | 0 | 0 | 111 | I197 E198 K199 A204 L205 A215 I222 R226 | I197-V201 HydrophobicContact CG2-CG2 4.32Å; I197-V201 WeakPolarHBondContact O-CB 3.44Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.33Å; I197-V201 PolarHBondContact O-N 2.9Å; E198-V201 PolarHBondContact O-N 3.42Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.41Å; V201-A204 PolarHBondContact O-N 3.06Å; V201-L205 HydrophobicContact CG1-CD1 4.17Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.01Å; V201-A215 HydrophobicContact CG1-CB 3.57Å; V201-I222 HydrophobicContact CG1-CG2 4.04Å; V201-R226 HydrophobicContact CG2-CB 3.79Å; V201-R226 HydrophobicContact CG2-CG 4Å |
| 202 | C | 87.1 | Confident | 85.1 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 49% | 0.493 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 172.7 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | E198 K199 A204 L205 A206 | E198-C202 WeakPolarHBondContact O-CB 3.38Å; E198-C202 PolarHBondContact O-N 3.29Å; E198-C202 PolarHBondContact O-SG 3.24Å; K199-C202 PolarHBondContact O-N 3.27Å; C202-A204 VanDerWaalsContact C-N 3.35Å; C202-L205 PolarHBondContact O-N 2.85Å; C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.68Å |
| 203 | E | 88.1 | Confident | 84.5 | Confident | 135 Ų | 135 | 78 Ų | 78 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 175.5 | -74 | 173.3 | -170.1 | 0 | 0 | 111.7 | K199 S207 | K199-E203 WeakPolarHBondContact O-CG 3.19Å; K199-E203 PolarHBondContact O-N 3.02Å; E203-S207 WeakPolarHBondContact O-CB 3.32Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 2.75Å |
| 204 | A | 86.9 | Confident | 83.8 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 8% | 0.083 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S200 V201 C202 A206 S207 F208 I222 F225 | S200-A204 WeakPolarHBondContact O-CB 3.49Å; S200-A204 PolarHBondContact O-N 2.78Å; V201-A204 PolarHBondContact O-N 3.06Å; C202-A204 VanDerWaalsContact C-N 3.35Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.92Å; A204-S207 PolarHBondContact O-N 3.24Å; A204-S207 VanDerWaalsContact O-N 3.11Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 PolarHBondContact O-N 2.84Å; A204-F208 VanDerWaalsContact O-N 3.12Å; A204-I222 HydrophobicContact CB-CG2 4.48Å; A204-F225 HydrophobicContact CB-CD1 4.42Å; A204-F225 HydrophobicContact CB-CE1 4.45Å |
| 205 | L | 85.8 | Confident | 83 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 176.2 | -74.4 | 165.8 | 0 | 0 | 0 | 111.9 | V201 C202 S207 F208 N209 G210 N211 A215 I222 | V201-L205 HydrophobicContact CG1-CD1 4.17Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.01Å; C202-L205 PolarHBondContact O-N 2.85Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.48Å; L205-F208 PolarHBondContact O-N 2.69Å; L205-N209 PolarHBondContact O-N 2.92Å; L205-G210 PolarHBondContact O-N 3.07Å; L205-N211 VanDerWaalsContact CD2-O 3.23Å; L205-N211 WeakPolarHBondContact CD2-O 3.31Å; L205-A215 HydrophobicContact CD1-CB 4Å; L205-A215 HydrophobicContact CD2-CB 4.25Å; L205-A215 HydrophobicContact CG-CB 4.38Å; L205-I222 HydrophobicContact CD2-CD1 3.65Å; L205-I222 HydrophobicContact CD2-CG2 4.27Å; L205-I222 HydrophobicContact CG-CD1 4.18Å; L205-I222 HydrophobicContact CG-CG2 4.22Å |
| 206 | A | 85.8 | Confident | 82.4 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.8 | -36.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C202 A204 | C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.68Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.92Å |
| 207 | S | 85.5 | Confident | 82 | Confident | 88 Ų | 88 | 75 Ų | 75 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.1 | -26.6 | -179.2 | -58.3 | 0 | 0 | 0 | 0 | 113.8 | E203 A204 L205 | E203-S207 WeakPolarHBondContact O-CB 3.32Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 2.75Å; A204-S207 PolarHBondContact O-N 3.24Å; A204-S207 VanDerWaalsContact O-N 3.11Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.48Å |
| 208 | F | 77 | Confident | 81.1 | Confident | 94 Ų | 94 | 77.3 Ų | 77.3 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -110.8 | 6.8 | -177.5 | -71.8 | -84.8 | 0 | 0 | 0 | 113.9 | P52 L55 A204 L205 G210 | P52-F208 HydrophobicContact CB-CE1 4.43Å; L55-F208 HydrophobicContact CD2-CD2 3.99Å; L55-F208 HydrophobicContact CD2-CE2 3.22Å; L55-F208 HydrophobicContact CD2-CZ 3.6Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 PolarHBondContact O-N 2.84Å; A204-F208 VanDerWaalsContact O-N 3.12Å; L205-F208 PolarHBondContact O-N 2.69Å; F208-G210 PolarHBondContact O-N 2.94Å |
| 209 | N | 75.3 | Confident | 80.3 | Confident | 155 Ų | 155 | 77.8 Ų | 77.8 | 83% | 0.829 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.7 | -171.5 | -65.5 | 103.4 | 0 | 0 | 0 | 113.3 | L205 | L205-N209 PolarHBondContact O-N 2.92Š|
| 210 | G | 67.4 | Low | 80.1 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | trans | -81.8 | 157.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L205 F208 E214 | L205-G210 PolarHBondContact O-N 3.07Å; F208-G210 PolarHBondContact O-N 2.94Å; G210-E214 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 211 | N | 75.6 | Confident | 79.7 | Confident | 111 Ų | 111 | 74.3 Ų | 74.3 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | trans | -95.4 | 153 | 178.3 | -81.1 | -12.2 | 0 | 0 | 0 | 111.8 | L205 E213 E214 | L205-N211 VanDerWaalsContact CD2-O 3.23Å; L205-N211 WeakPolarHBondContact CD2-O 3.31Å; N211-E213 PolarHBondContact O-N 3.16Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 PolarHBondContact N-OE2 3.26Å; N211-E214 VanDerWaalsContact N-OE2 3.15Å; N211-E214 VanDerWaalsContact O-CB 3.26Å; N211-E214 WeakPolarHBondContact O-CB 3.39Å; N211-E214 PolarHBondContact O-N 2.92Å | ||
| 212 | R | 75.8 | Confident | 79.6 | Confident | 175 Ų | 175 | 74.6 Ų | 74.6 | 66% | 0.66 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -56.1 | -37.1 | -178.3 | -168.1 | 174.8 | -171.6 | 155.9 | 9 | 113.3 | E214 A215 D216 | R212-E214 PolarHBondContact O-N 3.29Å; R212-A215 WeakPolarHBondContact O-CB 3.33Å; R212-A215 PolarHBondContact O-N 2.83Å; R212-D216 PolarHBondContact O-N 3.03Å |
| 213 | E | 75.1 | Confident | 79.5 | Confident | 159 Ų | 159 | 71.3 Ų | 71.3 | 74% | 0.743 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.7 | -27.7 | 174.8 | -62.2 | 177.3 | 174.7 | 0 | 0 | 113.2 | N211 N217 | N211-E213 PolarHBondContact O-N 3.16Å; E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 3.46Å |
| 214 | E | 75.9 | Confident | 79.4 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71 | -39.2 | 174.4 | -58.6 | -176.8 | 139.7 | 0 | 0 | 111.2 | G210 N211 R212 D216 N217 T220 | G210-E214 WeakPolarHBondContact CA-OE2 3.49Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 PolarHBondContact N-OE2 3.26Å; N211-E214 VanDerWaalsContact N-OE2 3.15Å; N211-E214 VanDerWaalsContact O-CB 3.26Å; N211-E214 WeakPolarHBondContact O-CB 3.39Å; N211-E214 PolarHBondContact O-N 2.92Å; R212-E214 PolarHBondContact O-N 3.29Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 2.88Å; E214-N217 PolarHBondContact O-N 3.13Å; E214-T220 HydrophobicContact CB-CG2 3.92Å; E214-T220 HydrophobicContact CG-CG2 4.44Å; E214-T220 WeakPolarHBondContact O-CB 3.25Å; E214-T220 WeakPolarHBondContact O-CG2 3.32Å; E214-T220 PolarHBondContact O-OG1 2.82Å |
| 215 | A | 73.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.8 | -26 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V201 L205 R212 I222 G223 R226 | V201-A215 HydrophobicContact CG1-CB 3.57Å; L205-A215 HydrophobicContact CD1-CB 4Å; L205-A215 HydrophobicContact CD2-CB 4.25Å; L205-A215 HydrophobicContact CG-CB 4.38Å; R212-A215 WeakPolarHBondContact O-CB 3.33Å; R212-A215 PolarHBondContact O-N 2.83Å; A215-I222 HydrophobicContact CB-CG2 3.72Å; A215-G223 WeakPolarHBondContact O-CA 3.32Å; A215-R226 WeakPolarHBondContact O-CD 3.16Å |
| 216 | D | 78.3 | Confident | 79.5 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -84.6 | -10.9 | 175.4 | -63.3 | -38.5 | 0 | 0 | 0 | 112.7 | R212 E214 P218 R226 | R212-D216 PolarHBondContact O-N 3.03Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 2.88Å; D216-P218 WeakPolarHBondContact O-CD 3.07Å; D216-R226 IonicContact OD1-CZ 2.72Å; D216-R226 IonicContact OD1-NH1 2.69Å; D216-R226 PolarHBondContact OD1-NH1 3.44Å |
| 217 | N | 79.6 | Confident | 79.5 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | trans | -101.9 | 110.6 | -179.6 | 175.6 | 2.3 | 0 | 0 | 0 | 111.8 | E213 E214 S219 T220 | E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 3.46Å; E214-N217 PolarHBondContact O-N 3.13Å; N217-S219 VanDerWaalsContact CG-OG 3.23Å; N217-S219 PolarHBondContact ND2-OG 3.43Å; N217-S219 VanDerWaalsContact ND2-OG 3.12Å; N217-S219 PolarHBondContact O-N 2.9Å; N217-S219 WeakPolarHBondContact OD1-CB 3.4Å; N217-S219 PolarHBondContact OD1-N 3.38Å; N217-S219 PolarHBondContact OD1-OG 3.24Å; N217-T220 HydrophobicContact CB-CG2 3.93Å; N217-T220 PolarHBondContact O-N 2.86Å; N217-T220 PolarHBondContact O-OG1 3.39Å | ||
| 218 | P | 72.9 | Confident | 79.6 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.7 | -179.4 | -23.1 | 34.1 | 0 | 0 | 0 | 115 | D216 T220 Q267 | D216-P218 WeakPolarHBondContact O-CD 3.07Å; P218-T220 VanDerWaalsContact C-N 3.3Å; P218-Q267 HydrophobicContact CB-CG 4.34Å |
| 219 | S | 74.8 | Confident | 80.2 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 6.4 | 174.6 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | N217 R266 | N217-S219 VanDerWaalsContact CG-OG 3.23Å; N217-S219 PolarHBondContact ND2-OG 3.43Å; N217-S219 VanDerWaalsContact ND2-OG 3.12Å; N217-S219 PolarHBondContact O-N 2.9Å; N217-S219 WeakPolarHBondContact OD1-CB 3.4Å; N217-S219 PolarHBondContact OD1-N 3.38Å; N217-S219 PolarHBondContact OD1-OG 3.24Å; S219-R266 PolarHBondContact O-NH1 2.79Å |
| 220 | T | 84.3 | Confident | 80.9 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -100.5 | 171.3 | 167.4 | 82.1 | 0 | 0 | 0 | 0 | 112.1 | E214 N217 P218 I222 G223 A224 R266 | E214-T220 HydrophobicContact CB-CG2 3.92Å; E214-T220 HydrophobicContact CG-CG2 4.44Å; E214-T220 WeakPolarHBondContact O-CB 3.25Å; E214-T220 WeakPolarHBondContact O-CG2 3.32Å; E214-T220 PolarHBondContact O-OG1 2.82Å; N217-T220 HydrophobicContact CB-CG2 3.93Å; N217-T220 PolarHBondContact O-N 2.86Å; N217-T220 PolarHBondContact O-OG1 3.39Å; P218-T220 VanDerWaalsContact C-N 3.3Å; T220-I222 VanDerWaalsContact C-N 3.35Å; T220-I222 PolarHBondContact OG1-N 3.02Å; T220-G223 PolarHBondContact OG1-N 2.63Å; T220-A224 VanDerWaalsContact O-CB 3.31Å; T220-A224 WeakPolarHBondContact O-CB 3.35Å; T220-A224 PolarHBondContact O-N 2.78Å; T220-R266 PolarHBondContact O-NH1 3.29Å |
| 221 | G | 81 | Confident | 81.9 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.5 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F225 | G221-F225 WeakPolarHBondContact O-CB 3.22Å; G221-F225 PolarHBondContact O-N 3.1Å; G221-F225 VanDerWaalsContact O-N 3.07Å |
| 222 | I | 85.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77 | -42 | -177.3 | -57.2 | 179.2 | 0 | 0 | 0 | 110.5 | V201 A204 L205 A215 T220 A224 F225 R226 | V201-I222 HydrophobicContact CG1-CG2 4.04Å; A204-I222 HydrophobicContact CB-CG2 4.48Å; L205-I222 HydrophobicContact CD2-CD1 3.65Å; L205-I222 HydrophobicContact CD2-CG2 4.27Å; L205-I222 HydrophobicContact CG-CD1 4.18Å; L205-I222 HydrophobicContact CG-CG2 4.22Å; A215-I222 HydrophobicContact CB-CG2 3.72Å; T220-I222 VanDerWaalsContact C-N 3.35Å; T220-I222 PolarHBondContact OG1-N 3.02Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.04Å; I222-F225 WeakPolarHBondContact O-CB 3.33Å; I222-F225 PolarHBondContact O-N 2.79Å; I222-R226 WeakPolarHBondContact O-CB 3.42Å; I222-R226 PolarHBondContact O-N 2.92Å |
| 223 | G | 86 | Confident | 83.1 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | A215 T220 R226 F227 | A215-G223 WeakPolarHBondContact O-CA 3.32Å; T220-G223 PolarHBondContact OG1-N 2.63Å; G223-R226 PolarHBondContact O-N 2.71Å; G223-F227 WeakPolarHBondContact O-CB 2.87Å; G223-F227 PolarHBondContact O-N 3.39Å |
| 224 | A | 84.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T220 I222 M228 R266 L270 | T220-A224 VanDerWaalsContact O-CB 3.31Å; T220-A224 WeakPolarHBondContact O-CB 3.35Å; T220-A224 PolarHBondContact O-N 2.78Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.04Å; A224-M228 WeakPolarHBondContact O-CB 3.49Å; A224-M228 PolarHBondContact O-N 3.38Å; A224-R266 HydrophobicContact CB-CB 4.31Å; A224-L270 HydrophobicContact CB-CD1 4.08Å |
| 225 | F | 86.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.5 | 175.8 | -121.3 | 0 | 0 | 0 | 112.1 | L55 A204 G221 I222 M228 L229 | L55-F225 HydrophobicContact CD1-CB 3.76Å; L55-F225 HydrophobicContact CD1-CD1 3.88Å; L55-F225 HydrophobicContact CD1-CD2 3.88Å; L55-F225 HydrophobicContact CD1-CE1 4.42Å; L55-F225 HydrophobicContact CD1-CE2 4.43Å; L55-F225 HydrophobicContact CD1-CG 3.57Å; A204-F225 HydrophobicContact CB-CD1 4.42Å; A204-F225 HydrophobicContact CB-CE1 4.45Å; G221-F225 WeakPolarHBondContact O-CB 3.22Å; G221-F225 PolarHBondContact O-N 3.1Å; G221-F225 VanDerWaalsContact O-N 3.07Å; I222-F225 WeakPolarHBondContact O-CB 3.33Å; I222-F225 PolarHBondContact O-N 2.79Å; F225-M228 WeakPolarHBondContact O-CB 3.28Å; F225-M228 PolarHBondContact O-N 2.85Å; F225-L229 HydrophobicContact CD1-CD1 4.2Å; F225-L229 HydrophobicContact CD2-CD1 4.47Å; F225-L229 HydrophobicContact CE1-CD1 3.78Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CE2-CD2 4.49Å; F225-L229 HydrophobicContact CE2-CG 4.21Å; F225-L229 HydrophobicContact CZ-CD1 3.7Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 3.34Å; F225-L229 PolarHBondContact O-N 3.08Å |
| 226 | R | 89.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 16% | 0.158 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -53.2 | 173.2 | -178.3 | -178.2 | -173 | 154.4 | 13.4 | 111.7 | I197 E198 V201 A215 D216 I222 G223 M228 L229 E230 | I197-R226 HydrophobicContact CG2-CG 4.21Å; E198-R226 IonicContact OE1-CZ 3.85Å; E198-R226 IonicContact OE1-NH2 3.81Å; E198-R226 PolarHBondContact OE1-NH2 2.78Å; V201-R226 HydrophobicContact CG2-CB 3.79Å; V201-R226 HydrophobicContact CG2-CG 4Å; A215-R226 WeakPolarHBondContact O-CD 3.16Å; D216-R226 IonicContact OD1-CZ 2.72Å; D216-R226 IonicContact OD1-NH1 2.69Å; D216-R226 PolarHBondContact OD1-NH1 3.44Å; I222-R226 WeakPolarHBondContact O-CB 3.42Å; I222-R226 PolarHBondContact O-N 2.92Å; G223-R226 PolarHBondContact O-N 2.71Å; R226-M228 VanDerWaalsContact C-N 3.26Å; R226-M228 PolarHBondContact O-N 2.86Å; R226-L229 WeakPolarHBondContact O-CB 3.28Å; R226-L229 PolarHBondContact O-N 2.72Å; R226-E230 HydrophobicContact CG-CG 4.32Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.23Å; R226-E230 IonicContact CZ-OE1 2.72Å; R226-E230 IonicContact NE-OE1 2.67Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.39Å |
| 227 | F | 86.7 | Confident | 84.5 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -39.9 | 177.7 | 177.3 | -88.4 | 0 | 0 | 0 | 112.1 | G223 E230 S231 L270 | G223-F227 WeakPolarHBondContact O-CB 2.87Å; G223-F227 PolarHBondContact O-N 3.39Å; F227-E230 PolarHBondContact O-N 2.92Å; F227-S231 WeakPolarHBondContact CE1-OG 3.1Å; F227-S231 VanDerWaalsContact O-CB 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 2.87Å; F227-L270 HydrophobicContact CD1-CB 4.41Å; F227-L270 HydrophobicContact CD1-CD1 3.87Å; F227-L270 HydrophobicContact CE1-CB 4.24Å; F227-L270 HydrophobicContact CE1-CD1 4.47Å |
| 228 | M | 88 | Confident | 84.2 | Confident | 18 Ų | 18 | 38 Ų | 38 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.6 | -164.4 | -163.5 | -72.8 | 0 | 0 | 111.8 | A224 F225 R226 N232 F240 L243 M244 F247 L270 | A224-M228 WeakPolarHBondContact O-CB 3.49Å; A224-M228 PolarHBondContact O-N 3.38Å; F225-M228 WeakPolarHBondContact O-CB 3.28Å; F225-M228 PolarHBondContact O-N 2.85Å; R226-M228 VanDerWaalsContact C-N 3.26Å; R226-M228 PolarHBondContact O-N 2.86Å; M228-N232 PolarHBondContact O-N 3.38Å; M228-N232 PolarHBondContact O-ND2 2.87Å; M228-F240 HydrophobicContact CG-CE2 3.96Å; M228-F240 HydrophobicContact CG-CZ 4.4Å; M228-F240 HydrophobicContact SD-CE2 3.96Å; M228-F240 HydrophobicContact SD-CZ 3.97Å; M228-L243 HydrophobicContact CG-CD2 3.76Å; M228-L243 HydrophobicContact SD-CD2 4.06Å; M228-L243 HydrophobicContact SD-CG 4.25Å; M228-M244 HydrophobicContact SD-SD 3.67Å; M228-M244 VanDerWaalsContact SD-SD 3.67Å; M228-F247 HydrophobicContact CE-CB 4.48Å; M228-F247 HydrophobicContact CE-CD1 4.24Å; M228-F247 HydrophobicContact CE-CD2 3.65Å; M228-F247 HydrophobicContact CE-CE1 4.47Å; M228-F247 HydrophobicContact CE-CE2 3.93Å; M228-F247 HydrophobicContact CE-CG 3.83Å; M228-F247 HydrophobicContact CE-CZ 4.35Å; M228-L270 HydrophobicContact CB-CD2 4.11Å; M228-L270 HydrophobicContact CE-CD2 3.45Å; M228-L270 VanDerWaalsContact CE-CD2 3.45Å; M228-L270 HydrophobicContact CG-CD2 4.09Å |
| 229 | L | 89.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -46.7 | 175.3 | -69.9 | 168.7 | 0 | 0 | 0 | 111.9 | I192 F196 I197 F225 R226 S231 N232 K233 F240 | I192-L229 HydrophobicContact CD1-CD2 4.4Å; F196-L229 HydrophobicContact CE1-CD2 4.04Å; I197-L229 HydrophobicContact CD1-CB 4.38Å; I197-L229 HydrophobicContact CG1-CB 3.97Å; I197-L229 HydrophobicContact CG2-CB 4.27Å; I197-L229 HydrophobicContact CG2-CD1 4.44Å; F225-L229 HydrophobicContact CD1-CD1 4.2Å; F225-L229 HydrophobicContact CD2-CD1 4.47Å; F225-L229 HydrophobicContact CE1-CD1 3.78Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CE2-CD2 4.49Å; F225-L229 HydrophobicContact CE2-CG 4.21Å; F225-L229 HydrophobicContact CZ-CD1 3.7Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 3.34Å; F225-L229 PolarHBondContact O-N 3.08Å; R226-L229 WeakPolarHBondContact O-CB 3.28Å; R226-L229 PolarHBondContact O-N 2.72Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.36Å; L229-N232 CarbonylContact O-C 3.39Å; L229-N232 WeakPolarHBondContact O-CA 3.44Å; L229-N232 PolarHBondContact O-N 3.39Å; L229-K233 PolarHBondContact O-N 3.5Å; L229-K233 VanDerWaalsContact O-N 3.14Å; L229-F240 HydrophobicContact CD2-CD1 4.44Å; L229-F240 HydrophobicContact CD2-CE1 3.7Å; L229-F240 HydrophobicContact CD2-CE2 3.96Å; L229-F240 HydrophobicContact CD2-CZ 3.43Å; L229-F240 VanDerWaalsContact CD2-CZ 3.43Å; L229-F240 HydrophobicContact CG-CZ 4.12Å |
| 230 | E | 89.9 | Confident | 84.9 | Confident | 83 Ų | 83 | 37 Ų | 37 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 177.7 | -71.7 | 172.1 | 175.2 | 0 | 0 | 111.7 | I197 R226 F227 N232 K233 | I197-E230 HydrophobicContact CD1-CB 4.45Å; I197-E230 HydrophobicContact CD1-CG 3.85Å; I197-E230 HydrophobicContact CG2-CG 4.15Å; R226-E230 HydrophobicContact CG-CG 4.32Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.23Å; R226-E230 IonicContact CZ-OE1 2.72Å; R226-E230 IonicContact NE-OE1 2.67Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.39Å; F227-E230 PolarHBondContact O-N 2.92Å; E230-N232 PolarHBondContact O-N 3Å; E230-N232 VanDerWaalsContact O-N 3.13Å; E230-K233 VanDerWaalsContact O-CB 3.32Å; E230-K233 WeakPolarHBondContact O-CB 3.42Å; E230-K233 PolarHBondContact O-N 3.15Å |
| 231 | S | 86.9 | Confident | 84.8 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 44% | 0.441 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.2 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | F227 L229 | F227-S231 WeakPolarHBondContact CE1-OG 3.1Å; F227-S231 VanDerWaalsContact O-CB 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 2.87Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.36Å |
| 232 | N | 87.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 14.6 | 178.9 | -70.5 | -79 | 0 | 0 | 0 | 112.8 | I192 M228 L229 E230 G234 K235 F240 L243 | I192-N232 HydrophobicContact CD1-CB 3.86Å; M228-N232 PolarHBondContact O-N 3.38Å; M228-N232 PolarHBondContact O-ND2 2.87Å; L229-N232 CarbonylContact O-C 3.39Å; L229-N232 WeakPolarHBondContact O-CA 3.44Å; L229-N232 PolarHBondContact O-N 3.39Å; E230-N232 PolarHBondContact O-N 3Å; E230-N232 VanDerWaalsContact O-N 3.13Å; N232-G234 PolarHBondContact O-N 2.89Å; N232-K235 HydrophobicContact CB-CD 4.13Å; N232-K235 VanDerWaalsContact O-CB 3.28Å; N232-K235 WeakPolarHBondContact O-CB 3.45Å; N232-K235 WeakPolarHBondContact O-CG 3.44Å; N232-K235 PolarHBondContact O-N 2.9Å; N232-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 WeakPolarHBondContact OD1-CD 3.42Å; N232-K235 WeakPolarHBondContact OD1-CE 3.19Å; N232-K235 PolarHBondContact OD1-NZ 3.46Å; N232-F240 HydrophobicContact CB-CD2 3.82Å; N232-F240 HydrophobicContact CB-CE2 4.35Å; N232-L243 VanDerWaalsContact ND2-CD2 3.33Å; N232-L243 WeakPolarHBondContact ND2-CD2 3.37Å |
| 233 | K | 90.6 | Very high | 84.9 | Confident | 111 Ų | 111 | 39.1 Ų | 39.1 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 137.4 | 175.4 | -175.9 | 175.7 | 175.6 | 173.2 | 0 | 111.8 | D194 L229 E230 K235 | D194-K233 VanDerWaalsContact OD1-CE 3.27Å; D194-K233 WeakPolarHBondContact OD1-CE 3.21Å; D194-K233 IonicContact OD1-NZ 3.38Å; D194-K233 PolarHBondContact OD1-NZ 3.37Å; D194-K233 WeakPolarHBondContact OD2-CE 3.5Å; D194-K233 IonicContact OD2-NZ 2.63Å; D194-K233 PolarHBondContact OD2-NZ 2.94Å; L229-K233 PolarHBondContact O-N 3.5Å; L229-K233 VanDerWaalsContact O-N 3.14Å; E230-K233 VanDerWaalsContact O-CB 3.32Å; E230-K233 WeakPolarHBondContact O-CB 3.42Å; E230-K233 PolarHBondContact O-N 3.15Å; K233-K235 PolarHBondContact O-N 2.96Å |
| 234 | G | 86.8 | Confident | 84.9 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 38% | 0.381 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -22 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R191 I192 N232 | R191-G234 PolarHBondContact NH1-O 2.89Å; I192-G234 PolarHBondContact O-N 3.33Å; N232-G234 PolarHBondContact O-N 2.89Å |
| 235 | K | 86.3 | Confident | 85.3 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -67.9 | 157 | 173.5 | -58.6 | -172.2 | -172.2 | 173.7 | 0 | 111.3 | R191 I192 N232 K233 E239 | R191-K235 VanDerWaalsContact CA-O 3.3Å; R191-K235 WeakPolarHBondContact CA-O 3.21Å; I192-K235 PolarHBondContact N-O 3.35Å; N232-K235 HydrophobicContact CB-CD 4.13Å; N232-K235 VanDerWaalsContact O-CB 3.28Å; N232-K235 WeakPolarHBondContact O-CB 3.45Å; N232-K235 WeakPolarHBondContact O-CG 3.44Å; N232-K235 PolarHBondContact O-N 2.9Å; N232-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 WeakPolarHBondContact OD1-CD 3.42Å; N232-K235 WeakPolarHBondContact OD1-CE 3.19Å; N232-K235 PolarHBondContact OD1-NZ 3.46Å; K233-K235 PolarHBondContact O-N 2.96Å; K235-E239 HydrophobicContact CB-CB 4.22Å; K235-E239 HydrophobicContact CD-CB 4.34Å |
| 236 | S | 79.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 156 | 170.5 | 68 | 0 | 0 | 0 | 0 | 111.4 | L238 E239 F240 | S236-L238 PolarHBondContact O-N 3.11Å; S236-E239 VanDerWaalsContact CB-OE2 3.25Å; S236-E239 WeakPolarHBondContact CB-OE2 3.47Å; S236-E239 PolarHBondContact N-OE2 3Å; S236-E239 PolarHBondContact O-N 3.36Å; S236-E239 WeakPolarHBondContact OG-CG 3.37Å; S236-E239 PolarHBondContact OG-N 3.09Å; S236-E239 PolarHBondContact OG-OE2 2.84Å; S236-F240 PolarHBondContact O-N 3.3Å |
| 237 | M | 78.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -29.1 | 172.8 | -170.6 | 57.3 | 53.8 | 0 | 0 | 112.8 | R190 F196 F240 Q241 | R190-M237 PolarHBondContact O-N 3.06Å; F196-M237 HydrophobicContact CE1-CE 3.71Å; F196-M237 HydrophobicContact CE2-CE 4.12Å; F196-M237 HydrophobicContact CZ-CE 3.43Å; F196-M237 VanDerWaalsContact CZ-CE 3.43Å; M237-F240 PolarHBondContact O-N 3.13Å; M237-F240 HydrophobicContact SD-CD1 4.11Å; M237-Q241 WeakPolarHBondContact O-CB 3.27Å; M237-Q241 VanDerWaalsContact O-CG 3.28Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 3.07Å |
| 238 | L | 74.4 | Confident | 85.9 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 178.7 | -158.4 | 81.4 | 0 | 0 | 0 | 112.3 | W118 S156 N185 S236 F240 Q241 E242 | W118-L238 HydrophobicContact CH2-CD2 3.72Å; W118-L238 HydrophobicContact CZ2-CD2 4.27Å; S156-L238 WeakPolarHBondContact OG-CD1 3.3Å; N185-L238 HydrophobicContact CB-CB 4.44Å; S236-L238 PolarHBondContact O-N 3.11Å; L238-F240 VanDerWaalsContact C-N 3.29Å; L238-F240 PolarHBondContact O-N 3.24Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.13Å; L238-E242 PolarHBondContact O-N 3.07Å |
| 239 | E | 78.6 | Confident | 86.3 | Confident | 102 Ų | 102 | 34.7 Ų | 34.7 | 48% | 0.477 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 175.2 | -67.7 | 158.8 | 99.6 | 0 | 0 | 111.2 | K235 S236 | K235-E239 HydrophobicContact CB-CB 4.22Å; K235-E239 HydrophobicContact CD-CB 4.34Å; S236-E239 VanDerWaalsContact CB-OE2 3.25Å; S236-E239 WeakPolarHBondContact CB-OE2 3.47Å; S236-E239 PolarHBondContact N-OE2 3Å; S236-E239 PolarHBondContact O-N 3.36Å; S236-E239 WeakPolarHBondContact OG-CG 3.37Å; S236-E239 PolarHBondContact OG-N 3.09Å; S236-E239 PolarHBondContact OG-OE2 2.84Å |
| 240 | F | 83.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.7 | -32.5 | 175 | -173.6 | -108.8 | 0 | 0 | 0 | 112.9 | I192 M228 L229 N232 S236 M237 L238 E242 L243 M244 | I192-F240 HydrophobicContact CD1-CB 3.72Å; I192-F240 HydrophobicContact CD1-CD1 4.3Å; I192-F240 HydrophobicContact CD1-CD2 3.72Å; I192-F240 HydrophobicContact CD1-CE2 4.41Å; I192-F240 HydrophobicContact CD1-CG 3.65Å; M228-F240 HydrophobicContact CG-CE2 3.96Å; M228-F240 HydrophobicContact CG-CZ 4.4Å; M228-F240 HydrophobicContact SD-CE2 3.96Å; M228-F240 HydrophobicContact SD-CZ 3.97Å; L229-F240 HydrophobicContact CD2-CD1 4.44Å; L229-F240 HydrophobicContact CD2-CE1 3.7Å; L229-F240 HydrophobicContact CD2-CE2 3.96Å; L229-F240 HydrophobicContact CD2-CZ 3.43Å; L229-F240 VanDerWaalsContact CD2-CZ 3.43Å; L229-F240 HydrophobicContact CG-CZ 4.12Å; N232-F240 HydrophobicContact CB-CD2 3.82Å; N232-F240 HydrophobicContact CB-CE2 4.35Å; S236-F240 PolarHBondContact O-N 3.3Å; M237-F240 PolarHBondContact O-N 3.13Å; M237-F240 HydrophobicContact SD-CD1 4.11Å; L238-F240 VanDerWaalsContact C-N 3.29Å; L238-F240 PolarHBondContact O-N 3.24Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 2.87Å; F240-L243 PolarHBondContact O-N 3.11Å; F240-M244 HydrophobicContact CD1-CG 3.78Å; F240-M244 HydrophobicContact CE1-CG 3.44Å; F240-M244 VanDerWaalsContact CE1-CG 3.44Å; F240-M244 HydrophobicContact CE1-SD 3.7Å; F240-M244 HydrophobicContact CG-CG 4.48Å; F240-M244 HydrophobicContact CZ-CG 3.89Å; F240-M244 HydrophobicContact CZ-SD 3.66Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.35Å |
| 241 | Q | 82.3 | Confident | 86.6 | Confident | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -31.5 | 176.5 | -83.2 | 172.6 | -5.2 | 0 | 0 | 113.3 | M237 L238 M244 T245 | M237-Q241 WeakPolarHBondContact O-CB 3.27Å; M237-Q241 VanDerWaalsContact O-CG 3.28Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 3.07Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.13Å; Q241-M244 PolarHBondContact O-N 3.23Å; Q241-T245 WeakPolarHBondContact O-CB 3.36Å; Q241-T245 PolarHBondContact O-N 3.03Å; Q241-T245 PolarHBondContact O-OG1 2.97Å |
| 242 | E | 82.4 | Confident | 87 | Confident | 56 Ų | 56 | 32.9 Ų | 32.9 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 173.2 | 177.6 | 154.5 | -126.6 | 0 | 0 | 111.3 | L238 F240 M244 T245 V246 R323 | L238-E242 PolarHBondContact O-N 3.07Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 2.87Å; E242-M244 VanDerWaalsContact C-N 3.35Å; E242-M244 PolarHBondContact O-N 3.49Å; E242-T245 WeakPolarHBondContact O-CB 3.44Å; E242-T245 PolarHBondContact O-N 3.12Å; E242-V246 PolarHBondContact O-N 3.28Å; E242-V246 VanDerWaalsContact O-N 3.11Å; E242-R323 IonicContact OE1-CZ 3.68Å; E242-R323 IonicContact OE1-NH1 3.89Å; E242-R323 PolarHBondContact OE1-NH1 2.99Å; E242-R323 IonicContact OE1-NH2 2.94Å; E242-R323 PolarHBondContact OE1-NH2 2.8Å |
| 243 | L | 86.4 | Confident | 87.4 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.2 | -176.4 | 61.1 | 0 | 0 | 0 | 111.7 | M228 N232 F240 T245 V246 F247 Y273 | M228-L243 HydrophobicContact CG-CD2 3.76Å; M228-L243 HydrophobicContact SD-CD2 4.06Å; M228-L243 HydrophobicContact SD-CG 4.25Å; N232-L243 VanDerWaalsContact ND2-CD2 3.33Å; N232-L243 WeakPolarHBondContact ND2-CD2 3.37Å; F240-L243 PolarHBondContact O-N 3.11Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.11Å; L243-V246 PolarHBondContact O-N 3.12Å; L243-F247 HydrophobicContact CD1-CD2 3.91Å; L243-F247 HydrophobicContact CD1-CE2 3.76Å; L243-F247 HydrophobicContact CG-CD2 4.18Å; L243-F247 HydrophobicContact CG-CE2 4.35Å; L243-F247 WeakPolarHBondContact O-CD2 3.41Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-F247 VanDerWaalsContact O-N 3.07Å; L243-Y273 WeakPolarHBondContact CD1-O 3.39Å |
| 244 | M | 87.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 28.1 Ų | 28.1 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 175.7 | -72.1 | -58.1 | -54.4 | 0 | 0 | 112.4 | M228 F240 Q241 E242 F247 Q248 | M228-M244 HydrophobicContact SD-SD 3.67Å; M228-M244 VanDerWaalsContact SD-SD 3.67Å; F240-M244 HydrophobicContact CD1-CG 3.78Å; F240-M244 HydrophobicContact CE1-CG 3.44Å; F240-M244 VanDerWaalsContact CE1-CG 3.44Å; F240-M244 HydrophobicContact CE1-SD 3.7Å; F240-M244 HydrophobicContact CG-CG 4.48Å; F240-M244 HydrophobicContact CZ-CG 3.89Å; F240-M244 HydrophobicContact CZ-SD 3.66Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.35Å; Q241-M244 PolarHBondContact O-N 3.23Å; E242-M244 VanDerWaalsContact C-N 3.35Å; E242-M244 PolarHBondContact O-N 3.49Å; M244-F247 PolarHBondContact O-N 2.96Å; M244-Q248 WeakPolarHBondContact O-CB 3.49Å; M244-Q248 WeakPolarHBondContact O-CG 3.4Å; M244-Q248 PolarHBondContact O-N 2.72Å |
| 245 | T | 91.3 | Very high | 87.7 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | Q241 E242 L243 F247 Q248 L249 R323 F324 | Q241-T245 WeakPolarHBondContact O-CB 3.36Å; Q241-T245 PolarHBondContact O-N 3.03Å; Q241-T245 PolarHBondContact O-OG1 2.97Å; E242-T245 WeakPolarHBondContact O-CB 3.44Å; E242-T245 PolarHBondContact O-N 3.12Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.11Å; T245-F247 PolarHBondContact O-N 3.37Å; T245-Q248 PolarHBondContact O-N 3.41Å; T245-L249 HydrophobicContact CG2-CD1 4.07Å; T245-L249 WeakPolarHBondContact O-CG 3.31Å; T245-L249 PolarHBondContact O-N 2.96Å; T245-R323 HydrophobicContact CG2-CG 4.15Å; T245-F324 HydrophobicContact CG2-CB 4.37Å |
| 246 | V | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 175.3 | 167 | 0 | 0 | 0 | 0 | 111.2 | E242 L243 Q248 L249 L250 Y273 L278 M282 | E242-V246 PolarHBondContact O-N 3.28Å; E242-V246 VanDerWaalsContact O-N 3.11Å; L243-V246 PolarHBondContact O-N 3.12Å; V246-Q248 PolarHBondContact O-N 3.22Å; V246-L249 PolarHBondContact O-N 3.06Å; V246-L250 HydrophobicContact CG1-CD1 3.69Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 VanDerWaalsContact O-CG 3.29Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.2Å; V246-Y273 HydrophobicContact CG1-CD1 4.14Å; V246-Y273 HydrophobicContact CG1-CG 4.46Å; V246-L278 HydrophobicContact CG2-CB 4.03Å; V246-L278 HydrophobicContact CG2-CD1 4.49Å; V246-M282 HydrophobicContact CG1-CE 3.69Å |
| 247 | F | 91.3 | Very high | 88.5 | Confident | 24 Ų | 24 | 31 Ų | 31 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | 179.1 | -89.7 | -80.4 | 0 | 0 | 0 | 113.9 | M228 L243 M244 T245 H251 L256 V269 L270 Y273 | M228-F247 HydrophobicContact CE-CB 4.48Å; M228-F247 HydrophobicContact CE-CD1 4.24Å; M228-F247 HydrophobicContact CE-CD2 3.65Å; M228-F247 HydrophobicContact CE-CE1 4.47Å; M228-F247 HydrophobicContact CE-CE2 3.93Å; M228-F247 HydrophobicContact CE-CG 3.83Å; M228-F247 HydrophobicContact CE-CZ 4.35Å; L243-F247 HydrophobicContact CD1-CD2 3.91Å; L243-F247 HydrophobicContact CD1-CE2 3.76Å; L243-F247 HydrophobicContact CG-CD2 4.18Å; L243-F247 HydrophobicContact CG-CE2 4.35Å; L243-F247 WeakPolarHBondContact O-CD2 3.41Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-F247 VanDerWaalsContact O-N 3.07Å; M244-F247 PolarHBondContact O-N 2.96Å; T245-F247 PolarHBondContact O-N 3.37Å; F247-H251 PolarHBondContact O-N 2.84Å; F247-L256 HydrophobicContact CD1-CD1 4.23Å; F247-L256 HydrophobicContact CD1-CD2 4.28Å; F247-L256 HydrophobicContact CE1-CD2 4.24Å; F247-V269 HydrophobicContact CE1-CG1 3.94Å; F247-V269 HydrophobicContact CZ-CG1 4.31Å; F247-L270 HydrophobicContact CE1-CD2 4.23Å; F247-L270 HydrophobicContact CE2-CD2 4.16Å; F247-L270 HydrophobicContact CZ-CD2 3.75Å; F247-L270 HydrophobicContact CZ-CG 4.39Å; F247-Y273 HydrophobicContact CZ-CD2 4.46Å |
| 248 | Q | 92.9 | Very high | 89.2 | Confident | 38 Ų | 38 | 31.4 Ų | 31.4 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 174 | -72.5 | 165.7 | 3.9 | 0 | 0 | 111.3 | M244 T245 V246 H251 W252 F324 | M244-Q248 WeakPolarHBondContact O-CB 3.49Å; M244-Q248 WeakPolarHBondContact O-CG 3.4Å; M244-Q248 PolarHBondContact O-N 2.72Å; T245-Q248 PolarHBondContact O-N 3.41Å; V246-Q248 PolarHBondContact O-N 3.22Å; Q248-H251 PolarHBondContact O-N 3.3Å; Q248-W252 VanDerWaalsContact O-CB 3.32Å; Q248-W252 WeakPolarHBondContact O-CB 3.26Å; Q248-W252 PolarHBondContact O-N 3.21Å; Q248-F324 HydrophobicContact CB-CD2 3.65Å; Q248-F324 HydrophobicContact CB-CE2 3.53Å; Q248-F324 HydrophobicContact CB-CG 4.45Å; Q248-F324 HydrophobicContact CB-CZ 4.24Å |
| 249 | L | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | 176.4 | -70.2 | 168.7 | 0 | 0 | 0 | 112.1 | T245 V246 H251 W252 N253 L278 M286 F324 E327 K328 I331 | T245-L249 HydrophobicContact CG2-CD1 4.07Å; T245-L249 WeakPolarHBondContact O-CG 3.31Å; T245-L249 PolarHBondContact O-N 2.96Å; V246-L249 PolarHBondContact O-N 3.06Å; L249-H251 PolarHBondContact O-N 3.38Å; L249-W252 HydrophobicContact CD2-CE3 3.81Å; L249-W252 HydrophobicContact CD2-CZ3 4.02Å; L249-W252 PolarHBondContact O-N 3.18Å; L249-W252 VanDerWaalsContact O-N 3.13Å; L249-N253 PolarHBondContact O-N 3.02Å; L249-N253 PolarHBondContact O-OD1 3.08Å; L249-N253 VanDerWaalsContact O-OD1 3.09Å; L249-L278 HydrophobicContact CD1-CD1 3.97Å; L249-L278 HydrophobicContact CD1-CD2 3.34Å; L249-L278 HydrophobicContact CD1-CG 4.33Å; L249-M286 HydrophobicContact CB-CE 3.88Å; L249-M286 HydrophobicContact CB-SD 3.92Å; L249-F324 HydrophobicContact CD2-CD2 3.89Å; L249-F324 HydrophobicContact CD2-CE2 3.78Å; L249-F324 HydrophobicContact CG-CD2 3.98Å; L249-F324 HydrophobicContact CG-CE2 4.05Å; L249-E327 HydrophobicContact CD1-CB 3.84Å; L249-E327 HydrophobicContact CD2-CB 4.37Å; L249-K328 HydrophobicContact CD2-CG 3.84Å; L249-I331 HydrophobicContact CD1-CD1 4.28Å; L249-I331 HydrophobicContact CD2-CD1 4.17Å |
| 250 | L | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -28.3 | 175.5 | -74.2 | 167.4 | 0 | 0 | 0 | 112.9 | V246 N253 S255 L256 M259 Y273 M286 | V246-L250 HydrophobicContact CG1-CD1 3.69Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 VanDerWaalsContact O-CG 3.29Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.2Å; L250-N253 VanDerWaalsContact CA-OD1 3.27Å; L250-N253 WeakPolarHBondContact CA-OD1 3.21Å; L250-N253 PolarHBondContact O-OD1 3.23Å; L250-N253 VanDerWaalsContact O-OD1 3.07Å; L250-S255 PolarHBondContact O-N 2.82Å; L250-L256 HydrophobicContact CB-CD2 3.96Å; L250-L256 HydrophobicContact CB-CG 3.87Å; L250-L256 PolarHBondContact O-N 2.74Å; L250-M259 HydrophobicContact CD2-CE 4.39Å; L250-Y273 HydrophobicContact CD1-CD1 3.72Å; L250-Y273 HydrophobicContact CD1-CD2 3.64Å; L250-Y273 HydrophobicContact CD1-CE1 3.74Å; L250-Y273 HydrophobicContact CD1-CE2 3.68Å; L250-Y273 HydrophobicContact CD1-CG 3.67Å; L250-Y273 HydrophobicContact CD2-CE1 4.04Å; L250-Y273 HydrophobicContact CD2-CE2 4.33Å; L250-Y273 HydrophobicContact CG-CE1 4.49Å; L250-M286 HydrophobicContact CD2-CE 3.65Å; L250-M286 HydrophobicContact CG-CE 3.8Å |
| 251 | H | 91.9 | Very high | 91 | Very high | 66 Ų | 66 | 37 Ų | 37 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -76.2 | -52.5 | 169.9 | -179.7 | -93.2 | 0 | 0 | 0 | 111.7 | P54 F247 Q248 L249 N253 G254 L256 | P54-H251 WeakPolarHBondContact CD-CE1 3.46Å; P54-H251 WeakPolarHBondContact CD-NE2 3.19Å; P54-H251 HydrophobicContact CG-CB 3.55Å; P54-H251 WeakPolarHBondContact CG-CD2 3.18Å; P54-H251 WeakPolarHBondContact CG-ND1 3.28Å; F247-H251 PolarHBondContact O-N 2.84Å; Q248-H251 PolarHBondContact O-N 3.3Å; L249-H251 PolarHBondContact O-N 3.38Å; H251-N253 VanDerWaalsContact C-N 3.34Å; H251-N253 PolarHBondContact O-N 3.14Å; H251-G254 VanDerWaalsContact O-CA 3.31Å; H251-G254 WeakPolarHBondContact O-CA 3.3Å; H251-G254 PolarHBondContact O-N 3.07Å; H251-L256 HydrophobicContact CB-CD1 3.91Å; H251-L256 HydrophobicContact CB-CG 4.47Å |
| 252 | W | 95.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | -174.6 | 160.1 | 73.4 | 0 | 0 | 0 | 111.8 | Q248 L249 G254 W290 E304 F324 K328 I331 L332 | Q248-W252 VanDerWaalsContact O-CB 3.32Å; Q248-W252 WeakPolarHBondContact O-CB 3.26Å; Q248-W252 PolarHBondContact O-N 3.21Å; L249-W252 HydrophobicContact CD2-CE3 3.81Å; L249-W252 HydrophobicContact CD2-CZ3 4.02Å; L249-W252 PolarHBondContact O-N 3.18Å; L249-W252 VanDerWaalsContact O-N 3.13Å; W252-G254 PolarHBondContact O-N 3.02Å; W252-W290 HydrophobicContact CD2-CZ2 4.17Å; W252-W290 AromaticContact CE2-CZ2 3.48Å; W252-W290 VanDerWaalsContact CE2-CZ2 3.48Å; W252-W290 AromaticContact CH2-CE2 3.8Å; W252-W290 HydrophobicContact CH2-CZ2 4.09Å; W252-W290 AromaticContact CH2-NE1 3.15Å; W252-W290 AromaticContact CZ2-CE2 3.61Å; W252-W290 HydrophobicContact CZ2-CH2 4.45Å; W252-W290 AromaticContact CZ2-CZ2 3.45Å; W252-W290 HydrophobicContact CZ2-CZ2 3.45Å; W252-W290 VanDerWaalsContact CZ2-CZ2 3.45Å; W252-W290 AromaticContact CZ2-NE1 3.48Å; W252-W290 AromaticContact CZ3-NE1 3.51Å; W252-W290 AromaticContact NE1-CZ2 3.73Å; W252-E304 HydrophobicContact CZ2-CG 3.89Å; W252-E304 PolarHBondContact NE1-OE1 3.24Å; W252-F324 HydrophobicContact CB-CZ 4.34Å; W252-K328 HydrophobicContact CD2-CD 4.04Å; W252-K328 HydrophobicContact CD2-CG 3.8Å; W252-K328 VanDerWaalsContact CE2-CE 3.45Å; W252-K328 HydrophobicContact CE3-CG 3.92Å; W252-K328 HydrophobicContact CG-CD 4.19Å; W252-K328 HydrophobicContact CG-CG 4.39Å; W252-K328 HydrophobicContact CH2-CB 4.12Å; W252-K328 HydrophobicContact CH2-CG 4.04Å; W252-K328 HydrophobicContact CZ2-CB 4.18Å; W252-K328 HydrophobicContact CZ2-CD 4.33Å; W252-K328 HydrophobicContact CZ2-CG 3.94Å; W252-K328 HydrophobicContact CZ3-CB 4.45Å; W252-K328 HydrophobicContact CZ3-CG 4.04Å; W252-K328 VanDerWaalsContact NE1-CE 3.29Å; W252-I331 HydrophobicContact CH2-CG2 4.27Å; W252-I331 HydrophobicContact CZ3-CB 4.49Å; W252-I331 HydrophobicContact CZ3-CD1 4.39Å; W252-I331 HydrophobicContact CZ3-CG2 4.2Å; W252-L332 HydrophobicContact CH2-CD1 4.34Å; W252-L332 HydrophobicContact CH2-CD2 4.18Å; W252-L332 HydrophobicContact CH2-CG 3.94Å; W252-L332 HydrophobicContact CZ2-CD1 4Å; W252-L332 HydrophobicContact CZ2-CD2 4.04Å; W252-L332 HydrophobicContact CZ2-CG 3.99Å |
| 253 | N | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.3 | 174.1 | 95.1 | -50 | 0 | 0 | 0 | 112.7 | L249 L250 H251 S255 M286 D289 R293 | L249-N253 PolarHBondContact O-N 3.02Å; L249-N253 PolarHBondContact O-OD1 3.08Å; L249-N253 VanDerWaalsContact O-OD1 3.09Å; L250-N253 VanDerWaalsContact CA-OD1 3.27Å; L250-N253 WeakPolarHBondContact CA-OD1 3.21Å; L250-N253 PolarHBondContact O-OD1 3.23Å; L250-N253 VanDerWaalsContact O-OD1 3.07Å; H251-N253 VanDerWaalsContact C-N 3.34Å; H251-N253 PolarHBondContact O-N 3.14Å; N253-S255 PolarHBondContact ND2-OG 3.2Å; N253-S255 PolarHBondContact O-N 3.3Å; N253-S255 WeakPolarHBondContact OD1-CB 3.43Å; N253-S255 PolarHBondContact OD1-N 3.33Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å; N253-S255 PolarHBondContact OD1-OG 3.48Å; N253-S255 VanDerWaalsContact OD1-OG 3.11Å; N253-M286 HydrophobicContact CB-CB 4.43Å; N253-M286 HydrophobicContact CB-CG 4.34Å; N253-D289 PolarHBondContact ND2-OD2 2.91Å; N253-R293 VanDerWaalsContact O-CZ 3.27Å; N253-R293 PolarHBondContact O-NH1 2.88Å; N253-R293 PolarHBondContact O-NH2 2.84Å |
| 254 | G | 92.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 82.3 | -1.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | H251 W252 L256 K257 A258 | H251-G254 VanDerWaalsContact O-CA 3.31Å; H251-G254 WeakPolarHBondContact O-CA 3.3Å; H251-G254 PolarHBondContact O-N 3.07Å; W252-G254 PolarHBondContact O-N 3.02Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 3.48Å; G254-K257 WeakPolarHBondContact O-CA 3.31Å; G254-K257 VanDerWaalsContact O-CB 3.3Å; G254-K257 WeakPolarHBondContact O-CB 3.21Å; G254-K257 PolarHBondContact O-N 3.44Å; G254-A258 PolarHBondContact O-N 3.28Å; G254-A258 VanDerWaalsContact O-N 3.12Å |
| 255 | S | 92.7 | Very high | 92.2 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 179.9 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | L250 N253 K257 A258 M259 D289 | L250-S255 PolarHBondContact O-N 2.82Å; N253-S255 PolarHBondContact ND2-OG 3.2Å; N253-S255 PolarHBondContact O-N 3.3Å; N253-S255 WeakPolarHBondContact OD1-CB 3.43Å; N253-S255 PolarHBondContact OD1-N 3.33Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å; N253-S255 PolarHBondContact OD1-OG 3.48Å; N253-S255 VanDerWaalsContact OD1-OG 3.11Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.35Å; S255-A258 PolarHBondContact O-N 3.28Å; S255-M259 WeakPolarHBondContact O-CE 3.18Å; S255-M259 WeakPolarHBondContact O-CG 3.37Å; S255-M259 PolarHBondContact O-N 2.81Å; S255-D289 PolarHBondContact OG-OD2 2.9Å |
| 256 | L | 91.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -31.6 | 173 | -66.3 | -170.3 | 0 | 0 | 0 | 112.9 | F247 L250 H251 G254 M259 R260 V269 | F247-L256 HydrophobicContact CD1-CD1 4.23Å; F247-L256 HydrophobicContact CD1-CD2 4.28Å; F247-L256 HydrophobicContact CE1-CD2 4.24Å; L250-L256 HydrophobicContact CB-CD2 3.96Å; L250-L256 HydrophobicContact CB-CG 3.87Å; L250-L256 PolarHBondContact O-N 2.74Å; H251-L256 HydrophobicContact CB-CD1 3.91Å; H251-L256 HydrophobicContact CB-CG 4.47Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 3.48Å; L256-M259 HydrophobicContact CD2-CE 3.85Å; L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 PolarHBondContact O-N 3.4Å; L256-R260 VanDerWaalsContact O-N 3.13Å; L256-V269 HydrophobicContact CD2-CG1 3.85Å |
| 257 | K | 91.2 | Very high | 91.5 | Very high | 114 Ų | 114 | 62 Ų | 62 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.3 | -46.3 | 175.2 | -173.7 | -178.4 | -177.6 | -81.1 | 0 | 110.2 | G254 S255 M259 R260 E261 | G254-K257 WeakPolarHBondContact O-CA 3.31Å; G254-K257 VanDerWaalsContact O-CB 3.3Å; G254-K257 WeakPolarHBondContact O-CB 3.21Å; G254-K257 PolarHBondContact O-N 3.44Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.35Å; K257-M259 PolarHBondContact O-N 2.95Å; K257-R260 WeakPolarHBondContact O-CB 3.22Å; K257-R260 PolarHBondContact O-N 2.99Å; K257-E261 IonicContact NZ-OE1 3.64Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 WeakPolarHBondContact O-CG 3.36Å; K257-E261 PolarHBondContact O-N 2.86Å |
| 258 | A | 91.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G254 S255 E261 R262 | G254-A258 PolarHBondContact O-N 3.28Å; G254-A258 VanDerWaalsContact O-N 3.12Å; S255-A258 PolarHBondContact O-N 3.28Å; A258-E261 PolarHBondContact O-N 2.82Å; A258-R262 WeakPolarHBondContact O-CG 3.49Å; A258-R262 PolarHBondContact O-N 3.44Å |
| 259 | M | 92.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 15% | 0.148 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 173.8 | -77.8 | -177.8 | -85.9 | 0 | 0 | 112.1 | L250 S255 L256 K257 R262 Q263 C264 V269 Y273 | L250-M259 HydrophobicContact CD2-CE 4.39Å; S255-M259 WeakPolarHBondContact O-CE 3.18Å; S255-M259 WeakPolarHBondContact O-CG 3.37Å; S255-M259 PolarHBondContact O-N 2.81Å; L256-M259 HydrophobicContact CD2-CE 3.85Å; K257-M259 PolarHBondContact O-N 2.95Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.74Å; M259-Q263 PolarHBondContact O-N 3.21Å; M259-C264 HydrophobicContact CB-CB 4.05Å; M259-C264 WeakPolarHBondContact O-CB 3.43Å; M259-C264 PolarHBondContact O-N 2.97Å; M259-C264 PolarHBondContact O-SG 3.28Å; M259-V269 HydrophobicContact CB-CG2 4.31Å; M259-V269 HydrophobicContact CE-CG1 4.34Å; M259-V269 HydrophobicContact SD-CG1 4.13Å; M259-V269 HydrophobicContact SD-CG2 3.81Å; M259-Y273 HydrophobicContact CE-CE2 3.84Å; M259-Y273 HydrophobicContact SD-CE2 4.02Å |
| 260 | R | 89.8 | Confident | 90.7 | Very high | 97 Ų | 97 | 66 Ų | 66 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.2 | -176.2 | -166.4 | -61.7 | 144.8 | -6.3 | 112.1 | L256 K257 R262 Q263 | L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 PolarHBondContact O-N 3.4Å; L256-R260 VanDerWaalsContact O-N 3.13Å; K257-R260 WeakPolarHBondContact O-CB 3.22Å; K257-R260 PolarHBondContact O-N 2.99Å; R260-R262 VanDerWaalsContact C-N 3.27Å; R260-R262 PolarHBondContact O-N 2.72Å; R260-Q263 PolarHBondContact O-N 3.42Å |
| 261 | E | 92.8 | Very high | 90.3 | Very high | 115 Ų | 115 | 69 Ų | 69 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 177.4 | -72.6 | 164.1 | 179.7 | 0 | 0 | 111.8 | K257 A258 Q263 | K257-E261 IonicContact NZ-OE1 3.64Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 WeakPolarHBondContact O-CG 3.36Å; K257-E261 PolarHBondContact O-N 2.86Å; A258-E261 PolarHBondContact O-N 2.82Å; E261-Q263 PolarHBondContact O-N 2.78Å |
| 262 | R | 93.8 | Very high | 90.1 | Very high | 205 Ų | 205 | 71.9 Ų | 71.9 | 77% | 0.774 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 8.2 | 172.5 | -66.6 | 175.3 | -174.7 | -175.7 | 2.5 | 114.6 | A258 M259 R260 C264 | A258-R262 WeakPolarHBondContact O-CG 3.49Å; A258-R262 PolarHBondContact O-N 3.44Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.74Å; R260-R262 VanDerWaalsContact C-N 3.27Å; R260-R262 PolarHBondContact O-N 2.72Å; R262-C264 PolarHBondContact O-N 3.36Å |
| 263 | Q | 90.9 | Very high | 89.7 | Confident | 162 Ų | 162 | 71.1 Ų | 71.1 | 76% | 0.757 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 23.5 | -178 | -52.7 | -58.2 | -49.7 | 0 | 0 | 115.3 | M259 R260 E261 S265 | M259-Q263 PolarHBondContact O-N 3.21Å; R260-Q263 PolarHBondContact O-N 3.42Å; E261-Q263 PolarHBondContact O-N 2.78Å; Q263-S265 PolarHBondContact O-N 3.02Å |
| 264 | C | 90.3 | Very high | 89.2 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 35% | 0.345 | 36% | 0.36 | S | S | . | . | trans | -63.9 | 128.2 | 169.6 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | M259 R262 V269 | M259-C264 HydrophobicContact CB-CB 4.05Å; M259-C264 WeakPolarHBondContact O-CB 3.43Å; M259-C264 PolarHBondContact O-N 2.97Å; M259-C264 PolarHBondContact O-SG 3.28Å; R262-C264 PolarHBondContact O-N 3.36Å; C264-V269 HydrophobicContact CB-CG2 3.98Å | ||
| 265 | S | 87.7 | Confident | 88.5 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | trans | -70.2 | 155.6 | 176.6 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | Q263 Q267 E268 V269 | Q263-S265 PolarHBondContact O-N 3.02Å; S265-Q267 PolarHBondContact O-N 3.42Å; S265-E268 WeakPolarHBondContact CA-OE2 3.36Å; S265-E268 WeakPolarHBondContact CB-OE2 3.21Å; S265-E268 PolarHBondContact N-OE2 2.95Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 VanDerWaalsContact OG-CG 3.23Å; S265-E268 WeakPolarHBondContact OG-CG 3.47Å; S265-E268 PolarHBondContact OG-N 3.03Å; S265-E268 PolarHBondContact OG-OE2 3.38Å; S265-V269 WeakPolarHBondContact O-CG2 3.45Å; S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.16Å | ||
| 266 | R | 85.6 | Confident | 88 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -32.8 | 177.3 | -64.5 | -168.8 | -172.7 | 122.7 | 16.8 | 112.1 | S219 T220 A224 L270 | S219-R266 PolarHBondContact O-NH1 2.79Å; T220-R266 PolarHBondContact O-NH1 3.29Å; A224-R266 HydrophobicContact CB-CB 4.31Å; R266-L270 VanDerWaalsContact O-CB 3.28Å; R266-L270 WeakPolarHBondContact O-CB 3.28Å; R266-L270 VanDerWaalsContact O-CD1 3.28Å; R266-L270 WeakPolarHBondContact O-CD1 3.44Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 2.76Å |
| 267 | Q | 82.9 | Confident | 87.6 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 177.4 | -72.3 | 178.8 | -28 | 0 | 0 | 112.1 | P218 S265 L270 A271 | P218-Q267 HydrophobicContact CB-CG 4.34Å; S265-Q267 PolarHBondContact O-N 3.42Å; Q267-L270 PolarHBondContact O-N 3.43Å; Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 2.8Å |
| 268 | E | 87.9 | Confident | 87.4 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 175.2 | -70.3 | 159.2 | 134.5 | 0 | 0 | 111.7 | S265 L270 A271 H272 | S265-E268 WeakPolarHBondContact CA-OE2 3.36Å; S265-E268 WeakPolarHBondContact CB-OE2 3.21Å; S265-E268 PolarHBondContact N-OE2 2.95Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 VanDerWaalsContact OG-CG 3.23Å; S265-E268 WeakPolarHBondContact OG-CG 3.47Å; S265-E268 PolarHBondContact OG-N 3.03Å; S265-E268 PolarHBondContact OG-OE2 3.38Å; E268-L270 PolarHBondContact O-N 2.89Å; E268-A271 PolarHBondContact O-N 3.11Å; E268-H272 WeakPolarHBondContact O-CB 3.42Å; E268-H272 PolarHBondContact O-N 3.47Å |
| 269 | V | 89.3 | Confident | 87.3 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | F247 L256 M259 C264 S265 H272 Y273 | F247-V269 HydrophobicContact CE1-CG1 3.94Å; F247-V269 HydrophobicContact CZ-CG1 4.31Å; L256-V269 HydrophobicContact CD2-CG1 3.85Å; M259-V269 HydrophobicContact CB-CG2 4.31Å; M259-V269 HydrophobicContact CE-CG1 4.34Å; M259-V269 HydrophobicContact SD-CG1 4.13Å; M259-V269 HydrophobicContact SD-CG2 3.81Å; C264-V269 HydrophobicContact CB-CG2 3.98Å; S265-V269 WeakPolarHBondContact O-CG2 3.45Å; S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.16Å; V269-H272 PolarHBondContact O-N 2.77Å; V269-Y273 HydrophobicContact CG1-CD2 3.87Å; V269-Y273 HydrophobicContact CG1-CE2 4.09Å; V269-Y273 VanDerWaalsContact O-CD2 3.31Å; V269-Y273 WeakPolarHBondContact O-CD2 3.29Å; V269-Y273 PolarHBondContact O-N 3.31Å; V269-Y273 VanDerWaalsContact O-N 3.16Å |
| 270 | L | 86.2 | Confident | 87.2 | Confident | 12 Ų | 12 | 80.8 Ų | 80.8 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.7 | -74.2 | 162.1 | 0 | 0 | 0 | 111.6 | A224 F227 M228 F247 R266 Q267 E268 H272 Y273 S274 | A224-L270 HydrophobicContact CB-CD1 4.08Å; F227-L270 HydrophobicContact CD1-CB 4.41Å; F227-L270 HydrophobicContact CD1-CD1 3.87Å; F227-L270 HydrophobicContact CE1-CB 4.24Å; F227-L270 HydrophobicContact CE1-CD1 4.47Å; M228-L270 HydrophobicContact CB-CD2 4.11Å; M228-L270 HydrophobicContact CE-CD2 3.45Å; M228-L270 VanDerWaalsContact CE-CD2 3.45Å; M228-L270 HydrophobicContact CG-CD2 4.09Å; F247-L270 HydrophobicContact CE1-CD2 4.23Å; F247-L270 HydrophobicContact CE2-CD2 4.16Å; F247-L270 HydrophobicContact CZ-CD2 3.75Å; F247-L270 HydrophobicContact CZ-CG 4.39Å; R266-L270 VanDerWaalsContact O-CB 3.28Å; R266-L270 WeakPolarHBondContact O-CB 3.28Å; R266-L270 VanDerWaalsContact O-CD1 3.28Å; R266-L270 WeakPolarHBondContact O-CD1 3.44Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 2.76Å; Q267-L270 PolarHBondContact O-N 3.43Å; E268-L270 PolarHBondContact O-N 2.89Å; L270-H272 PolarHBondContact O-N 3.45Å; L270-Y273 PolarHBondContact O-N 3.19Å; L270-S274 WeakPolarHBondContact O-CA 3.28Å; L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.47Å |
| 271 | A | 85.4 | Confident | 87.4 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q267 E268 S274 | Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 2.8Å; E268-A271 PolarHBondContact O-N 3.11Å; A271-S274 PolarHBondContact O-OG 3.26Å; A271-S274 VanDerWaalsContact O-OG 3.1Å |
| 272 | H | 88 | Confident | 87.4 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.7 | -37.2 | -180 | -174.8 | 80 | 0 | 0 | 0 | 113.3 | E268 V269 L270 R276 | E268-H272 WeakPolarHBondContact O-CB 3.42Å; E268-H272 PolarHBondContact O-N 3.47Å; V269-H272 PolarHBondContact O-N 2.77Å; L270-H272 PolarHBondContact O-N 3.45Å; H272-R276 PolarHBondContact NE2-NH1 3.4Å; H272-R276 WeakPolarHBondContact O-CD 3.41Å; H272-R276 WeakPolarHBondContact O-CG 3.49Å |
| 273 | Y | 88 | Confident | 87.5 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -99.2 | -13.5 | -177.8 | -66.7 | -72.6 | 0 | 0 | 0 | 114.6 | L243 V246 F247 L250 M259 V269 L270 H275 R276 M282 | L243-Y273 WeakPolarHBondContact CD1-O 3.39Å; V246-Y273 HydrophobicContact CG1-CD1 4.14Å; V246-Y273 HydrophobicContact CG1-CG 4.46Å; F247-Y273 HydrophobicContact CZ-CD2 4.46Å; L250-Y273 HydrophobicContact CD1-CD1 3.72Å; L250-Y273 HydrophobicContact CD1-CD2 3.64Å; L250-Y273 HydrophobicContact CD1-CE1 3.74Å; L250-Y273 HydrophobicContact CD1-CE2 3.68Å; L250-Y273 HydrophobicContact CD1-CG 3.67Å; L250-Y273 HydrophobicContact CD2-CE1 4.04Å; L250-Y273 HydrophobicContact CD2-CE2 4.33Å; L250-Y273 HydrophobicContact CG-CE1 4.49Å; M259-Y273 HydrophobicContact CE-CE2 3.84Å; M259-Y273 HydrophobicContact SD-CE2 4.02Å; V269-Y273 HydrophobicContact CG1-CD2 3.87Å; V269-Y273 HydrophobicContact CG1-CE2 4.09Å; V269-Y273 VanDerWaalsContact O-CD2 3.31Å; V269-Y273 WeakPolarHBondContact O-CD2 3.29Å; V269-Y273 PolarHBondContact O-N 3.31Å; V269-Y273 VanDerWaalsContact O-N 3.16Å; L270-Y273 PolarHBondContact O-N 3.19Å; Y273-H275 PolarHBondContact O-N 3.48Å; Y273-R276 PolarHBondContact O-N 2.94Å; Y273-R276 VanDerWaalsContact O-N 3.16Å; Y273-M282 HydrophobicContact CD1-CE 3.91Å; Y273-M282 HydrophobicContact CD1-SD 4.4Å; Y273-M282 HydrophobicContact CE1-CE 3.77Å; Y273-M282 HydrophobicContact CE1-SD 4.27Å |
| 274 | S | 82.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.4 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 115.2 | L270 A271 | L270-S274 WeakPolarHBondContact O-CA 3.28Å; L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.47Å; A271-S274 PolarHBondContact O-OG 3.26Å; A271-S274 VanDerWaalsContact O-OG 3.1Å |
| 275 | H | 77.9 | Confident | 87.9 | Confident | 155 Ų | 155 | 68 Ų | 68 | 72% | 0.718 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 2.4 | -178 | -58 | -60.5 | 0 | 0 | 0 | 113.6 | Y273 | Y273-H275 PolarHBondContact O-N 3.48Š|
| 276 | R | 82.6 | Confident | 88.3 | Confident | 73 Ų | 73 | 66 Ų | 66 | 28% | 0.275 | 33% | 0.332 | S | S | . | . | trans | -90.7 | 120.5 | 176.4 | -70.2 | -167.5 | 67.4 | 178.2 | 2.5 | 110.1 | H272 Y273 D279 M282 | H272-R276 PolarHBondContact NE2-NH1 3.4Å; H272-R276 WeakPolarHBondContact O-CD 3.41Å; H272-R276 WeakPolarHBondContact O-CG 3.49Å; Y273-R276 PolarHBondContact O-N 2.94Å; Y273-R276 VanDerWaalsContact O-N 3.16Å; R276-D279 IonicContact CZ-OD2 3.67Å; R276-D279 IonicContact NE-OD2 2.8Å; R276-D279 IonicContact NH2-OD1 2.76Å; R276-D279 PolarHBondContact NH2-OD1 3.42Å; R276-D279 IonicContact NH2-OD2 3.73Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; R276-M282 HydrophobicContact CB-SD 4.35Å | ||
| 277 | A | 82.4 | Confident | 88.9 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | trans | -71.6 | 163.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D279 | A277-D279 VanDerWaalsContact C-N 3.34Å; A277-D279 PolarHBondContact O-N 2.9Å | ||
| 278 | L | 86.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | trans | -74.6 | 90.4 | 173.1 | -171.1 | 61.3 | 0 | 0 | 0 | 109.7 | V246 L249 M282 R283 E327 | V246-L278 HydrophobicContact CG2-CB 4.03Å; V246-L278 HydrophobicContact CG2-CD1 4.49Å; L249-L278 HydrophobicContact CD1-CD1 3.97Å; L249-L278 HydrophobicContact CD1-CD2 3.34Å; L249-L278 HydrophobicContact CD1-CG 4.33Å; L278-M282 HydrophobicContact CD1-CB 4.16Å; L278-M282 HydrophobicContact CD1-CE 4.22Å; L278-R283 VanDerWaalsContact O-CZ 3.32Å; L278-R283 PolarHBondContact O-NH1 3.15Å; L278-R283 PolarHBondContact O-NH2 3.03Å; L278-E327 HydrophobicContact CD2-CB 3.97Å; L278-E327 HydrophobicContact CD2-CG 3.62Å; L278-E327 WeakPolarHBondContact CD2-OE1 3.4Å; L278-E327 WeakPolarHBondContact CD2-OE2 3.26Å | ||
| 279 | D | 89.4 | Confident | 89.8 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | trans | -89.9 | 169.8 | -178.6 | 60.4 | 40.1 | 0 | 0 | 0 | 112.6 | R276 A277 D281 M282 R283 | R276-D279 IonicContact CZ-OD2 3.67Å; R276-D279 IonicContact NE-OD2 2.8Å; R276-D279 IonicContact NH2-OD1 2.76Å; R276-D279 PolarHBondContact NH2-OD1 3.42Å; R276-D279 IonicContact NH2-OD2 3.73Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; A277-D279 VanDerWaalsContact C-N 3.34Å; A277-D279 PolarHBondContact O-N 2.9Å; D279-D281 VanDerWaalsContact C-N 3.31Å; D279-D281 PolarHBondContact O-N 3.07Å; D279-D281 PolarHBondContact OD1-N 3.31Å; D279-M282 PolarHBondContact O-N 2.97Å; D279-M282 VanDerWaalsContact OD1-CB 3.32Å; D279-M282 WeakPolarHBondContact OD1-CB 3.28Å; D279-M282 WeakPolarHBondContact OD1-CG 3.48Å; D279-M282 PolarHBondContact OD1-N 3.18Å; D279-R283 PolarHBondContact O-N 3.25Å | ||
| 280 | D | 91.8 | Very high | 90.1 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 60% | 0.599 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.9 | -26 | -176 | -63.6 | -26.3 | 0 | 0 | 0 | 112.6 | R283 T284 | D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 2.86Å; D280-R283 IonicContact OD1-NH1 3.71Å; D280-R283 PolarHBondContact OD1-NH1 3.45Å; D280-T284 VanDerWaalsContact O-CB 3.23Å; D280-T284 WeakPolarHBondContact O-CB 3.41Å; D280-T284 PolarHBondContact O-N 2.76Å; D280-T284 PolarHBondContact O-OG1 3.3Å |
| 281 | D | 92.9 | Very high | 90.5 | Very high | 127 Ų | 127 | 54 Ų | 54 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 171.2 | -70 | -19.5 | 0 | 0 | 0 | 110.5 | D279 T284 Q285 | D279-D281 VanDerWaalsContact C-N 3.31Å; D279-D281 PolarHBondContact O-N 3.07Å; D279-D281 PolarHBondContact OD1-N 3.31Å; D281-T284 PolarHBondContact O-N 3.07Å; D281-Q285 WeakPolarHBondContact O-CB 3.35Å; D281-Q285 PolarHBondContact O-N 3.38Å |
| 282 | M | 92.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.4 | -75.6 | 179.5 | 65.3 | 0 | 0 | 111.6 | V246 Y273 R276 L278 D279 T284 Q285 M286 | V246-M282 HydrophobicContact CG1-CE 3.69Å; Y273-M282 HydrophobicContact CD1-CE 3.91Å; Y273-M282 HydrophobicContact CD1-SD 4.4Å; Y273-M282 HydrophobicContact CE1-CE 3.77Å; Y273-M282 HydrophobicContact CE1-SD 4.27Å; R276-M282 HydrophobicContact CB-SD 4.35Å; L278-M282 HydrophobicContact CD1-CB 4.16Å; L278-M282 HydrophobicContact CD1-CE 4.22Å; D279-M282 PolarHBondContact O-N 2.97Å; D279-M282 VanDerWaalsContact OD1-CB 3.32Å; D279-M282 WeakPolarHBondContact OD1-CB 3.28Å; D279-M282 WeakPolarHBondContact OD1-CG 3.48Å; D279-M282 PolarHBondContact OD1-N 3.18Å; M282-T284 VanDerWaalsContact C-N 3.32Å; M282-T284 PolarHBondContact O-N 2.91Å; M282-Q285 PolarHBondContact O-N 3.11Å; M282-M286 HydrophobicContact CE-CE 4.18Å; M282-M286 WeakPolarHBondContact O-CB 3.42Å; M282-M286 WeakPolarHBondContact O-CG 3.5Å; M282-M286 PolarHBondContact O-N 3.49Å |
| 283 | R | 96 | Very high | 91.2 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 18% | 0.181 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 174.8 | -68.6 | -176.6 | -173.8 | 82.5 | 16.8 | 111.6 | L278 D279 D280 M286 A287 E327 I331 L334 | L278-R283 VanDerWaalsContact O-CZ 3.32Å; L278-R283 PolarHBondContact O-NH1 3.15Å; L278-R283 PolarHBondContact O-NH2 3.03Å; D279-R283 PolarHBondContact O-N 3.25Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 2.86Å; D280-R283 IonicContact OD1-NH1 3.71Å; D280-R283 PolarHBondContact OD1-NH1 3.45Å; R283-M286 PolarHBondContact O-N 3.2Å; R283-A287 WeakPolarHBondContact O-CB 3.37Å; R283-A287 PolarHBondContact O-N 3.46Å; R283-E327 IonicContact CZ-OE1 3.36Å; R283-E327 IonicContact CZ-OE2 3.95Å; R283-E327 IonicContact NE-OE1 2.77Å; R283-E327 IonicContact NE-OE2 3.48Å; R283-E327 PolarHBondContact NE-OE2 3.18Å; R283-E327 IonicContact NH2-OE1 3.38Å; R283-E327 PolarHBondContact NH2-OE1 2.98Å; R283-E327 IonicContact NH2-OE2 2.72Å; R283-E327 PolarHBondContact NH2-OE2 3.22Å; R283-E327 VanDerWaalsContact NH2-OE2 3.1Å; R283-I331 HydrophobicContact CB-CG1 4.16Å; R283-I331 HydrophobicContact CG-CD1 4.49Å; R283-I331 HydrophobicContact CG-CG1 4.09Å; R283-L334 HydrophobicContact CB-CD2 4.25Å |
| 284 | T | 95.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | D280 D281 M282 A287 A288 | D280-T284 VanDerWaalsContact O-CB 3.23Å; D280-T284 WeakPolarHBondContact O-CB 3.41Å; D280-T284 PolarHBondContact O-N 2.76Å; D280-T284 PolarHBondContact O-OG1 3.3Å; D281-T284 PolarHBondContact O-N 3.07Å; M282-T284 VanDerWaalsContact C-N 3.32Å; M282-T284 PolarHBondContact O-N 2.91Å; T284-A287 PolarHBondContact O-N 2.99Å; T284-A288 WeakPolarHBondContact O-CB 3.36Å; T284-A288 PolarHBondContact O-N 3.42Å |
| 285 | Q | 94.4 | Very high | 91.9 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.2 | -177.4 | 60.8 | 64.9 | 0 | 0 | 111.8 | D281 M282 A287 A288 D289 | D281-Q285 WeakPolarHBondContact O-CB 3.35Å; D281-Q285 PolarHBondContact O-N 3.38Å; M282-Q285 PolarHBondContact O-N 3.11Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.32Å; Q285-A288 PolarHBondContact O-N 2.9Å; Q285-D289 PolarHBondContact NE2-OD1 3.03Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.11Å; Q285-D289 PolarHBondContact O-N 2.71Å |
| 286 | M | 96.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176 | -68.5 | -179 | 178.4 | 0 | 0 | 111.6 | L249 L250 N253 M282 R283 D289 W290 I331 | L249-M286 HydrophobicContact CB-CE 3.88Å; L249-M286 HydrophobicContact CB-SD 3.92Å; L250-M286 HydrophobicContact CD2-CE 3.65Å; L250-M286 HydrophobicContact CG-CE 3.8Å; N253-M286 HydrophobicContact CB-CB 4.43Å; N253-M286 HydrophobicContact CB-CG 4.34Å; M282-M286 HydrophobicContact CE-CE 4.18Å; M282-M286 WeakPolarHBondContact O-CB 3.42Å; M282-M286 WeakPolarHBondContact O-CG 3.5Å; M282-M286 PolarHBondContact O-N 3.49Å; R283-M286 PolarHBondContact O-N 3.2Å; M286-D289 PolarHBondContact O-N 2.93Å; M286-W290 PolarHBondContact O-N 3.13Å; M286-I331 HydrophobicContact CB-CD1 4.23Å; M286-I331 HydrophobicContact CB-CG2 3.75Å; M286-I331 HydrophobicContact SD-CD1 3.66Å |
| 287 | A | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R283 T284 Q285 D289 W290 V291 I331 L334 A335 | R283-A287 WeakPolarHBondContact O-CB 3.37Å; R283-A287 PolarHBondContact O-N 3.46Å; T284-A287 PolarHBondContact O-N 2.99Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.32Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.27Å; A287-W290 WeakPolarHBondContact O-CA 3.46Å; A287-W290 WeakPolarHBondContact O-CB 3.06Å; A287-W290 PolarHBondContact O-N 3.34Å; A287-V291 WeakPolarHBondContact O-CG2 3.23Å; A287-V291 PolarHBondContact O-N 3.03Å; A287-I331 HydrophobicContact CB-CG2 4.34Å; A287-L334 HydrophobicContact CB-CB 4.06Å; A287-L334 HydrophobicContact CB-CD2 3.88Å; A287-L334 HydrophobicContact CB-CG 3.84Å; A287-A335 HydrophobicContact CB-CB 4.01Å; A287-A335 WeakPolarHBondContact O-CB 3.49Å |
| 288 | A | 95.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T284 Q285 W290 V291 N292 | T284-A288 WeakPolarHBondContact O-CB 3.36Å; T284-A288 PolarHBondContact O-N 3.42Å; Q285-A288 PolarHBondContact O-N 2.9Å; A288-W290 VanDerWaalsContact C-N 3.26Å; A288-W290 PolarHBondContact O-N 3.26Å; A288-V291 PolarHBondContact O-N 3.32Å; A288-N292 VanDerWaalsContact O-CG 3.28Å; A288-N292 PolarHBondContact O-N 3.41Å; A288-N292 PolarHBondContact O-ND2 3.31Å |
| 289 | D | 94.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 173.1 | -68.6 | -8.1 | 0 | 0 | 0 | 112 | N253 S255 Q285 M286 A287 R293 | N253-D289 PolarHBondContact ND2-OD2 2.91Å; S255-D289 PolarHBondContact OG-OD2 2.9Å; Q285-D289 PolarHBondContact NE2-OD1 3.03Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.11Å; Q285-D289 PolarHBondContact O-N 2.71Å; M286-D289 PolarHBondContact O-N 2.93Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.34Å |
| 290 | W | 95.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 173.3 | -78.4 | 110.5 | 0 | 0 | 0 | 113 | W252 M286 A287 A288 N292 R293 E294 T300 I301 E304 L332 A335 | W252-W290 HydrophobicContact CD2-CZ2 4.17Å; W252-W290 AromaticContact CE2-CZ2 3.48Å; W252-W290 VanDerWaalsContact CE2-CZ2 3.48Å; W252-W290 AromaticContact CH2-CE2 3.8Å; W252-W290 HydrophobicContact CH2-CZ2 4.09Å; W252-W290 AromaticContact CH2-NE1 3.15Å; W252-W290 AromaticContact CZ2-CE2 3.61Å; W252-W290 HydrophobicContact CZ2-CH2 4.45Å; W252-W290 AromaticContact CZ2-CZ2 3.45Å; W252-W290 HydrophobicContact CZ2-CZ2 3.45Å; W252-W290 VanDerWaalsContact CZ2-CZ2 3.45Å; W252-W290 AromaticContact CZ2-NE1 3.48Å; W252-W290 AromaticContact CZ3-NE1 3.51Å; W252-W290 AromaticContact NE1-CZ2 3.73Å; M286-W290 PolarHBondContact O-N 3.13Å; A287-W290 WeakPolarHBondContact O-CA 3.46Å; A287-W290 WeakPolarHBondContact O-CB 3.06Å; A287-W290 PolarHBondContact O-N 3.34Å; A288-W290 VanDerWaalsContact C-N 3.26Å; A288-W290 PolarHBondContact O-N 3.26Å; W290-N292 VanDerWaalsContact C-N 3.29Å; W290-N292 PolarHBondContact O-N 3.42Å; W290-R293 WeakPolarHBondContact O-CB 3.33Å; W290-R293 PolarHBondContact O-N 3.38Å; W290-E294 PolarHBondContact O-N 3.48Å; W290-T300 HydrophobicContact CE3-CG2 4.21Å; W290-T300 HydrophobicContact CZ3-CG2 3.83Å; W290-I301 HydrophobicContact CB-CD1 4.25Å; W290-I301 HydrophobicContact CB-CG1 4.24Å; W290-E304 HydrophobicContact CH2-CB 4.2Å; W290-E304 HydrophobicContact CH2-CG 3.69Å; W290-E304 HydrophobicContact CZ2-CG 4.03Å; W290-E304 HydrophobicContact CZ3-CB 4.16Å; W290-E304 HydrophobicContact CZ3-CG 4.14Å; W290-L332 HydrophobicContact CD2-CD2 3.91Å; W290-L332 HydrophobicContact CE3-CD2 4.33Å; W290-L332 HydrophobicContact CG-CD2 4.06Å; W290-A335 HydrophobicContact CB-CB 3.98Å |
| 291 | V | 95.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | A287 A288 R293 E294 Q295 A335 Q338 L339 | A287-V291 WeakPolarHBondContact O-CG2 3.23Å; A287-V291 PolarHBondContact O-N 3.03Å; A288-V291 PolarHBondContact O-N 3.32Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 2.92Å; V291-E294 PolarHBondContact O-N 2.66Å; V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 3.06Å; V291-A335 HydrophobicContact CG2-CB 3.96Å; V291-Q338 HydrophobicContact CG2-CB 3.97Å; V291-L339 HydrophobicContact CG1-CD2 3.91Å; V291-L339 HydrophobicContact CG1-CG 4.32Å; V291-L339 HydrophobicContact CG2-CG 4.22Å |
| 292 | N | 93.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -28.9 | 176.7 | -70.3 | -39.5 | 0 | 0 | 0 | 113.2 | A288 W290 | A288-N292 VanDerWaalsContact O-CG 3.28Å; A288-N292 PolarHBondContact O-N 3.41Å; A288-N292 PolarHBondContact O-ND2 3.31Å; W290-N292 VanDerWaalsContact C-N 3.29Å; W290-N292 PolarHBondContact O-N 3.42Å |
| 293 | R | 93.7 | Very high | 94.8 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74 | -41.8 | 173.9 | -73.4 | 175.2 | 177.5 | 132.8 | 19.5 | 112.7 | N253 D289 W290 V291 Q295 G296 V297 T300 | N253-R293 VanDerWaalsContact O-CZ 3.27Å; N253-R293 PolarHBondContact O-NH1 2.88Å; N253-R293 PolarHBondContact O-NH2 2.84Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.34Å; W290-R293 WeakPolarHBondContact O-CB 3.33Å; W290-R293 PolarHBondContact O-N 3.38Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 2.92Å; R293-Q295 PolarHBondContact O-N 3.29Å; R293-G296 WeakPolarHBondContact O-CA 3.36Å; R293-G296 PolarHBondContact O-N 3.15Å; R293-V297 PolarHBondContact O-N 3.18Å; R293-T300 HydrophobicContact CB-CG2 4.24Å |
| 294 | E | 94.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 178.1 | -169.6 | 66.3 | -166 | 0 | 0 | 111.5 | W290 V291 G296 V297 A298 G299 T300 I301 L339 | W290-E294 PolarHBondContact O-N 3.48Å; V291-E294 PolarHBondContact O-N 2.66Å; E294-G296 VanDerWaalsContact C-N 3.28Å; E294-G296 PolarHBondContact O-N 3.4Å; E294-V297 CarbonylContact O-C 3.25Å; E294-V297 VanDerWaalsContact O-C 3.25Å; E294-V297 PolarHBondContact O-N 2.88Å; E294-A298 PolarHBondContact O-N 3.41Å; E294-G299 WeakPolarHBondContact OE1-CA 3.43Å; E294-G299 PolarHBondContact OE1-N 3.22Å; E294-T300 WeakPolarHBondContact OE2-CA 3.27Å; E294-T300 PolarHBondContact OE2-N 2.99Å; E294-I301 HydrophobicContact CB-CD1 3.79Å; E294-I301 HydrophobicContact CB-CG1 4.13Å; E294-I301 HydrophobicContact CG-CD1 4.19Å; E294-I301 PolarHBondContact OE2-N 3.37Å; E294-L339 HydrophobicContact CB-CD1 4.2Å; E294-L339 HydrophobicContact CG-CD1 3.83Å |
| 295 | Q | 90.6 | Very high | 94.9 | Very high | 143 Ų | 143 | 54.7 Ų | 54.7 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | 173.7 | -67.8 | 174.5 | 16 | 0 | 0 | 113.4 | V291 R293 | V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 3.06Å; R293-Q295 PolarHBondContact O-N 3.29Å |
| 296 | G | 91.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 67% | 0.67 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -84.5 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R293 E294 | R293-G296 WeakPolarHBondContact O-CA 3.36Å; R293-G296 PolarHBondContact O-N 3.15Å; E294-G296 VanDerWaalsContact C-N 3.28Å; E294-G296 PolarHBondContact O-N 3.4Å |
| 297 | V | 93.2 | Very high | 95.1 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -141.1 | 101.5 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | R293 E294 T300 | R293-V297 PolarHBondContact O-N 3.18Å; E294-V297 CarbonylContact O-C 3.25Å; E294-V297 VanDerWaalsContact O-C 3.25Å; E294-V297 PolarHBondContact O-N 2.88Å; V297-T300 WeakPolarHBondContact CB-OG1 3.46Å; V297-T300 WeakPolarHBondContact O-CB 3.25Å; V297-T300 PolarHBondContact O-N 3.33Å; V297-T300 PolarHBondContact O-OG1 2.84Å |
| 298 | A | 93.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 69% | 0.694 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E294 | E294-A298 PolarHBondContact O-N 3.41Š|
| 299 | G | 93.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 1.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E294 A302 Q303 | E294-G299 WeakPolarHBondContact OE1-CA 3.43Å; E294-G299 PolarHBondContact OE1-N 3.22Å; G299-A302 PolarHBondContact O-N 2.67Å; G299-Q303 WeakPolarHBondContact O-CB 3.49Å; G299-Q303 VanDerWaalsContact O-CG 3.24Å; G299-Q303 WeakPolarHBondContact O-CG 3.41Å; G299-Q303 PolarHBondContact O-N 2.59Å |
| 300 | T | 95.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -47.7 | -179.5 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | W290 R293 E294 V297 Q303 E304 | W290-T300 HydrophobicContact CE3-CG2 4.21Å; W290-T300 HydrophobicContact CZ3-CG2 3.83Å; R293-T300 HydrophobicContact CB-CG2 4.24Å; E294-T300 WeakPolarHBondContact OE2-CA 3.27Å; E294-T300 PolarHBondContact OE2-N 2.99Å; V297-T300 WeakPolarHBondContact CB-OG1 3.46Å; V297-T300 WeakPolarHBondContact O-CB 3.25Å; V297-T300 PolarHBondContact O-N 3.33Å; V297-T300 PolarHBondContact O-OG1 2.84Å; T300-Q303 PolarHBondContact O-N 2.77Å; T300-E304 PolarHBondContact O-N 3.39Å |
| 301 | I | 96.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.3 | -65.9 | 174.5 | 0 | 0 | 0 | 110.2 | W290 E294 Q303 E304 V305 L332 A335 V336 L339 | W290-I301 HydrophobicContact CB-CD1 4.25Å; W290-I301 HydrophobicContact CB-CG1 4.24Å; E294-I301 HydrophobicContact CB-CD1 3.79Å; E294-I301 HydrophobicContact CB-CG1 4.13Å; E294-I301 HydrophobicContact CG-CD1 4.19Å; E294-I301 PolarHBondContact OE2-N 3.37Å; I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.95Å; I301-E304 PolarHBondContact O-N 3.03Å; I301-V305 HydrophobicContact CG2-CG2 4.18Å; I301-V305 WeakPolarHBondContact O-CB 3.49Å; I301-V305 VanDerWaalsContact O-CG2 3.28Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 3.16Å; I301-L332 HydrophobicContact CG2-CD2 4.3Å; I301-A335 HydrophobicContact CD1-CB 3.93Å; I301-V336 HydrophobicContact CG2-CG2 3.64Å; I301-L339 HydrophobicContact CD1-CD1 3.65Å |
| 302 | A | 96.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G299 A306 | G299-A302 PolarHBondContact O-N 2.67Å; A302-A306 PolarHBondContact O-N 3.41Å |
| 303 | Q | 97 | Very high | 95.7 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 174 | -72.9 | 172 | 35 | 0 | 0 | 111.9 | G299 T300 I301 A306 A307 | G299-Q303 WeakPolarHBondContact O-CB 3.49Å; G299-Q303 VanDerWaalsContact O-CG 3.24Å; G299-Q303 WeakPolarHBondContact O-CG 3.41Å; G299-Q303 PolarHBondContact O-N 2.59Å; T300-Q303 PolarHBondContact O-N 2.77Å; I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.95Å; Q303-A306 PolarHBondContact O-N 2.79Å; Q303-A307 PolarHBondContact O-N 3.35Å |
| 304 | E | 97.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 20% | 0.201 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -33.7 | -179.8 | -171.7 | 62 | -148.3 | 0 | 0 | 112.3 | W252 W290 T300 I301 A307 T308 K328 L332 | W252-E304 HydrophobicContact CZ2-CG 3.89Å; W252-E304 PolarHBondContact NE1-OE1 3.24Å; W290-E304 HydrophobicContact CH2-CB 4.2Å; W290-E304 HydrophobicContact CH2-CG 3.69Å; W290-E304 HydrophobicContact CZ2-CG 4.03Å; W290-E304 HydrophobicContact CZ3-CB 4.16Å; W290-E304 HydrophobicContact CZ3-CG 4.14Å; T300-E304 PolarHBondContact O-N 3.39Å; I301-E304 PolarHBondContact O-N 3.03Å; E304-A307 PolarHBondContact O-N 3.05Å; E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 2.82Å; E304-K328 WeakPolarHBondContact OE1-CE 3.24Å; E304-K328 IonicContact OE1-NZ 3.01Å; E304-K328 PolarHBondContact OE1-NZ 2.99Å; E304-L332 HydrophobicContact CB-CD1 4.33Å; E304-L332 HydrophobicContact CB-CD2 4.09Å; E304-L332 HydrophobicContact CG-CD1 3.84Å; E304-L332 HydrophobicContact CG-CD2 3.9Å; E304-L332 HydrophobicContact CG-CG 4.49Å |
| 305 | V | 97.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 171.5 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | I301 A307 T308 D309 L332 | I301-V305 HydrophobicContact CG2-CG2 4.18Å; I301-V305 WeakPolarHBondContact O-CB 3.49Å; I301-V305 VanDerWaalsContact O-CG2 3.28Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 3.16Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 2.86Å; V305-T308 PolarHBondContact O-N 2.95Å; V305-D309 PolarHBondContact O-N 3.22Å; V305-L332 HydrophobicContact CG2-CB 3.61Å; V305-L332 HydrophobicContact CG2-CD1 3.9Å; V305-L332 HydrophobicContact CG2-CG 4.24Å |
| 306 | A | 97.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A302 Q303 R310 | A302-A306 PolarHBondContact O-N 3.41Å; Q303-A306 PolarHBondContact O-N 2.79Å; A306-R310 PolarHBondContact O-N 2.86Å |
| 307 | A | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q303 E304 V305 D309 R310 E311 | Q303-A307 PolarHBondContact O-N 3.35Å; E304-A307 PolarHBondContact O-N 3.05Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 2.86Å; A307-D309 PolarHBondContact O-N 2.96Å; A307-R310 PolarHBondContact O-N 3.05Å; A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.16Å |
| 308 | T | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | E304 V305 R310 E311 L312 H325 K328 K329 L332 | E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 2.82Å; V305-T308 PolarHBondContact O-N 2.95Å; T308-R310 VanDerWaalsContact C-N 3.35Å; T308-R310 PolarHBondContact O-N 3.48Å; T308-E311 PolarHBondContact O-N 3.24Å; T308-L312 VanDerWaalsContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 PolarHBondContact O-N 2.77Å; T308-H325 WeakPolarHBondContact CG2-O 3.42Å; T308-K328 HydrophobicContact CG2-CB 3.61Å; T308-K328 HydrophobicContact CG2-CD 4.47Å; T308-K328 WeakPolarHBondContact OG1-CE 3.37Å; T308-K328 PolarHBondContact OG1-NZ 3.05Å; T308-K329 HydrophobicContact CG2-CB 3.96Å; T308-L332 WeakPolarHBondContact OG1-CD1 3.38Å |
| 309 | D | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 177.5 | -92.6 | -28.3 | 0 | 0 | 0 | 112.3 | V305 A307 E313 K329 | V305-D309 PolarHBondContact O-N 3.22Å; A307-D309 PolarHBondContact O-N 2.96Å; D309-E313 WeakPolarHBondContact O-CB 3.22Å; D309-E313 PolarHBondContact O-N 3.49Å; D309-K329 WeakPolarHBondContact OD1-CD 3.45Å; D309-K329 WeakPolarHBondContact OD1-CE 3.48Å; D309-K329 IonicContact OD1-NZ 2.84Å; D309-K329 PolarHBondContact OD1-NZ 3.07Å; D309-K329 IonicContact OD2-NZ 3.17Å; D309-K329 PolarHBondContact OD2-NZ 3.47Å |
| 310 | R | 97.6 | Very high | 95.8 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 173.3 | -177.2 | 178.1 | 63.4 | 84.4 | 1 | 111.6 | A306 A307 T308 L312 E313 E314 | A306-R310 PolarHBondContact O-N 2.86Å; A307-R310 PolarHBondContact O-N 3.05Å; T308-R310 VanDerWaalsContact C-N 3.35Å; T308-R310 PolarHBondContact O-N 3.48Å; R310-L312 VanDerWaalsContact C-N 3.35Å; R310-L312 PolarHBondContact O-N 3.05Å; R310-E313 PolarHBondContact O-N 3.36Å; R310-E314 HydrophobicContact CG-CG 4.48Å; R310-E314 VanDerWaalsContact CG-OE1 3.25Å; R310-E314 WeakPolarHBondContact CG-OE1 3.28Å; R310-E314 IonicContact CZ-OE1 3.94Å; R310-E314 IonicContact NH1-OE1 3.98Å; R310-E314 PolarHBondContact NH1-OE1 2.91Å; R310-E314 IonicContact NH1-OE2 2.85Å; R310-E314 WeakPolarHBondContact O-CB 3.43Å; R310-E314 WeakPolarHBondContact O-CG 3.44Å; R310-E314 PolarHBondContact O-N 3.21Å |
| 311 | E | 97.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 177.4 | -72.1 | 173.4 | 175.5 | 0 | 0 | 112.4 | A307 T308 A315 H325 K328 | A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.16Å; T308-E311 PolarHBondContact O-N 3.24Å; E311-A315 VanDerWaalsContact O-CB 3.24Å; E311-A315 WeakPolarHBondContact O-CB 3.3Å; E311-A315 PolarHBondContact O-N 3.32Å; E311-H325 IonicContact OE2-ND1 2.72Å; E311-K328 IonicContact OE1-NZ 3.76Å; E311-K328 IonicContact OE2-NZ 3.89Å; E311-K328 PolarHBondContact OE2-NZ 3.22Å |
| 312 | L | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.7 | 176.6 | 59.3 | 0 | 0 | 0 | 111.3 | Y149 T308 R310 A315 R316 L322 H325 K326 K329 | Y149-L312 HydrophobicContact CE1-CD1 4.41Å; T308-L312 VanDerWaalsContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 PolarHBondContact O-N 2.77Å; R310-L312 VanDerWaalsContact C-N 3.35Å; R310-L312 PolarHBondContact O-N 3.05Å; L312-A315 PolarHBondContact O-N 3.02Å; L312-R316 VanDerWaalsContact O-CB 3.23Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 PolarHBondContact O-N 2.89Å; L312-L322 HydrophobicContact CD1-CB 4.09Å; L312-L322 HydrophobicContact CD1-CD1 4.32Å; L312-L322 HydrophobicContact CD1-CD2 4.38Å; L312-H325 HydrophobicContact CB-CB 3.93Å; L312-H325 HydrophobicContact CD1-CB 3.72Å; L312-H325 HydrophobicContact CG-CB 4.39Å; L312-K326 HydrophobicContact CD1-CG 4.29Å; L312-K329 HydrophobicContact CD2-CD 4.48Å |
| 313 | E | 96 | Very high | 95.5 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 178.3 | 178.5 | 63.4 | -177.3 | 0 | 0 | 111.8 | D309 R310 A315 R316 L317 | D309-E313 WeakPolarHBondContact O-CB 3.22Å; D309-E313 PolarHBondContact O-N 3.49Å; R310-E313 PolarHBondContact O-N 3.36Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 2.88Å; E313-R316 PolarHBondContact O-N 3.5Å; E313-R316 IonicContact OE1-CZ 3.1Å; E313-R316 IonicContact OE1-NE 3.84Å; E313-R316 IonicContact OE1-NH2 2.79Å; E313-R316 PolarHBondContact OE1-NH2 3.42Å; E313-R316 IonicContact OE2-CZ 3.64Å; E313-R316 IonicContact OE2-NE 3.95Å; E313-R316 PolarHBondContact OE2-NE 3.37Å; E313-R316 IonicContact OE2-NH2 2.65Å; E313-R316 PolarHBondContact OE2-NH2 2.96Å; E313-L317 HydrophobicContact CG-CD1 4.21Å; E313-L317 WeakPolarHBondContact O-CG 3.48Å; E313-L317 PolarHBondContact O-N 2.87Å |
| 314 | E | 96.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.9 | -73.7 | 173.5 | -163 | 0 | 0 | 111.8 | R310 A318 | R310-E314 HydrophobicContact CG-CG 4.48Å; R310-E314 VanDerWaalsContact CG-OE1 3.25Å; R310-E314 WeakPolarHBondContact CG-OE1 3.28Å; R310-E314 IonicContact CZ-OE1 3.94Å; R310-E314 IonicContact NH1-OE1 3.98Å; R310-E314 PolarHBondContact NH1-OE1 2.91Å; R310-E314 IonicContact NH1-OE2 2.85Å; R310-E314 WeakPolarHBondContact O-CB 3.43Å; R310-E314 WeakPolarHBondContact O-CG 3.44Å; R310-E314 PolarHBondContact O-N 3.21Å; E314-A318 WeakPolarHBondContact O-CB 3.18Å; E314-A318 PolarHBondContact O-N 2.86Å |
| 315 | A | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E311 L312 E313 A318 G319 R320 L322 | E311-A315 VanDerWaalsContact O-CB 3.24Å; E311-A315 WeakPolarHBondContact O-CB 3.3Å; E311-A315 PolarHBondContact O-N 3.32Å; L312-A315 PolarHBondContact O-N 3.02Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 2.88Å; A315-A318 CarbonylContact O-C 2.96Å; A315-A318 PolarHBondContact O-N 3.46Å; A315-G319 PolarHBondContact O-N 3.03Å; A315-R320 VanDerWaalsContact CA-CZ 3.49Å; A315-R320 VanDerWaalsContact CA-NH2 3.34Å; A315-R320 HydrophobicContact CB-CB 4.24Å; A315-R320 WeakPolarHBondContact O-CB 3.49Å; A315-R320 PolarHBondContact O-N 3.07Å; A315-L322 HydrophobicContact CB-CD2 3.55Å |
| 316 | R | 96.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 177.7 | -178.2 | -173.3 | 71.8 | 80.9 | -8.6 | 111.6 | Y149 S160 F161 L312 E313 A318 G319 L322 | Y149-R316 HydrophobicContact CE1-CG 4.27Å; S160-R316 WeakPolarHBondContact O-CD 3.4Å; S160-R316 WeakPolarHBondContact O-CG 3.46Å; S160-R316 PolarHBondContact O-NH1 3.06Å; F161-R316 WeakPolarHBondContact CA-O 3.5Å; F161-R316 WeakPolarHBondContact CB-O 3.47Å; L312-R316 VanDerWaalsContact O-CB 3.23Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 PolarHBondContact O-N 2.89Å; E313-R316 PolarHBondContact O-N 3.5Å; E313-R316 IonicContact OE1-CZ 3.1Å; E313-R316 IonicContact OE1-NE 3.84Å; E313-R316 IonicContact OE1-NH2 2.79Å; E313-R316 PolarHBondContact OE1-NH2 3.42Å; E313-R316 IonicContact OE2-CZ 3.64Å; E313-R316 IonicContact OE2-NE 3.95Å; E313-R316 PolarHBondContact OE2-NE 3.37Å; E313-R316 IonicContact OE2-NH2 2.65Å; E313-R316 PolarHBondContact OE2-NH2 2.96Å; R316-A318 VanDerWaalsContact C-N 3.29Å; R316-A318 PolarHBondContact O-N 3.27Å; R316-G319 PolarHBondContact O-N 2.93Å; R316-L322 HydrophobicContact CB-CD1 4.08Å; R316-L322 HydrophobicContact CB-CD2 4.32Å; R316-L322 HydrophobicContact CG-CD1 4.27Å |
| 317 | L | 92.5 | Very high | 95.2 | Very high | 91 Ų | 91 | 37.4 Ų | 37.4 | 48% | 0.476 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.4 | -31.9 | 179.7 | -68.1 | 175.5 | 0 | 0 | 0 | 112.3 | E313 G319 | E313-L317 HydrophobicContact CG-CD1 4.21Å; E313-L317 WeakPolarHBondContact O-CG 3.48Å; E313-L317 PolarHBondContact O-N 2.87Å; L317-G319 PolarHBondContact O-N 3.29Å |
| 318 | A | 92 | Very high | 95.1 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E314 A315 R316 R320 | E314-A318 WeakPolarHBondContact O-CB 3.18Å; E314-A318 PolarHBondContact O-N 2.86Å; A315-A318 CarbonylContact O-C 2.96Å; A315-A318 PolarHBondContact O-N 3.46Å; R316-A318 VanDerWaalsContact C-N 3.29Å; R316-A318 PolarHBondContact O-N 3.27Å; A318-R320 HydrophobicContact CB-CG 3.82Å; A318-R320 PolarHBondContact O-N 3.21Å |
| 319 | G | 89.2 | Confident | 95.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 22.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A315 R316 L317 | A315-G319 PolarHBondContact O-N 3.03Å; R316-G319 PolarHBondContact O-N 2.93Å; L317-G319 PolarHBondContact O-N 3.29Å |
| 320 | R | 91.4 | Very high | 95.1 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | trans | -75.9 | 168.7 | -177.3 | -51.9 | -160.9 | -78.8 | -101.8 | 5.6 | 111.9 | F76 A315 A318 L322 | F76-R320 HydrophobicContact CD1-CB 4.34Å; F76-R320 HydrophobicContact CD1-CG 3.37Å; F76-R320 HydrophobicContact CE1-CB 3.84Å; F76-R320 HydrophobicContact CE1-CG 3.36Å; F76-R320 HydrophobicContact CG-CG 4.4Å; F76-R320 HydrophobicContact CZ-CG 4.34Å; A315-R320 VanDerWaalsContact CA-CZ 3.49Å; A315-R320 VanDerWaalsContact CA-NH2 3.34Å; A315-R320 HydrophobicContact CB-CB 4.24Å; A315-R320 WeakPolarHBondContact O-CB 3.49Å; A315-R320 PolarHBondContact O-N 3.07Å; A318-R320 HydrophobicContact CB-CG 3.82Å; A318-R320 PolarHBondContact O-N 3.21Å; R320-L322 WeakPolarHBondContact O-CD2 3.12Å; R320-L322 WeakPolarHBondContact O-CG 3.43Å | ||
| 321 | E | 92.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | trans | -63.1 | 136.6 | 162.3 | -155.3 | -61 | 129.7 | 0 | 0 | 108.8 | S156 C157 F158 R323 | S156-E321 WeakPolarHBondContact CA-OE1 3.34Å; C157-E321 PolarHBondContact N-OE1 3.04Å; F158-E321 HydrophobicContact CE1-CB 4.22Å; F158-E321 HydrophobicContact CE1-CG 4.3Å; F158-E321 HydrophobicContact CZ-CG 4.29Å; E321-R323 VanDerWaalsContact CD-N 3.28Å; E321-R323 WeakPolarHBondContact OE1-CB 3.31Å; E321-R323 PolarHBondContact OE1-N 3.16Å; E321-R323 WeakPolarHBondContact OE2-CB 3.28Å; E321-R323 PolarHBondContact OE2-N 3.34Å | ||
| 322 | L | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -118.7 | -3.2 | -170.2 | -52.3 | -176.6 | 0 | 0 | 0 | 114.4 | Y149 C157 L312 A315 R316 R320 F324 H325 K326 | Y149-L322 HydrophobicContact CD1-CD1 3.75Å; Y149-L322 HydrophobicContact CE1-CD1 3.73Å; C157-L322 HydrophobicContact CB-CB 4.26Å; C157-L322 PolarHBondContact O-N 3.22Å; L312-L322 HydrophobicContact CD1-CB 4.09Å; L312-L322 HydrophobicContact CD1-CD1 4.32Å; L312-L322 HydrophobicContact CD1-CD2 4.38Å; A315-L322 HydrophobicContact CB-CD2 3.55Å; R316-L322 HydrophobicContact CB-CD1 4.08Å; R316-L322 HydrophobicContact CB-CD2 4.32Å; R316-L322 HydrophobicContact CG-CD1 4.27Å; R320-L322 WeakPolarHBondContact O-CD2 3.12Å; R320-L322 WeakPolarHBondContact O-CG 3.43Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 3.35Å; L322-H325 PolarHBondContact O-N 3.23Å; L322-H325 VanDerWaalsContact O-N 3.16Å; L322-K326 PolarHBondContact O-N 2.97Å | ||
| 323 | R | 94.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | -175.4 | -177 | -171.2 | -171.9 | 165.9 | 1.2 | 111.1 | G154 G155 C157 E242 T245 E321 H325 K326 E327 | G154-R323 PolarHBondContact O-NH1 3.32Å; G155-R323 WeakPolarHBondContact O-CD 3.43Å; G155-R323 WeakPolarHBondContact O-CG 3.33Å; C157-R323 HydrophobicContact CB-CB 4.29Å; E242-R323 IonicContact OE1-CZ 3.68Å; E242-R323 IonicContact OE1-NH1 3.89Å; E242-R323 PolarHBondContact OE1-NH1 2.99Å; E242-R323 IonicContact OE1-NH2 2.94Å; E242-R323 PolarHBondContact OE1-NH2 2.8Å; T245-R323 HydrophobicContact CG2-CG 4.15Å; E321-R323 VanDerWaalsContact CD-N 3.28Å; E321-R323 WeakPolarHBondContact OE1-CB 3.31Å; E321-R323 PolarHBondContact OE1-N 3.16Å; E321-R323 WeakPolarHBondContact OE2-CB 3.28Å; E321-R323 PolarHBondContact OE2-N 3.34Å; R323-H325 VanDerWaalsContact C-N 3.33Å; R323-H325 PolarHBondContact O-N 3.48Å; R323-K326 PolarHBondContact O-N 2.94Å; R323-E327 HydrophobicContact CG-CG 3.98Å; R323-E327 WeakPolarHBondContact O-CB 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.31Å; R323-E327 PolarHBondContact O-N 3.35Å |
| 324 | F | 95.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 34 Ų | 34 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 177.5 | 172.9 | -112.4 | 0 | 0 | 0 | 112.5 | T245 Q248 L249 W252 L322 K328 | T245-F324 HydrophobicContact CG2-CB 4.37Å; Q248-F324 HydrophobicContact CB-CD2 3.65Å; Q248-F324 HydrophobicContact CB-CE2 3.53Å; Q248-F324 HydrophobicContact CB-CG 4.45Å; Q248-F324 HydrophobicContact CB-CZ 4.24Å; L249-F324 HydrophobicContact CD2-CD2 3.89Å; L249-F324 HydrophobicContact CD2-CE2 3.78Å; L249-F324 HydrophobicContact CG-CD2 3.98Å; L249-F324 HydrophobicContact CG-CE2 4.05Å; W252-F324 HydrophobicContact CB-CZ 4.34Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 3.35Å; F324-K328 HydrophobicContact CD1-CD 4.37Å; F324-K328 HydrophobicContact CD2-CG 4.48Å; F324-K328 HydrophobicContact CE1-CD 3.66Å; F324-K328 HydrophobicContact CE1-CG 4.37Å; F324-K328 HydrophobicContact CE2-CD 4.08Å; F324-K328 HydrophobicContact CE2-CG 4.01Å; F324-K328 HydrophobicContact CZ-CD 3.5Å; F324-K328 VanDerWaalsContact CZ-CD 3.5Å; F324-K328 HydrophobicContact CZ-CG 3.96Å; F324-K328 WeakPolarHBondContact O-CB 3.5Å; F324-K328 WeakPolarHBondContact O-CG 3.4Å; F324-K328 PolarHBondContact O-N 3.29Å |
| 325 | H | 96.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.3 | -35.6 | -179.2 | -60.5 | -70.9 | 0 | 0 | 0 | 112.8 | T308 E311 L312 L322 R323 K329 | T308-H325 WeakPolarHBondContact CG2-O 3.42Å; E311-H325 IonicContact OE2-ND1 2.72Å; L312-H325 HydrophobicContact CB-CB 3.93Å; L312-H325 HydrophobicContact CD1-CB 3.72Å; L312-H325 HydrophobicContact CG-CB 4.39Å; L322-H325 PolarHBondContact O-N 3.23Å; L322-H325 VanDerWaalsContact O-N 3.16Å; R323-H325 VanDerWaalsContact C-N 3.33Å; R323-H325 PolarHBondContact O-N 3.48Å; H325-K329 PolarHBondContact O-N 3.29Å; H325-K329 VanDerWaalsContact O-N 3.14Å |
| 326 | K | 95.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 32 Ų | 32 | 10% | 0.1 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -49.1 | 172.7 | -87.3 | -79.5 | -74.2 | 172.4 | 0 | 111.6 | E137 L312 L322 R323 K328 K329 D330 | E137-K326 IonicContact OE1-NZ 2.82Å; E137-K326 PolarHBondContact OE1-NZ 3.32Å; E137-K326 WeakPolarHBondContact OE2-CE 3.41Å; E137-K326 IonicContact OE2-NZ 2.61Å; E137-K326 PolarHBondContact OE2-NZ 3.45Å; L312-K326 HydrophobicContact CD1-CG 4.29Å; L322-K326 PolarHBondContact O-N 2.97Å; R323-K326 PolarHBondContact O-N 2.94Å; K326-K328 PolarHBondContact O-N 3.01Å; K326-K329 WeakPolarHBondContact O-CA 3.43Å; K326-K329 WeakPolarHBondContact O-CB 3.28Å; K326-K329 PolarHBondContact O-N 3.22Å; K326-D330 PolarHBondContact O-N 2.92Å |
| 327 | E | 96.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 178.5 | -65.2 | -82 | -165.5 | 0 | 0 | 111.6 | L249 L278 R283 R323 K329 D330 I331 | L249-E327 HydrophobicContact CD1-CB 3.84Å; L249-E327 HydrophobicContact CD2-CB 4.37Å; L278-E327 HydrophobicContact CD2-CB 3.97Å; L278-E327 HydrophobicContact CD2-CG 3.62Å; L278-E327 WeakPolarHBondContact CD2-OE1 3.4Å; L278-E327 WeakPolarHBondContact CD2-OE2 3.26Å; R283-E327 IonicContact CZ-OE1 3.36Å; R283-E327 IonicContact CZ-OE2 3.95Å; R283-E327 IonicContact NE-OE1 2.77Å; R283-E327 IonicContact NE-OE2 3.48Å; R283-E327 PolarHBondContact NE-OE2 3.18Å; R283-E327 IonicContact NH2-OE1 3.38Å; R283-E327 PolarHBondContact NH2-OE1 2.98Å; R283-E327 IonicContact NH2-OE2 2.72Å; R283-E327 PolarHBondContact NH2-OE2 3.22Å; R283-E327 VanDerWaalsContact NH2-OE2 3.1Å; R323-E327 HydrophobicContact CG-CG 3.98Å; R323-E327 WeakPolarHBondContact O-CB 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.31Å; R323-E327 PolarHBondContact O-N 3.35Å; E327-K329 VanDerWaalsContact C-N 3.32Å; E327-K329 PolarHBondContact O-N 3.25Å; E327-D330 PolarHBondContact O-N 3.15Å; E327-I331 WeakPolarHBondContact O-CB 3.35Å; E327-I331 WeakPolarHBondContact O-CD1 3.4Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.19Å |
| 328 | K | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.8 | -51.9 | 168.1 | -84.7 | -171.5 | 53.2 | 168.9 | 0 | 110.9 | L249 W252 E304 T308 E311 F324 K326 L332 | L249-K328 HydrophobicContact CD2-CG 3.84Å; W252-K328 HydrophobicContact CD2-CD 4.04Å; W252-K328 HydrophobicContact CD2-CG 3.8Å; W252-K328 VanDerWaalsContact CE2-CE 3.45Å; W252-K328 HydrophobicContact CE3-CG 3.92Å; W252-K328 HydrophobicContact CG-CD 4.19Å; W252-K328 HydrophobicContact CG-CG 4.39Å; W252-K328 HydrophobicContact CH2-CB 4.12Å; W252-K328 HydrophobicContact CH2-CG 4.04Å; W252-K328 HydrophobicContact CZ2-CB 4.18Å; W252-K328 HydrophobicContact CZ2-CD 4.33Å; W252-K328 HydrophobicContact CZ2-CG 3.94Å; W252-K328 HydrophobicContact CZ3-CB 4.45Å; W252-K328 HydrophobicContact CZ3-CG 4.04Å; W252-K328 VanDerWaalsContact NE1-CE 3.29Å; E304-K328 WeakPolarHBondContact OE1-CE 3.24Å; E304-K328 IonicContact OE1-NZ 3.01Å; E304-K328 PolarHBondContact OE1-NZ 2.99Å; T308-K328 HydrophobicContact CG2-CB 3.61Å; T308-K328 HydrophobicContact CG2-CD 4.47Å; T308-K328 WeakPolarHBondContact OG1-CE 3.37Å; T308-K328 PolarHBondContact OG1-NZ 3.05Å; E311-K328 IonicContact OE1-NZ 3.76Å; E311-K328 IonicContact OE2-NZ 3.89Å; E311-K328 PolarHBondContact OE2-NZ 3.22Å; F324-K328 HydrophobicContact CD1-CD 4.37Å; F324-K328 HydrophobicContact CD2-CG 4.48Å; F324-K328 HydrophobicContact CE1-CD 3.66Å; F324-K328 HydrophobicContact CE1-CG 4.37Å; F324-K328 HydrophobicContact CE2-CD 4.08Å; F324-K328 HydrophobicContact CE2-CG 4.01Å; F324-K328 HydrophobicContact CZ-CD 3.5Å; F324-K328 VanDerWaalsContact CZ-CD 3.5Å; F324-K328 HydrophobicContact CZ-CG 3.96Å; F324-K328 WeakPolarHBondContact O-CB 3.5Å; F324-K328 WeakPolarHBondContact O-CG 3.4Å; F324-K328 PolarHBondContact O-N 3.29Å; K326-K328 PolarHBondContact O-N 3.01Å; K328-L332 WeakPolarHBondContact O-CD1 3.14Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 2.57Å |
| 329 | K | 96.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | -178.2 | -179.8 | 166.4 | -177.1 | 153 | 0 | 111.7 | T308 D309 L312 H325 K326 E327 I331 L332 M333 | T308-K329 HydrophobicContact CG2-CB 3.96Å; D309-K329 WeakPolarHBondContact OD1-CD 3.45Å; D309-K329 WeakPolarHBondContact OD1-CE 3.48Å; D309-K329 IonicContact OD1-NZ 2.84Å; D309-K329 PolarHBondContact OD1-NZ 3.07Å; D309-K329 IonicContact OD2-NZ 3.17Å; D309-K329 PolarHBondContact OD2-NZ 3.47Å; L312-K329 HydrophobicContact CD2-CD 4.48Å; H325-K329 PolarHBondContact O-N 3.29Å; H325-K329 VanDerWaalsContact O-N 3.14Å; K326-K329 WeakPolarHBondContact O-CA 3.43Å; K326-K329 WeakPolarHBondContact O-CB 3.28Å; K326-K329 PolarHBondContact O-N 3.22Å; E327-K329 VanDerWaalsContact C-N 3.32Å; E327-K329 PolarHBondContact O-N 3.25Å; K329-I331 VanDerWaalsContact C-N 3.33Å; K329-I331 PolarHBondContact O-N 3.12Å; K329-L332 PolarHBondContact O-N 2.61Å; K329-M333 HydrophobicContact CG-CG 4.29Å; K329-M333 WeakPolarHBondContact O-CG 3.47Å; K329-M333 PolarHBondContact O-N 3.3Å |
| 330 | D | 96.2 | Very high | 95.1 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.5 | -37.3 | -176.9 | -62.6 | -23.6 | 0 | 0 | 0 | 111 | K326 E327 M333 L334 | K326-D330 PolarHBondContact O-N 2.92Å; E327-D330 PolarHBondContact O-N 3.15Å; D330-M333 PolarHBondContact O-N 3.45Å; D330-L334 WeakPolarHBondContact O-CB 3.46Å; D330-L334 PolarHBondContact O-N 2.81Å |
| 331 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 171.9 | -70.2 | 164.1 | 0 | 0 | 0 | 112.1 | L249 W252 R283 M286 A287 E327 K329 L334 A335 | L249-I331 HydrophobicContact CD1-CD1 4.28Å; L249-I331 HydrophobicContact CD2-CD1 4.17Å; W252-I331 HydrophobicContact CH2-CG2 4.27Å; W252-I331 HydrophobicContact CZ3-CB 4.49Å; W252-I331 HydrophobicContact CZ3-CD1 4.39Å; W252-I331 HydrophobicContact CZ3-CG2 4.2Å; R283-I331 HydrophobicContact CB-CG1 4.16Å; R283-I331 HydrophobicContact CG-CD1 4.49Å; R283-I331 HydrophobicContact CG-CG1 4.09Å; M286-I331 HydrophobicContact CB-CD1 4.23Å; M286-I331 HydrophobicContact CB-CG2 3.75Å; M286-I331 HydrophobicContact SD-CD1 3.66Å; A287-I331 HydrophobicContact CB-CG2 4.34Å; E327-I331 WeakPolarHBondContact O-CB 3.35Å; E327-I331 WeakPolarHBondContact O-CD1 3.4Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.19Å; K329-I331 VanDerWaalsContact C-N 3.33Å; K329-I331 PolarHBondContact O-N 3.12Å; I331-L334 WeakPolarHBondContact O-CB 3.32Å; I331-L334 PolarHBondContact O-N 3.29Å; I331-A335 PolarHBondContact O-N 3.48Å |
| 332 | L | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.3 | -68.2 | 162.3 | 0 | 0 | 0 | 111.7 | W252 W290 I301 E304 V305 T308 K328 K329 L334 A335 V336 | W252-L332 HydrophobicContact CH2-CD1 4.34Å; W252-L332 HydrophobicContact CH2-CD2 4.18Å; W252-L332 HydrophobicContact CH2-CG 3.94Å; W252-L332 HydrophobicContact CZ2-CD1 4Å; W252-L332 HydrophobicContact CZ2-CD2 4.04Å; W252-L332 HydrophobicContact CZ2-CG 3.99Å; W290-L332 HydrophobicContact CD2-CD2 3.91Å; W290-L332 HydrophobicContact CE3-CD2 4.33Å; W290-L332 HydrophobicContact CG-CD2 4.06Å; I301-L332 HydrophobicContact CG2-CD2 4.3Å; E304-L332 HydrophobicContact CB-CD1 4.33Å; E304-L332 HydrophobicContact CB-CD2 4.09Å; E304-L332 HydrophobicContact CG-CD1 3.84Å; E304-L332 HydrophobicContact CG-CD2 3.9Å; E304-L332 HydrophobicContact CG-CG 4.49Å; V305-L332 HydrophobicContact CG2-CB 3.61Å; V305-L332 HydrophobicContact CG2-CD1 3.9Å; V305-L332 HydrophobicContact CG2-CG 4.24Å; T308-L332 WeakPolarHBondContact OG1-CD1 3.38Å; K328-L332 WeakPolarHBondContact O-CD1 3.14Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 2.57Å; K329-L332 PolarHBondContact O-N 2.61Å; L332-L334 VanDerWaalsContact C-N 3.3Å; L332-L334 PolarHBondContact O-N 3.33Å; L332-A335 WeakPolarHBondContact O-CB 3.36Å; L332-A335 PolarHBondContact O-N 3.04Å; L332-A335 VanDerWaalsContact O-N 3.13Å; L332-V336 WeakPolarHBondContact O-CG2 3.27Å; L332-V336 PolarHBondContact O-N 3.1Å |
| 333 | M | 96.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 40.8 Ų | 40.8 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.1 | -34.7 | 175.8 | -68.1 | -52.7 | -52 | 0 | 0 | 111.9 | K329 D330 V336 G337 | K329-M333 HydrophobicContact CG-CG 4.29Å; K329-M333 WeakPolarHBondContact O-CG 3.47Å; K329-M333 PolarHBondContact O-N 3.3Å; D330-M333 PolarHBondContact O-N 3.45Å; M333-V336 PolarHBondContact O-N 3.38Å; M333-G337 PolarHBondContact O-N 3.19Å |
| 334 | L | 97.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 170.5 | -177.1 | 62.2 | 0 | 0 | 0 | 111.6 | R283 A287 D330 I331 L332 G337 Q338 | R283-L334 HydrophobicContact CB-CD2 4.25Å; A287-L334 HydrophobicContact CB-CB 4.06Å; A287-L334 HydrophobicContact CB-CD2 3.88Å; A287-L334 HydrophobicContact CB-CG 3.84Å; D330-L334 WeakPolarHBondContact O-CB 3.46Å; D330-L334 PolarHBondContact O-N 2.81Å; I331-L334 WeakPolarHBondContact O-CB 3.32Å; I331-L334 PolarHBondContact O-N 3.29Å; L332-L334 VanDerWaalsContact C-N 3.3Å; L332-L334 PolarHBondContact O-N 3.33Å; L334-G337 PolarHBondContact O-N 3.14Å; L334-Q338 WeakPolarHBondContact O-CG 3.48Å; L334-Q338 PolarHBondContact O-N 3.13Å |
| 335 | A | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A287 W290 V291 I301 I331 L332 Q338 L339 | A287-A335 HydrophobicContact CB-CB 4.01Å; A287-A335 WeakPolarHBondContact O-CB 3.49Å; W290-A335 HydrophobicContact CB-CB 3.98Å; V291-A335 HydrophobicContact CG2-CB 3.96Å; I301-A335 HydrophobicContact CD1-CB 3.93Å; I331-A335 PolarHBondContact O-N 3.48Å; L332-A335 WeakPolarHBondContact O-CB 3.36Å; L332-A335 PolarHBondContact O-N 3.04Å; L332-A335 VanDerWaalsContact O-N 3.13Å; A335-Q338 PolarHBondContact O-N 2.83Å; A335-L339 PolarHBondContact O-N 2.74Å; A335-L339 VanDerWaalsContact O-N 3.13Å |
| 336 | V | 95.8 | Very high | 90 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 171.6 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | I301 L332 M333 Q338 L339 D340 | I301-V336 HydrophobicContact CG2-CG2 3.64Å; L332-V336 WeakPolarHBondContact O-CG2 3.27Å; L332-V336 PolarHBondContact O-N 3.1Å; M333-V336 PolarHBondContact O-N 3.38Å; V336-Q338 VanDerWaalsContact C-N 3.3Å; V336-Q338 PolarHBondContact O-N 3.33Å; V336-L339 WeakPolarHBondContact O-CB 3.35Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.07Å; V336-D340 PolarHBondContact O-N 2.97Å |
| 337 | G | 94.6 | Very high | 87.7 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M333 L334 A341 | M333-G337 PolarHBondContact O-N 3.19Å; L334-G337 PolarHBondContact O-N 3.14Å; G337-A341 WeakPolarHBondContact O-CB 3.34Å; G337-A341 PolarHBondContact O-N 3.38Å; G337-A341 VanDerWaalsContact O-N 3.07Å |
| 338 | Q | 93.4 | Very high | 85.5 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 173.4 | -72 | 177.3 | 22.9 | 0 | 0 | 112.4 | V291 L334 A335 V336 A342 | V291-Q338 HydrophobicContact CG2-CB 3.97Å; L334-Q338 WeakPolarHBondContact O-CG 3.48Å; L334-Q338 PolarHBondContact O-N 3.13Å; A335-Q338 PolarHBondContact O-N 2.83Å; V336-Q338 VanDerWaalsContact C-N 3.3Å; V336-Q338 PolarHBondContact O-N 3.33Å; Q338-A342 WeakPolarHBondContact O-CB 3.38Å; Q338-A342 PolarHBondContact O-N 2.75Å |
| 339 | L | 90.6 | Very high | 83.3 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 175 | -74 | 164.8 | 0 | 0 | 0 | 112.1 | V291 E294 I301 A335 V336 A341 A342 N343 | V291-L339 HydrophobicContact CG1-CD2 3.91Å; V291-L339 HydrophobicContact CG1-CG 4.32Å; V291-L339 HydrophobicContact CG2-CG 4.22Å; E294-L339 HydrophobicContact CB-CD1 4.2Å; E294-L339 HydrophobicContact CG-CD1 3.83Å; I301-L339 HydrophobicContact CD1-CD1 3.65Å; A335-L339 PolarHBondContact O-N 2.74Å; A335-L339 VanDerWaalsContact O-N 3.13Å; V336-L339 WeakPolarHBondContact O-CB 3.35Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.07Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 2.93Å; L339-A342 PolarHBondContact O-N 2.85Å; L339-A342 VanDerWaalsContact O-N 3.15Å; L339-N343 WeakPolarHBondContact O-CB 3.17Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.31Å |
| 340 | D | 89.4 | Confident | 80.8 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.4 | -69.8 | -24.8 | 0 | 0 | 0 | 111.7 | V336 T344 | V336-D340 PolarHBondContact O-N 2.97Å; D340-T344 WeakPolarHBondContact O-CB 3.47Å; D340-T344 WeakPolarHBondContact O-CG2 3.47Å; D340-T344 PolarHBondContact O-N 2.92Å; D340-T344 PolarHBondContact O-OG1 3.48Å |
| 341 | A | 87.2 | Confident | 78.1 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G337 L339 T344 A345 | G337-A341 WeakPolarHBondContact O-CB 3.34Å; G337-A341 PolarHBondContact O-N 3.38Å; G337-A341 VanDerWaalsContact O-N 3.07Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 2.93Å; A341-T344 WeakPolarHBondContact CA-OG1 3.27Å; A341-T344 PolarHBondContact O-OG1 3.18Å; A341-T344 VanDerWaalsContact O-OG1 3.09Å; A341-A345 VanDerWaalsContact O-CB 3.31Å; A341-A345 WeakPolarHBondContact O-CB 3.4Å; A341-A345 PolarHBondContact O-N 2.61Å |
| 342 | A | 82.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q338 L339 A345 T346 | Q338-A342 WeakPolarHBondContact O-CB 3.38Å; Q338-A342 PolarHBondContact O-N 2.75Å; L339-A342 PolarHBondContact O-N 2.85Å; L339-A342 VanDerWaalsContact O-N 3.15Å; A342-A345 PolarHBondContact O-N 2.76Å; A342-T346 PolarHBondContact O-N 2.8Å; A342-T346 PolarHBondContact O-OG1 3.36Å |
| 343 | N | 79.4 | Confident | 76 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 177.7 | -69.7 | -27.9 | 0 | 0 | 0 | 112.2 | L339 T346 | L339-N343 WeakPolarHBondContact O-CB 3.17Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.31Å; N343-T346 WeakPolarHBondContact CA-OG1 3.23Å; N343-T346 PolarHBondContact O-OG1 2.92Å |
| 344 | T | 76.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 83.8 Ų | 83.8 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.9 | -35.1 | 175.6 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | D340 A341 T346 | D340-T344 WeakPolarHBondContact O-CB 3.47Å; D340-T344 WeakPolarHBondContact O-CG2 3.47Å; D340-T344 PolarHBondContact O-N 2.92Å; D340-T344 PolarHBondContact O-OG1 3.48Å; A341-T344 WeakPolarHBondContact CA-OG1 3.27Å; A341-T344 PolarHBondContact O-OG1 3.18Å; A341-T344 VanDerWaalsContact O-OG1 3.09Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.72Å |
| 345 | A | 70.5 | Confident | 73.5 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.1 | -19.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A341 A342 | A341-A345 VanDerWaalsContact O-CB 3.31Å; A341-A345 WeakPolarHBondContact O-CB 3.4Å; A341-A345 PolarHBondContact O-N 2.61Å; A342-A345 PolarHBondContact O-N 2.76Å |
| 346 | T | 61.7 | Low | 72.1 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 67% | 0.669 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -6.6 | -179.9 | 39.4 | 0 | 0 | 0 | 0 | 114.3 | A342 N343 T344 P348 | A342-T346 PolarHBondContact O-N 2.8Å; A342-T346 PolarHBondContact O-OG1 3.36Å; N343-T346 WeakPolarHBondContact CA-OG1 3.23Å; N343-T346 PolarHBondContact O-OG1 2.92Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.72Å; T346-P348 WeakPolarHBondContact O-CD 3.2Å |
| 347 | L | 48.3 | Very low | 70.5 | Confident | 129 Ų | 129 | 93.1 Ų | 93.1 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -80.5 | 115.9 | 169.8 | -73.3 | 168.7 | 0 | 0 | 0 | 109.8 | S349 | L347-S349 PolarHBondContact O-N 3.33Š|
| 348 | P | 49.1 | Very low | 68.8 | Low | 105 Ų | 105 | 97.1 Ų | 97.1 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | trans | -64.1 | 132.6 | 175.6 | 27.1 | -33.1 | 0 | 0 | 0 | 109.5 | T346 T350 | T346-P348 WeakPolarHBondContact O-CD 3.2Å; P348-T350 VanDerWaalsContact C-N 3.34Å; P348-T350 PolarHBondContact O-N 2.67Å | ||
| 349 | S | 51 | Low | 66.9 | Low | 117 Ų | 117 | 100.2 Ų | 100.2 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -64.8 | 94.9 | 170.4 | -64 | 0 | 0 | 0 | 0 | 109.2 | L347 C351 | L347-S349 PolarHBondContact O-N 3.33Å; S349-C351 PolarHBondContact O-N 2.63Å | ||
| 350 | T | 45.2 | Very low | 64.9 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 83% | 0.828 | 68% | 0.682 | S | S | * | * | trans | -76.4 | 88.4 | 172.5 | 42.1 | 0 | 0 | 0 | 0 | 109.6 | P348 | P348-T350 VanDerWaalsContact C-N 3.34Å; P348-T350 PolarHBondContact O-N 2.67Å | ||
| 351 | C | 38.6 | Very low | 62.7 | Low | 194 Ų | 194 | 106.7 Ų | 106.7 | 100% | 1.311 | 70% | 0.699 | S | S | * | * | trans | -81.3 | 0 | 159.4 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | S349 | S349-C351 PolarHBondContact O-N 2.63Š|
Retrieved 351 of 351 residues in 1355.6 ms
(Link to these results)