| 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 | 43.5 | Very low | 49 | Very low | 225 Ų | 225 | 132.4 Ų | 132.4 | 100% | 1.108 | 70% | 0.697 | S | S | * | * | 0 | -39.9 | 0 | -71.2 | -68.3 | -143.4 | 0 | 0 | 114.4 | A3 | M1-A3 PolarHBondContact O-N 3.1Š| |||
| 2 | A | 48.8 | Very low | 48.8 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.4 | -22.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 3 | A | 48.8 | Very low | 48.8 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.9 | -32.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 V5 | M1-A3 PolarHBondContact O-N 3.1Å; A3-V5 PolarHBondContact O-N 2.93Å |
| 4 | A | 49.5 | Very low | 48.2 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 54% | 0.537 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -70.1 | -30.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R6 C7 | A4-R6 PolarHBondContact O-N 3.08Å; A4-C7 PolarHBondContact O-N 3.42Å |
| 5 | V | 52.3 | Low | 47.5 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.5 | -28.9 | -177.6 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | A3 R9 | A3-V5 PolarHBondContact O-N 2.93Å; V5-R9 PolarHBondContact O-N 2.86Å |
| 6 | R | 50.7 | Low | 46.9 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.4 | -31.8 | 177.8 | -73.9 | -174.4 | -171.4 | 157.8 | 3.1 | 113 | A4 | A4-R6 PolarHBondContact O-N 3.08Å |
| 7 | C | 50.8 | Low | 46.4 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.7 | -40.6 | 177.1 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | A4 R9 R10 V11 | A4-C7 PolarHBondContact O-N 3.42Å; C7-R9 PolarHBondContact O-N 2.97Å; C7-R10 PolarHBondContact O-N 3.36Å; C7-V11 WeakPolarHBondContact O-CG2 3.48Å; C7-V11 PolarHBondContact O-N 3.39Å |
| 8 | L | 48.3 | Very low | 45.7 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.8 | -34.5 | 179.2 | -73.2 | 166.1 | 0 | 0 | 0 | 112.8 | R10 V11 L12 | L8-R10 VanDerWaalsContact C-N 3.35Å; L8-R10 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 2.78Å; L8-L12 PolarHBondContact O-N 3.44Å |
| 9 | R | 45.1 | Very low | 44.9 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 73% | 0.725 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -69.2 | -30.7 | 177.7 | -155.4 | 178.2 | -174.2 | -160 | 1.8 | 113 | V5 C7 I13 | V5-R9 PolarHBondContact O-N 2.86Å; C7-R9 PolarHBondContact O-N 2.97Å; R9-I13 WeakPolarHBondContact O-CD1 3.48Å; R9-I13 WeakPolarHBondContact O-CG1 3.35Å; R9-I13 PolarHBondContact O-N 3.47Å |
| 10 | R | 48.9 | Very low | 44.1 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.8 | -34.3 | 175.6 | -78 | -172.2 | 176.7 | -173.2 | -0.4 | 112.6 | C7 L8 | C7-R10 PolarHBondContact O-N 3.36Å; L8-R10 VanDerWaalsContact C-N 3.35Å; L8-R10 PolarHBondContact O-N 3.47Å |
| 11 | V | 52.1 | Low | 43.5 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 53% | 0.533 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -71.2 | -38.6 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | C7 L8 H14 H15 | C7-V11 WeakPolarHBondContact O-CG2 3.48Å; C7-V11 PolarHBondContact O-N 3.39Å; L8-V11 PolarHBondContact O-N 2.78Å; V11-H14 PolarHBondContact O-N 3.31Å; V11-H15 PolarHBondContact O-N 3.47Å |
| 12 | L | 47.5 | Very low | 42.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 59% | 0.592 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.3 | -31.2 | -178.4 | -70.1 | 170 | 0 | 0 | 0 | 113.9 | L8 H14 H15 Q16 | L8-L12 PolarHBondContact O-N 3.44Å; L12-H14 VanDerWaalsContact C-N 3.28Å; L12-H14 PolarHBondContact O-N 3.38Å; L12-H15 PolarHBondContact O-N 3.33Å; L12-Q16 PolarHBondContact O-N 3.45Å |
| 13 | I | 48.8 | Very low | 42 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 54% | 0.544 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -69 | -30.9 | 175.6 | -63.9 | 168.1 | 0 | 0 | 0 | 110.8 | R9 | R9-I13 WeakPolarHBondContact O-CD1 3.48Å; R9-I13 WeakPolarHBondContact O-CG1 3.35Å; R9-I13 PolarHBondContact O-N 3.47Å |
| 14 | H | 39.9 | Very low | 41 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.9 | -31.9 | 176.5 | -113.4 | -39.2 | 0 | 0 | 0 | 113 | V11 L12 | V11-H14 PolarHBondContact O-N 3.31Å; L12-H14 VanDerWaalsContact C-N 3.28Å; L12-H14 PolarHBondContact O-N 3.38Å |
| 15 | H | 37.5 | Very low | 40.1 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -78.2 | -26.2 | 178.9 | -105.9 | -48.6 | 0 | 0 | 0 | 114.4 | V11 L12 R17 H18 | V11-H15 PolarHBondContact O-N 3.47Å; L12-H15 PolarHBondContact O-N 3.33Å; H15-R17 PolarHBondContact O-N 3.42Å; H15-H18 PolarHBondContact O-N 3.22Å |
| 16 | Q | 38.8 | Very low | 39.3 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -3.2 | -178.1 | -83 | -169.7 | -24.8 | 0 | 0 | 115.4 | L12 | L12-Q16 PolarHBondContact O-N 3.45Š|
| 17 | R | 37.9 | Very low | 38.3 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -0.1 | 175.6 | -69.3 | -170.6 | 177 | -170.7 | -1.3 | 115 | H15 | H15-R17 PolarHBondContact O-N 3.42Š|
| 18 | H | 34.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -108.4 | 16.3 | 177.7 | -71.4 | -64.7 | 0 | 0 | 0 | 114.6 | H15 | H15-H18 PolarHBondContact O-N 3.22Š|
| 19 | C | 28.9 | Very low | 36.7 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -124.5 | 102.4 | 167.9 | -98.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | L | 29.9 | Very low | 36.1 | Very low | 172 Ų | 172 | 151 Ų | 151 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | 164.7 | 96.7 | 141.1 | -86.2 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 21 | C | 30.7 | Very low | 35.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -170.2 | 86.3 | 143.4 | -99.8 | 0 | 0 | 0 | 0 | 107.9 | M23 | C21-M23 PolarHBondContact O-N 3.5Š| ||
| 22 | K | 26.6 | Very low | 34.7 | Very low | 211 Ų | 211 | 149.2 Ų | 149.2 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 118.1 | 158.7 | -75.6 | 173 | 172.7 | 177.1 | 0 | 107.2 | ||||
| 23 | M | 34 | Very low | 34.4 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -139 | 118.1 | 153.4 | -88.5 | -69.2 | 174.3 | 0 | 0 | 107.5 | C21 | C21-M23 PolarHBondContact O-N 3.5Š| ||
| 24 | A | 29.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 150.3 Ų | 150.3 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -75.9 | 148 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 30.5 | Very low | 34 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | 44.2 | 109.7 | 149.5 | 62.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 26 | Q | 35 | Very low | 34 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | -167.9 | 140 | 102.6 | -100.6 | 177.2 | 5.4 | 0 | 0 | 110.4 | |||||
| 27 | A | 29.2 | Very low | 34 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -77 | 136.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | S | 35.9 | Very low | 34 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -152.9 | 123 | 148.2 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | Y30 | S28-Y30 PolarHBondContact O-N 3.49Š| ||
| 29 | L | 30.1 | Very low | 34 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -74.4 | 111.3 | 179.5 | -67.6 | 158.9 | 0 | 0 | 0 | 108.5 | ||||
| 30 | Y | 32.6 | Very low | 34.4 | Very low | 229 Ų | 229 | 144.8 Ų | 144.8 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 170.5 | 100.2 | 148 | -84.9 | -63.4 | 0 | 0 | 0 | 108.6 | S28 | S28-Y30 PolarHBondContact O-N 3.49Š| ||
| 31 | P | 35.1 | Very low | 35 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -119.4 | 100.9 | 173.7 | 34.4 | -18.6 | 0 | 0 | 0 | 111 | ||||
| 32 | C | 36.2 | Very low | 35.5 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -148.3 | 54.1 | 162.7 | -86.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 33 | S | 41.8 | Very low | 36.5 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -99.1 | 102.6 | 156.9 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | N35 | S33-N35 VanDerWaalsContact C-N 3.32Å; S33-N35 PolarHBondContact O-N 3.04Å | ||
| 34 | V | 41.7 | Very low | 36.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -70.2 | 92.6 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | S36 | V34-S36 PolarHBondContact O-N 2.99Š| ||
| 35 | N | 37.3 | Very low | 36.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 101.6 | 164.7 | -84.4 | -19.5 | 0 | 0 | 0 | 107.7 | S33 L37 | S33-N35 VanDerWaalsContact C-N 3.32Å; S33-N35 PolarHBondContact O-N 3.04Å; N35-L37 VanDerWaalsContact C-N 3.26Å; N35-L37 PolarHBondContact O-N 3.46Å | ||
| 36 | S | 38.4 | Very low | 37.1 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -66.3 | 89.5 | 168.1 | 46 | 0 | 0 | 0 | 0 | 108.8 | V34 L38 | V34-S36 PolarHBondContact O-N 2.99Å; S36-L38 PolarHBondContact O-N 3.39Å | ||
| 37 | L | 37.6 | Very low | 37.2 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -65.6 | 82.7 | 164.8 | -76.4 | 163.8 | 0 | 0 | 0 | 108.1 | N35 H39 | N35-L37 VanDerWaalsContact C-N 3.26Å; N35-L37 PolarHBondContact O-N 3.46Å; L37-H39 PolarHBondContact O-N 3.22Å; L37-H39 PolarHBondContact O-ND1 3.23Å | ||
| 38 | L | 37.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -56.3 | 107.9 | 160 | -80.1 | 166.4 | 0 | 0 | 0 | 106.5 | S36 N40 | S36-L38 PolarHBondContact O-N 3.39Å; L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 3.45Å | ||
| 39 | H | 34.9 | Very low | 37.6 | Very low | 169 Ų | 169 | 137 Ų | 137 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 89.4 | 177.8 | -76.5 | 62.7 | 0 | 0 | 0 | 108.5 | L37 R41 | L37-H39 PolarHBondContact O-N 3.22Å; L37-H39 PolarHBondContact O-ND1 3.23Å; H39-R41 VanDerWaalsContact C-N 3.3Å; H39-R41 PolarHBondContact O-N 3.32Å | ||
| 40 | N | 38.3 | Very low | 37.7 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 95.5 | 165.7 | -89.2 | -15.9 | 0 | 0 | 0 | 108 | L38 H42 | L38-N40 VanDerWaalsContact C-N 3.28Å; L38-N40 PolarHBondContact O-N 3.45Å; N40-H42 PolarHBondContact O-CD2 3.21Å; N40-H42 PolarHBondContact O-N 2.88Å | ||
| 41 | R | 43.1 | Very low | 37.8 | Very low | 219 Ų | 219 | 130 Ų | 130 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -67.1 | 95.9 | 169.2 | -71.7 | -174.1 | 172.2 | -170.1 | -1.7 | 107.8 | H39 F43 | H39-R41 VanDerWaalsContact C-N 3.3Å; H39-R41 PolarHBondContact O-N 3.32Å; R41-F43 PolarHBondContact O-N 2.94Å | ||
| 42 | H | 41.1 | Very low | 37.5 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -66 | 101.7 | 168.9 | -66.3 | -72.7 | 0 | 0 | 0 | 108.6 | N40 A44 | N40-H42 PolarHBondContact O-CD2 3.21Å; N40-H42 PolarHBondContact O-N 2.88Å; H42-A44 PolarHBondContact O-N 3.4Å | ||
| 43 | F | 47.7 | Very low | 37.1 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 116.8 | 165.5 | -77 | -82.8 | 0 | 0 | 0 | 108.2 | R41 A45 | R41-F43 PolarHBondContact O-N 2.94Å; F43-A45 PolarHBondContact O-N 3.31Å | ||
| 44 | A | 35.7 | Very low | 36.5 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -72.7 | 77.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H42 | H42-A44 PolarHBondContact O-N 3.4Š| ||
| 45 | A | 35.2 | Very low | 35.5 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -99.4 | 70.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | F43 | F43-A45 PolarHBondContact O-N 3.31Š| ||
| 46 | A | 34.2 | Very low | 34.8 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -164 | 71.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 47 | A | 37.4 | Very low | 34 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -156.8 | 7.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 48 | A | 40.6 | Very low | 33.2 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -123.3 | 74.3 | 167 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 49 | A | 33.3 | Very low | 32.3 | Very low | 76 Ų | 76 | 146.3 Ų | 146.3 | 63% | 0.628 | 81% | 0.811 | S | S | * | * | 52.3 | 85.4 | 95.9 | 0 | 0 | 0 | 0 | 0 | 110 | T51 | A49-T51 VanDerWaalsContact C-N 3.3Å; A49-T51 PolarHBondContact O-N 3.49Å | |||
| 50 | A | 32.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | 41.8 | 56.4 | 69.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 51 | T | 33.8 | Very low | 31 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -133.5 | 134.8 | 154.8 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | A49 | A49-T51 VanDerWaalsContact C-N 3.3Å; A49-T51 PolarHBondContact O-N 3.49Å | ||
| 52 | K | 28.9 | Very low | 30 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 157.5 | -162.9 | -65 | 173.1 | 174.2 | 175.1 | 0 | 113.4 | ||||
| 53 | P | 28.4 | Very low | 29.3 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -85.8 | 123.7 | 176.6 | 33.4 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 54 | A | 28.4 | Very low | 28.1 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -132.4 | 104.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 55 | R | 21.3 | Very low | 27.4 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | 17.8 | 131.3 | 143.7 | -82.2 | 176.5 | 172.5 | 173.9 | -1.3 | 120.6 | ||||
| 56 | K | 21.8 | Very low | 27.1 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 95.3 | 114.4 | 131.1 | -77.9 | -176.2 | 176.5 | -172.1 | 0 | 120.7 | ||||
| 57 | I | 22.1 | Very low | 26.9 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | 88.4 | 109.8 | 126.1 | -63 | 170.3 | 0 | 0 | 0 | 119.8 | |||||
| 58 | K | 21 | Very low | 26.8 | Very low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 56.8 | 128.1 | 135.5 | -66.2 | -177.5 | 176 | 179.2 | 0 | 122.5 | ||||
| 59 | K | 19.6 | Very low | 26.5 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | 96.1 | 123.7 | 132.9 | -120.3 | -179.3 | 179.7 | -174.8 | 0 | 118.5 | ||||
| 60 | G | 21.5 | Very low | 27.3 | Very low | 70 Ų | 70 | 149.9 Ų | 149.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 123.7 | 77.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 61 | A | 22.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | 50.4 | 81.5 | 87.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 62 | K | 23.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | -171.3 | 133.5 | 129.7 | -134.1 | 174.4 | 172.5 | -180 | 0 | 111.4 | |||||
| 63 | E | 25.4 | Very low | 30 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 42.2 | 96.4 | 159.3 | -88.5 | 160.5 | 135.8 | 0 | 0 | 118.6 | T65 | E63-T65 VanDerWaalsContact C-N 3.35Å; E63-T65 PolarHBondContact O-N 3.27Å; E63-T65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | K | 23.1 | Very low | 31.2 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -71.4 | 92.2 | 155.2 | -68.1 | 179.1 | 178.5 | 179.6 | 0 | 108.2 | S66 | K64-S66 PolarHBondContact O-N 3.42Å; K64-S66 VanDerWaalsContact O-N 3.08Å | ||
| 65 | T | 21.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 97 | 140.1 | 41 | 0 | 0 | 0 | 0 | 105.1 | E63 D67 | E63-T65 VanDerWaalsContact C-N 3.35Å; E63-T65 PolarHBondContact O-N 3.27Å; E63-T65 VanDerWaalsContact O-N 3.1Å; T65-D67 VanDerWaalsContact C-N 3.3Å; T65-D67 PolarHBondContact O-N 3.01Å | ||
| 66 | S | 28.2 | Very low | 34 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | trans | -64.6 | 99.6 | 170.4 | 46.4 | 0 | 0 | 0 | 0 | 106.9 | K64 E68 | K64-S66 PolarHBondContact O-N 3.42Å; K64-S66 VanDerWaalsContact O-N 3.08Å; S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 PolarHBondContact O-N 3.18Å | ||
| 67 | D | 29.1 | Very low | 35.5 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -52.7 | 97.5 | 158.9 | -68.4 | -52.2 | 0 | 0 | 0 | 107.2 | T65 K69 | T65-D67 VanDerWaalsContact C-N 3.3Å; T65-D67 PolarHBondContact O-N 3.01Å; D67-K69 PolarHBondContact O-N 2.96Å | ||
| 68 | E | 35.9 | Very low | 37.2 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -61.9 | 102.4 | 167.1 | -75.9 | -178.3 | 167.5 | 0 | 0 | 106.6 | S66 | S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 PolarHBondContact O-N 3.18Å | ||
| 69 | K | 34.7 | Very low | 39.3 | Very low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.726 | 69% | 0.686 | S | S | * | * | trans | -58.7 | 139.7 | 175.3 | -72.3 | 174.8 | 176.5 | 175.5 | 0 | 108.8 | D67 V71 | D67-K69 PolarHBondContact O-N 2.96Å; K69-V71 HydrophobicContact CB-CG2 4.4Å; K69-V71 PolarHBondContact O-N 2.89Å | ||
| 70 | P | 48.7 | Very low | 41.4 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 55.8 | -172.6 | 33.9 | -36.8 | 0 | 0 | 0 | 112.7 | ||
| 71 | V | 46.2 | Very low | 44.3 | Very low | 79 Ų | 79 | 128 Ų | 128 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.1 | -24 | 176.7 | -177 | 0 | 0 | 0 | 0 | 111.3 | K69 | K69-V71 HydrophobicContact CB-CG2 4.4Å; K69-V71 PolarHBondContact O-N 2.89Å |
| 72 | D | 52.7 | Low | 47.2 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 49% | 0.492 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -80.8 | -29.2 | -168.2 | -63.2 | -6.6 | 0 | 0 | 0 | 114.4 | E75 K76 | D72-E75 PolarHBondContact O-N 3.14Å; D72-K76 WeakPolarHBondContact O-CB 3.31Å; D72-K76 WeakPolarHBondContact O-CG 3.15Å; D72-K76 PolarHBondContact O-N 2.93Å |
| 73 | D | 53.9 | Low | 50.1 | Low | 107 Ų | 107 | 125.4 Ų | 125.4 | 57% | 0.572 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.2 | -34.9 | -178.7 | -67.9 | -24.5 | 0 | 0 | 0 | 112 | E75 K76 I77 | D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 3.49Å; D73-K76 PolarHBondContact O-N 3.49Å; D73-I77 VanDerWaalsContact O-CD1 3.31Å; D73-I77 WeakPolarHBondContact O-CD1 3.46Å; D73-I77 WeakPolarHBondContact O-CG1 3.37Å; D73-I77 PolarHBondContact O-N 2.89Å |
| 74 | I | 53.6 | Low | 52.7 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.9 | -34.4 | 178.8 | -59.8 | 174 | 0 | 0 | 0 | 110.5 | K78 | I74-K78 WeakPolarHBondContact O-CG 3.46Å |
| 75 | E | 55.6 | Low | 55.7 | Low | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.542 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.1 | -39.5 | 176.9 | -66.4 | -172.2 | 173.3 | 0 | 0 | 112.1 | D72 D73 I77 K78 | D72-E75 PolarHBondContact O-N 3.14Å; D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 3.49Å; E75-I77 PolarHBondContact O-N 3.47Å; E75-K78 WeakPolarHBondContact O-CB 3.22Å; E75-K78 PolarHBondContact O-N 3.34Å |
| 76 | K | 52.9 | Low | 58.7 | Low | 137 Ų | 137 | 121.6 Ų | 121.6 | 60% | 0.596 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.3 | -32.3 | 171.5 | -76.8 | 173.3 | -176 | 168.7 | 0 | 112.8 | D72 D73 K78 S79 | D72-K76 WeakPolarHBondContact O-CB 3.31Å; D72-K76 WeakPolarHBondContact O-CG 3.15Å; D72-K76 PolarHBondContact O-N 2.93Å; D73-K76 PolarHBondContact O-N 3.49Å; K76-K78 PolarHBondContact O-N 3.48Å; K76-S79 PolarHBondContact O-OG 2.93Å |
| 77 | I | 53.4 | Low | 61.6 | Low | 97 Ų | 97 | 118 Ų | 118 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -24.1 | 173.2 | -70.6 | 162.5 | 0 | 0 | 0 | 112.2 | D73 E75 Y80 | D73-I77 VanDerWaalsContact O-CD1 3.31Å; D73-I77 WeakPolarHBondContact O-CD1 3.46Å; D73-I77 WeakPolarHBondContact O-CG1 3.37Å; D73-I77 PolarHBondContact O-N 2.89Å; E75-I77 PolarHBondContact O-N 3.47Å; I77-Y80 HydrophobicContact CB-CE2 4.36Å; I77-Y80 HydrophobicContact CG2-CE2 4.22Å; I77-Y80 WeakPolarHBondContact O-CD2 3.42Å; I77-Y80 WeakPolarHBondContact O-CE2 3.1Å |
| 78 | K | 57.6 | Low | 64.3 | Low | 161 Ų | 161 | 119.7 Ų | 119.7 | 70% | 0.7 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -17.6 | -178.1 | -69.2 | 172.8 | -174.1 | 172.7 | 0 | 113.6 | I74 E75 K76 | I74-K78 WeakPolarHBondContact O-CG 3.46Å; E75-K78 WeakPolarHBondContact O-CB 3.22Å; E75-K78 PolarHBondContact O-N 3.34Å; K76-K78 PolarHBondContact O-N 3.48Å |
| 79 | S | 65.1 | Low | 66.9 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | trans | -109.4 | 35.1 | -172.4 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | K76 T81 | K76-S79 PolarHBondContact O-OG 2.93Å; S79-T81 PolarHBondContact O-N 2.83Å | ||
| 80 | Y | 64.8 | Low | 69.5 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 121.3 | 167.9 | -66.9 | -72.1 | 0 | 0 | 0 | 109 | I77 | I77-Y80 HydrophobicContact CB-CE2 4.36Å; I77-Y80 HydrophobicContact CG2-CE2 4.22Å; I77-Y80 WeakPolarHBondContact O-CD2 3.42Å; I77-Y80 WeakPolarHBondContact O-CE2 3.1Å |
| 81 | T | 80.8 | Confident | 71.5 | Confident | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.6 | 163.1 | -46.7 | 0 | 0 | 0 | 0 | 107.8 | S79 | S79-T81 PolarHBondContact O-N 2.83Š|
| 82 | Y | 83.9 | Confident | 73.6 | Confident | 143 Ų | 143 | 117.9 Ų | 117.9 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.4 | 173.6 | -70.1 | -62.3 | 0 | 0 | 0 | 110.3 | E84 Y97 P98 | Y82-E84 PolarHBondContact O-N 2.97Å; Y82-Y97 VanDerWaalsContact CD1-C 3.41Å; Y82-Y97 WeakPolarHBondContact CE1-O 3.27Å; Y82-P98 HydrophobicContact CG-CB 4.38Å |
| 83 | M | 84.4 | Confident | 75.3 | Confident | 91 Ų | 91 | 118.4 Ų | 118.4 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 134 | 166.8 | -62 | -62.2 | 177.4 | 0 | 0 | 108.8 | L96 Y97 | M83-L96 HydrophobicContact CG-CB 4.37Å; M83-L96 PolarHBondContact N-O 2.98Å; M83-Y97 HydrophobicContact CB-CD1 4.02Å; M83-Y97 HydrophobicContact CB-CE1 3.79Å; M83-Y97 HydrophobicContact CG-CE1 4.31Å |
| 84 | E | 81.7 | Confident | 76.9 | Confident | 201 Ų | 201 | 119.5 Ų | 119.5 | 94% | 0.939 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -77.4 | -30 | 179.2 | -65.6 | -178 | 174.8 | 0 | 0 | 112.1 | Y82 | Y82-E84 PolarHBondContact O-N 2.97Š|
| 85 | S | 85.2 | Confident | 78.5 | Confident | 70 Ų | 70 | 122.3 Ų | 122.3 | 49% | 0.49 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -78.7 | 151.7 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | Y97 | S85-Y97 WeakPolarHBondContact O-CD1 3.44Å; S85-Y97 VanDerWaalsContact O-CE1 3.27Å; S85-Y97 WeakPolarHBondContact O-CE1 3.46Å |
| 86 | D | 84.8 | Confident | 80 | Confident | 131 Ų | 131 | 118.6 Ų | 118.6 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 152.2 | 164.3 | -77.8 | -42.8 | 0 | 0 | 0 | 110.3 | E88 | D86-E88 PolarHBondContact O-N 3.31Š|
| 87 | P | 88.5 | Confident | 81.7 | Confident | 19 Ų | 19 | 114.2 Ų | 114.2 | 12% | 0.123 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -64.4 | 128.3 | 176.5 | 26.6 | -33.6 | 0 | 0 | 0 | 110.2 | Y92 Y97 | P87-Y92 HydrophobicContact CB-CD1 3.48Å; P87-Y92 VanDerWaalsContact CB-CD1 3.48Å; P87-Y92 HydrophobicContact CB-CD2 4.02Å; P87-Y92 HydrophobicContact CB-CE1 4.04Å; P87-Y92 HydrophobicContact CB-CG 3.46Å; P87-Y92 VanDerWaalsContact CB-CG 3.46Å; P87-Y92 HydrophobicContact CG-CD1 3.58Å; P87-Y92 HydrophobicContact CG-CD2 4.14Å; P87-Y92 HydrophobicContact CG-CE1 3.58Å; P87-Y92 HydrophobicContact CG-CE2 4.12Å; P87-Y92 HydrophobicContact CG-CG 3.87Å; P87-Y97 HydrophobicContact CB-CD1 4.35Å; P87-Y97 HydrophobicContact CB-CE1 3.85Å; P87-Y97 HydrophobicContact CB-CE2 4.08Å; P87-Y97 HydrophobicContact CG-CD1 4.49Å; P87-Y97 HydrophobicContact CG-CE1 4.41Å |
| 88 | E | 86.9 | Confident | 83.4 | Confident | 182 Ų | 182 | 113 Ų | 113 | 85% | 0.85 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -68.6 | -37 | 178.6 | -62.9 | 178.8 | 179.8 | 0 | 0 | 111.7 | D86 | D86-E88 PolarHBondContact O-N 3.31Š|
| 89 | D | 89.8 | Confident | 84.8 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -98.5 | 153.4 | -179.1 | -65.8 | -41 | 0 | 0 | 0 | 112.5 | V91 Y92 | D89-V91 PolarHBondContact O-N 3.47Å; D89-Y92 WeakPolarHBondContact O-CD1 3.46Å |
| 90 | D | 88.1 | Confident | 86.1 | Confident | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -62.1 | -29.6 | 171.2 | -70.4 | -33.4 | 0 | 0 | 0 | 112.6 | ||
| 91 | V | 91.1 | Very high | 87.5 | Confident | 131 Ų | 131 | 111.4 Ų | 111.4 | 79% | 0.794 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -108.5 | 105.2 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | D89 | D89-V91 PolarHBondContact O-N 3.47Š|
| 92 | Y | 89.9 | Confident | 88.2 | Confident | 78 Ų | 78 | 107.8 Ų | 107.8 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | trans | -135 | 157.6 | -179 | 61.2 | -88.3 | 0 | 0 | 0 | 111.9 | P87 D89 K94 Y97 R100 | P87-Y92 HydrophobicContact CB-CD1 3.48Å; P87-Y92 VanDerWaalsContact CB-CD1 3.48Å; P87-Y92 HydrophobicContact CB-CD2 4.02Å; P87-Y92 HydrophobicContact CB-CE1 4.04Å; P87-Y92 HydrophobicContact CB-CG 3.46Å; P87-Y92 VanDerWaalsContact CB-CG 3.46Å; P87-Y92 HydrophobicContact CG-CD1 3.58Å; P87-Y92 HydrophobicContact CG-CD2 4.14Å; P87-Y92 HydrophobicContact CG-CE1 3.58Å; P87-Y92 HydrophobicContact CG-CE2 4.12Å; P87-Y92 HydrophobicContact CG-CG 3.87Å; D89-Y92 WeakPolarHBondContact O-CD1 3.46Å; Y92-K94 PolarHBondContact O-N 3.42Å; Y92-K94 VanDerWaalsContact O-N 3.14Å; Y92-Y97 AromaticContact CD2-CD2 3.48Å; Y92-Y97 HydrophobicContact CD2-CD2 3.48Å; Y92-Y97 VanDerWaalsContact CD2-CD2 3.48Å; Y92-Y97 AromaticContact CD2-CE2 3.86Å; Y92-Y97 HydrophobicContact CD2-CE2 3.86Å; Y92-Y97 HydrophobicContact CD2-CG 4.17Å; Y92-Y97 HydrophobicContact CE2-CD2 4.16Å; Y92-Y97 HydrophobicContact CE2-CG 4.45Å; Y92-Y97 HydrophobicContact CG-CD2 4.27Å; Y92-Y97 HydrophobicContact CG-CE2 4.19Å; Y92-R100 VanDerWaalsContact OH-CZ 3.25Å; Y92-R100 PolarHBondContact OH-NE 3.26Å; Y92-R100 PolarHBondContact OH-NH2 3.11Å | ||
| 93 | L | 89.6 | Confident | 88.7 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | trans | -75.6 | 104 | 177 | -64.2 | 176.1 | 0 | 0 | 0 | 110 | R95 L96 | L93-R95 HydrophobicContact CB-CG 4.49Å; L93-R95 PolarHBondContact O-N 2.8Å; L93-L96 HydrophobicContact CB-CD1 3.97Å; L93-L96 HydrophobicContact CB-CG 4.04Å; L93-L96 HydrophobicContact CD1-CD1 3.95Å; L93-L96 PolarHBondContact O-N 2.87Å | ||
| 94 | K | 87.3 | Confident | 89.2 | Confident | 130 Ų | 130 | 101 Ų | 101 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -47.6 | -29.8 | -179.7 | -173.4 | 173.7 | -176.2 | 170.8 | 0 | 115 | Y92 L96 E306 | Y92-K94 PolarHBondContact O-N 3.42Å; Y92-K94 VanDerWaalsContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 PolarHBondContact O-N 2.62Å; K94-E306 IonicContact NZ-OE1 3.83Å; K94-E306 IonicContact NZ-OE2 2.76Å; K94-E306 PolarHBondContact NZ-OE2 3.34Å |
| 95 | R | 86.3 | Confident | 89.9 | Confident | 162 Ų | 162 | 98.6 Ų | 98.6 | 61% | 0.611 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.4 | 179.4 | 69.8 | 179.6 | 180 | -179 | 0.2 | 114.8 | L93 | L93-R95 HydrophobicContact CB-CG 4.49Å; L93-R95 PolarHBondContact O-N 2.8Å |
| 96 | L | 87.8 | Confident | 90.4 | Very high | 38 Ų | 38 | 100.7 Ų | 100.7 | 20% | 0.199 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -88.4 | -12.7 | -176.8 | -62.2 | -178.4 | 0 | 0 | 0 | 112.8 | M83 L93 K94 | M83-L96 HydrophobicContact CG-CB 4.37Å; M83-L96 PolarHBondContact N-O 2.98Å; L93-L96 HydrophobicContact CB-CD1 3.97Å; L93-L96 HydrophobicContact CB-CG 4.04Å; L93-L96 HydrophobicContact CD1-CD1 3.95Å; L93-L96 PolarHBondContact O-N 2.87Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 PolarHBondContact O-N 2.62Å |
| 97 | Y | 89 | Confident | 91 | Very high | 46 Ų | 46 | 94.4 Ų | 94.4 | 18% | 0.18 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -118.9 | 148.5 | -174.4 | -65.2 | -88.3 | 0 | 0 | 0 | 110.5 | Y82 M83 S85 P87 Y92 | Y82-Y97 VanDerWaalsContact CD1-C 3.41Å; Y82-Y97 WeakPolarHBondContact CE1-O 3.27Å; M83-Y97 HydrophobicContact CB-CD1 4.02Å; M83-Y97 HydrophobicContact CB-CE1 3.79Å; M83-Y97 HydrophobicContact CG-CE1 4.31Å; S85-Y97 WeakPolarHBondContact O-CD1 3.44Å; S85-Y97 VanDerWaalsContact O-CE1 3.27Å; S85-Y97 WeakPolarHBondContact O-CE1 3.46Å; P87-Y97 HydrophobicContact CB-CD1 4.35Å; P87-Y97 HydrophobicContact CB-CE1 3.85Å; P87-Y97 HydrophobicContact CB-CE2 4.08Å; P87-Y97 HydrophobicContact CG-CD1 4.49Å; P87-Y97 HydrophobicContact CG-CE1 4.41Å; Y92-Y97 AromaticContact CD2-CD2 3.48Å; Y92-Y97 HydrophobicContact CD2-CD2 3.48Å; Y92-Y97 VanDerWaalsContact CD2-CD2 3.48Å; Y92-Y97 AromaticContact CD2-CE2 3.86Å; Y92-Y97 HydrophobicContact CD2-CE2 3.86Å; Y92-Y97 HydrophobicContact CD2-CG 4.17Å; Y92-Y97 HydrophobicContact CE2-CD2 4.16Å; Y92-Y97 HydrophobicContact CE2-CG 4.45Å; Y92-Y97 HydrophobicContact CG-CD2 4.27Å; Y92-Y97 HydrophobicContact CG-CE2 4.19Å |
| 98 | P | 88.4 | Confident | 91.3 | Very high | 71 Ų | 71 | 93.6 Ų | 93.6 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 155.9 | 174.8 | 29.5 | -33.7 | 0 | 0 | 0 | 110.4 | Y82 R100 | Y82-P98 HydrophobicContact CG-CB 4.38Å; P98-R100 PolarHBondContact O-N 2.68Å |
| 99 | R | 88.6 | Confident | 91.8 | Very high | 129 Ų | 129 | 89.6 Ų | 89.6 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -67 | 124 | 176.9 | -164.9 | 173.2 | -171.2 | 176.1 | -0.1 | 109.4 | G307 | R99-G307 PolarHBondContact NH2-O 3.38Š|
| 100 | R | 91.2 | Very high | 92.1 | Very high | 108 Ų | 108 | 86 Ų | 86 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 139.2 | 178.6 | -68.2 | -176.9 | 174.8 | 177.2 | -1.7 | 111.4 | Y92 P98 Y102 | Y92-R100 VanDerWaalsContact OH-CZ 3.25Å; Y92-R100 PolarHBondContact OH-NE 3.26Å; Y92-R100 PolarHBondContact OH-NH2 3.11Å; P98-R100 PolarHBondContact O-N 2.68Å; R100-Y102 HydrophobicContact CB-CE1 4.41Å; R100-Y102 HydrophobicContact CB-CE2 3.72Å |
| 101 | I | 93.7 | Very high | 92.5 | Very high | 96 Ų | 96 | 78.1 Ų | 78.1 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.6 | 176.6 | -47.2 | 178.3 | 0 | 0 | 0 | 108.2 | L309 K311 | I101-L309 HydrophobicContact CG1-CD2 3.92Å; I101-L309 HydrophobicContact CG1-CG 4.32Å; I101-L309 HydrophobicContact CG2-CG 4.35Å; I101-K311 HydrophobicContact CB-CG 4.33Å; I101-K311 HydrophobicContact CG2-CB 4.14Å; I101-K311 HydrophobicContact CG2-CG 3.42Å; I101-K311 VanDerWaalsContact CG2-CG 3.42Å |
| 102 | Y | 95.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 74.4 Ų | 74.4 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.4 | -173.7 | -62.6 | -83.1 | 0 | 0 | 0 | 111.9 | R100 L110 L308 L309 L310 K311 | R100-Y102 HydrophobicContact CB-CE1 4.41Å; R100-Y102 HydrophobicContact CB-CE2 3.72Å; Y102-L110 HydrophobicContact CD1-CD1 3.64Å; Y102-L110 HydrophobicContact CE1-CD1 3.36Å; Y102-L110 HydrophobicContact CG-CD1 4.36Å; Y102-L308 HydrophobicContact CD2-CB 4.11Å; Y102-L308 HydrophobicContact CD2-CD2 4.18Å; Y102-L308 HydrophobicContact CE2-CD2 3.83Å; Y102-L309 PolarHBondContact N-O 3.34Å; Y102-L310 CarbonylContact O-C 3.58Å; Y102-L310 WeakPolarHBondContact O-CA 3.2Å; Y102-K311 PolarHBondContact O-N 3.08Å |
| 103 | E | 95.7 | Very high | 93 | Very high | 71 Ų | 71 | 75.7 Ų | 75.7 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | trans | -68.7 | 154.2 | 161 | -77.6 | 146.9 | -151.8 | 0 | 0 | 110.2 | E105 K106 A107 K311 | E103-E105 PolarHBondContact O-N 3.41Å; E103-K106 HydrophobicContact CB-CB 4.45Å; E103-K106 HydrophobicContact CB-CD 4.34Å; E103-K106 HydrophobicContact CB-CG 4.45Å; E103-K106 PolarHBondContact O-N 3.36Å; E103-K106 IonicContact OE1-NZ 2.81Å; E103-K106 WeakPolarHBondContact OE2-CE 3.21Å; E103-K106 IonicContact OE2-NZ 3.78Å; E103-K106 PolarHBondContact OE2-NZ 3.03Å; E103-A107 WeakPolarHBondContact O-CB 3.39Å; E103-A107 PolarHBondContact O-N 2.96Å; E103-K311 HydrophobicContact CG-CD 4Å; E103-K311 IonicContact OE1-NZ 2.73Å; E103-K311 PolarHBondContact OE1-NZ 3.42Å | ||
| 104 | V | 95.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | K106 A107 I108 A273 L276 L315 | V104-K106 PolarHBondContact O-N 2.97Å; V104-A107 PolarHBondContact O-N 3.05Å; V104-I108 HydrophobicContact CG1-CD1 3.8Å; V104-I108 VanDerWaalsContact O-CG1 3.3Å; V104-I108 WeakPolarHBondContact O-CG1 3.28Å; V104-I108 PolarHBondContact O-N 2.83Å; V104-A273 HydrophobicContact CG1-CB 4.13Å; V104-L276 HydrophobicContact CG1-CD1 4.23Å; V104-L315 HydrophobicContact CG2-CD1 3.86Å; V104-L315 HydrophobicContact CG2-CD2 3.76Å; V104-L315 HydrophobicContact CG2-CG 4.02Å |
| 105 | E | 95.2 | Very high | 93.6 | Very high | 152 Ų | 152 | 68.3 Ų | 68.3 | 71% | 0.71 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | -179.7 | -63.8 | 175.2 | -172.8 | 0 | 0 | 111.9 | E103 A107 I108 H109 | E103-E105 PolarHBondContact O-N 3.41Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 3.28Å; E105-I108 PolarHBondContact O-N 3.32Å; E105-H109 WeakPolarHBondContact O-CB 3.26Å; E105-H109 PolarHBondContact O-N 2.92Å |
| 106 | K | 95.9 | Very high | 94 | Very high | 113 Ų | 113 | 65 Ų | 65 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.9 | -70.3 | 177.5 | 179.3 | 148.5 | 0 | 111.2 | E103 V104 H109 L110 | E103-K106 HydrophobicContact CB-CB 4.45Å; E103-K106 HydrophobicContact CB-CD 4.34Å; E103-K106 HydrophobicContact CB-CG 4.45Å; E103-K106 PolarHBondContact O-N 3.36Å; E103-K106 IonicContact OE1-NZ 2.81Å; E103-K106 WeakPolarHBondContact OE2-CE 3.21Å; E103-K106 IonicContact OE2-NZ 3.78Å; E103-K106 PolarHBondContact OE2-NZ 3.03Å; V104-K106 PolarHBondContact O-N 2.97Å; K106-H109 PolarHBondContact O-N 3.11Å; K106-L110 WeakPolarHBondContact O-CB 3.35Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.16Å; K106-L110 PolarHBondContact O-N 2.8Å |
| 107 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E103 V104 E105 H109 L110 L111 L300 L308 L310 | E103-A107 WeakPolarHBondContact O-CB 3.39Å; E103-A107 PolarHBondContact O-N 2.96Å; V104-A107 PolarHBondContact O-N 3.05Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 3.28Å; A107-H109 VanDerWaalsContact C-N 3.33Å; A107-H109 PolarHBondContact O-N 2.97Å; A107-L110 PolarHBondContact O-N 2.79Å; A107-L111 WeakPolarHBondContact O-CG 3.21Å; A107-L111 PolarHBondContact O-N 2.89Å; A107-L300 HydrophobicContact CB-CD2 4.17Å; A107-L308 HydrophobicContact CB-CB 4.4Å; A107-L308 HydrophobicContact CB-CD1 4.05Å; A107-L308 WeakPolarHBondContact O-CD1 3.48Å; A107-L310 HydrophobicContact CB-CD2 3.42Å; A107-L310 VanDerWaalsContact CB-CD2 3.42Å |
| 108 | I | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.5 | -66.5 | 163.8 | 0 | 0 | 0 | 110.7 | V104 E105 L110 L111 K112 I272 A273 L300 | V104-I108 HydrophobicContact CG1-CD1 3.8Å; V104-I108 VanDerWaalsContact O-CG1 3.3Å; V104-I108 WeakPolarHBondContact O-CG1 3.28Å; V104-I108 PolarHBondContact O-N 2.83Å; E105-I108 PolarHBondContact O-N 3.32Å; I108-L110 PolarHBondContact O-N 2.86Å; I108-L111 PolarHBondContact O-N 2.82Å; I108-K112 PolarHBondContact O-N 2.87Å; I108-I272 HydrophobicContact CD1-CB 4.04Å; I108-I272 HydrophobicContact CD1-CG2 3.84Å; I108-I272 HydrophobicContact CG1-CG2 4.01Å; I108-I272 HydrophobicContact CG2-CD1 3.98Å; I108-A273 HydrophobicContact CD1-CB 4.1Å; I108-L300 HydrophobicContact CG1-CD2 3.82Å |
| 109 | H | 96.5 | Very high | 94.9 | Very high | 98 Ų | 98 | 76.7 Ų | 76.7 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 177.1 | 176.2 | -114.4 | 0 | 0 | 0 | 112.6 | E105 K106 A107 K112 K113 | E105-H109 WeakPolarHBondContact O-CB 3.26Å; E105-H109 PolarHBondContact O-N 2.92Å; K106-H109 PolarHBondContact O-N 3.11Å; A107-H109 VanDerWaalsContact C-N 3.33Å; A107-H109 PolarHBondContact O-N 2.97Å; H109-K112 PolarHBondContact O-N 2.86Å; H109-K113 WeakPolarHBondContact CE1-CE 3.5Å; H109-K113 PolarHBondContact CE1-NZ 2.73Å; H109-K113 WeakPolarHBondContact NE2-CE 3.32Å; H109-K113 WeakPolarHBondContact O-CG 3.48Å; H109-K113 PolarHBondContact O-N 3.18Å |
| 110 | L | 96.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.5 | -74.4 | 173.9 | 0 | 0 | 0 | 112.3 | Y102 K106 A107 I108 K112 K113 F114 L308 | Y102-L110 HydrophobicContact CD1-CD1 3.64Å; Y102-L110 HydrophobicContact CE1-CD1 3.36Å; Y102-L110 HydrophobicContact CG-CD1 4.36Å; K106-L110 WeakPolarHBondContact O-CB 3.35Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.16Å; K106-L110 PolarHBondContact O-N 2.8Å; A107-L110 PolarHBondContact O-N 2.79Å; I108-L110 PolarHBondContact O-N 2.86Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.19Å; L110-K113 CarbonylContact O-C 3.54Å; L110-K113 WeakPolarHBondContact O-CB 3.15Å; L110-K113 PolarHBondContact O-N 2.9Å; L110-K113 VanDerWaalsContact O-N 3.12Å; L110-F114 HydrophobicContact CB-CE2 4.39Å; L110-F114 HydrophobicContact CB-CZ 4.3Å; L110-F114 WeakPolarHBondContact O-CG 3.45Å; L110-F114 PolarHBondContact O-N 2.89Å; L110-L308 HydrophobicContact CB-CD1 3.78Å; L110-L308 HydrophobicContact CD1-CD1 4.26Å |
| 111 | L | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 176.5 | -67.6 | 177.4 | 0 | 0 | 0 | 112.3 | A107 I108 F114 Q115 V126 L265 L300 S305 L308 | A107-L111 WeakPolarHBondContact O-CG 3.21Å; A107-L111 PolarHBondContact O-N 2.89Å; I108-L111 PolarHBondContact O-N 2.82Å; L111-F114 HydrophobicContact CD2-CD2 4.15Å; L111-F114 PolarHBondContact O-N 3.3Å; L111-Q115 PolarHBondContact O-N 2.9Å; L111-V126 HydrophobicContact CD1-CG1 4.45Å; L111-L265 HydrophobicContact CB-CD2 3.89Å; L111-L300 HydrophobicContact CD1-CB 4.3Å; L111-L300 HydrophobicContact CD1-CD2 3.61Å; L111-L300 HydrophobicContact CD1-CG 3.58Å; L111-S305 WeakPolarHBondContact CD2-OG 3.43Å; L111-L308 HydrophobicContact CD2-CD1 3.94Å; L111-L308 HydrophobicContact CD2-CG 4.26Å; L111-L308 HydrophobicContact CG-CD1 3.96Å |
| 112 | K | 95.7 | Very high | 95.4 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 173 | -72.1 | -178.9 | 173.7 | 179.8 | 0 | 111.5 | I108 H109 L110 Q115 V116 L265 M267 S269 | I108-K112 PolarHBondContact O-N 2.87Å; H109-K112 PolarHBondContact O-N 2.86Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.19Å; K112-Q115 WeakPolarHBondContact O-CB 3.29Å; K112-Q115 PolarHBondContact O-N 3.47Å; K112-V116 WeakPolarHBondContact O-CG2 3.39Å; K112-V116 PolarHBondContact O-N 2.78Å; K112-L265 VanDerWaalsContact CE-O 3.23Å; K112-L265 WeakPolarHBondContact CE-O 3.19Å; K112-L265 HydrophobicContact CG-CD2 4.36Å; K112-M267 WeakPolarHBondContact CE-O 3.36Å; K112-M267 PolarHBondContact NZ-O 3.38Å; K112-S269 PolarHBondContact NZ-OG 3.23Å; K112-S269 VanDerWaalsContact NZ-OG 3.1Å |
| 113 | K | 95.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 74.5 Ų | 74.5 | 45% | 0.452 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.4 | -76.3 | -179.4 | 165.8 | -176.8 | 0 | 112.6 | H109 L110 Q115 V116 L117 | H109-K113 WeakPolarHBondContact CE1-CE 3.5Å; H109-K113 PolarHBondContact CE1-NZ 2.73Å; H109-K113 WeakPolarHBondContact NE2-CE 3.32Å; H109-K113 WeakPolarHBondContact O-CG 3.48Å; H109-K113 PolarHBondContact O-N 3.18Å; L110-K113 CarbonylContact O-C 3.54Å; L110-K113 WeakPolarHBondContact O-CB 3.15Å; L110-K113 PolarHBondContact O-N 2.9Å; L110-K113 VanDerWaalsContact O-N 3.12Å; K113-Q115 VanDerWaalsContact C-N 3.28Å; K113-Q115 PolarHBondContact O-N 3.38Å; K113-V116 PolarHBondContact O-N 3.32Å; K113-V116 VanDerWaalsContact O-N 3.16Å; K113-L117 WeakPolarHBondContact O-CG 3.48Å; K113-L117 PolarHBondContact O-N 3.33Å |
| 114 | F | 95.2 | Very high | 95.2 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 19% | 0.193 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -42.2 | 176.1 | -62.6 | -23.8 | 0 | 0 | 0 | 111.1 | L110 L111 V116 L117 D118 E306 L308 | L110-F114 HydrophobicContact CB-CE2 4.39Å; L110-F114 HydrophobicContact CB-CZ 4.3Å; L110-F114 WeakPolarHBondContact O-CG 3.45Å; L110-F114 PolarHBondContact O-N 2.89Å; L111-F114 HydrophobicContact CD2-CD2 4.15Å; L111-F114 PolarHBondContact O-N 3.3Å; F114-V116 VanDerWaalsContact C-N 3.29Å; F114-V116 PolarHBondContact O-N 2.81Å; F114-L117 PolarHBondContact O-N 3.28Å; F114-D118 VanDerWaalsContact O-CB 3.26Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 VanDerWaalsContact O-CG 3.26Å; F114-D118 PolarHBondContact O-N 2.98Å; F114-E306 HydrophobicContact CE2-CG 4.26Å; F114-L308 HydrophobicContact CE2-CD1 4.13Å; F114-L308 HydrophobicContact CE2-CD2 3.91Å; F114-L308 HydrophobicContact CE2-CG 4.27Å; F114-L308 HydrophobicContact CZ-CD2 4.31Å |
| 115 | Q | 94.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 71 Ų | 71 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 176 | 176.4 | -83.3 | -38.8 | 0 | 0 | 112.6 | L111 K112 K113 F119 T120 L265 | L111-Q115 PolarHBondContact O-N 2.9Å; K112-Q115 WeakPolarHBondContact O-CB 3.29Å; K112-Q115 PolarHBondContact O-N 3.47Å; K113-Q115 VanDerWaalsContact C-N 3.28Å; K113-Q115 PolarHBondContact O-N 3.38Å; Q115-F119 PolarHBondContact O-N 2.79Å; Q115-T120 WeakPolarHBondContact CA-OG1 3.4Å; Q115-T120 PolarHBondContact NE2-O 3.23Å; Q115-T120 PolarHBondContact O-N 3.16Å; Q115-T120 VanDerWaalsContact O-N 3.09Å; Q115-T120 PolarHBondContact O-OG1 2.85Å; Q115-L265 HydrophobicContact CB-CD1 3.73Å; Q115-L265 HydrophobicContact CG-CD1 4.08Å |
| 116 | V | 95 | Very high | 95.2 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 56% | 0.564 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.8 | -45 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.6 | K112 K113 F114 F119 | K112-V116 WeakPolarHBondContact O-CG2 3.39Å; K112-V116 PolarHBondContact O-N 2.78Å; K113-V116 PolarHBondContact O-N 3.32Å; K113-V116 VanDerWaalsContact O-N 3.16Å; F114-V116 VanDerWaalsContact C-N 3.29Å; F114-V116 PolarHBondContact O-N 2.81Å; V116-F119 PolarHBondContact O-N 3.28Å |
| 117 | L | 95 | Very high | 95.3 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.1 | -36.1 | -178.2 | -68.1 | 173.3 | 0 | 0 | 0 | 112.9 | K113 F114 F119 | K113-L117 WeakPolarHBondContact O-CG 3.48Å; K113-L117 PolarHBondContact O-N 3.33Å; F114-L117 PolarHBondContact O-N 3.28Å; L117-F119 VanDerWaalsContact C-N 3.28Å; L117-F119 VanDerWaalsContact O-CD2 3.28Å; L117-F119 WeakPolarHBondContact O-CD2 3.49Å; L117-F119 WeakPolarHBondContact O-CE2 3.44Å |
| 118 | D | 94.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.4 | 179.8 | -63.3 | -22.6 | 0 | 0 | 0 | 112.4 | F114 T120 | F114-D118 VanDerWaalsContact O-CB 3.26Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 VanDerWaalsContact O-CG 3.26Å; F114-D118 PolarHBondContact O-N 2.98Å; D118-T120 VanDerWaalsContact C-N 3.25Å; D118-T120 HydrophobicContact CB-CG2 3.73Å; D118-T120 PolarHBondContact O-N 2.9Å |
| 119 | F | 94.7 | Very high | 95.3 | Very high | 191 Ų | 191 | 62.4 Ų | 62.4 | 84% | 0.838 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.6 | -176.3 | -59.4 | -88.2 | 0 | 0 | 0 | 113.2 | Q115 V116 L117 | Q115-F119 PolarHBondContact O-N 2.79Å; V116-F119 PolarHBondContact O-N 3.28Å; L117-F119 VanDerWaalsContact C-N 3.28Å; L117-F119 VanDerWaalsContact O-CD2 3.28Å; L117-F119 WeakPolarHBondContact O-CD2 3.49Å; L117-F119 WeakPolarHBondContact O-CE2 3.44Å |
| 120 | T | 95.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | trans | -94.7 | 165.6 | -176.7 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | Q115 D118 Q124 T304 | Q115-T120 WeakPolarHBondContact CA-OG1 3.4Å; Q115-T120 PolarHBondContact NE2-O 3.23Å; Q115-T120 PolarHBondContact O-N 3.16Å; Q115-T120 VanDerWaalsContact O-N 3.09Å; Q115-T120 PolarHBondContact O-OG1 2.85Å; D118-T120 VanDerWaalsContact C-N 3.25Å; D118-T120 HydrophobicContact CB-CG2 3.73Å; D118-T120 PolarHBondContact O-N 2.9Å; T120-Q124 PolarHBondContact OG1-NE2 2.95Å; T120-Q124 VanDerWaalsContact OG1-NE2 3.1Å; T120-T304 HydrophobicContact CG2-CG2 3.76Å; T120-T304 WeakPolarHBondContact CG2-OG1 3.02Å; T120-T304 PolarHBondContact OG1-OG1 3.06Å | ||
| 121 | N | 94.7 | Very high | 95 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | trans | -59.4 | 124.7 | -178.4 | -177.6 | -3.6 | 0 | 0 | 0 | 110.9 | K123 Q124 | N121-K123 PolarHBondContact O-N 3.09Å; N121-K123 PolarHBondContact OD1-N 3.41Å; N121-Q124 WeakPolarHBondContact O-CB 3.5Å; N121-Q124 VanDerWaalsContact O-CG 3.28Å; N121-Q124 WeakPolarHBondContact O-CG 3.28Å; N121-Q124 PolarHBondContact O-N 3.25Å | ||
| 122 | P | 92.7 | Very high | 94.8 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.8 | 178.4 | 24.3 | -34.9 | 0 | 0 | 0 | 113.3 | Q124 L265 D266 | P122-Q124 PolarHBondContact O-N 3.37Å; P122-L265 WeakPolarHBondContact O-CB 3.02Å; P122-D266 PolarHBondContact O-N 2.79Å |
| 123 | K | 92.7 | Very high | 94.5 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 20.7 | 178.3 | -58.9 | -164 | 171.2 | -176.4 | 0 | 113.9 | N121 D266 | N121-K123 PolarHBondContact O-N 3.09Å; N121-K123 PolarHBondContact OD1-N 3.41Å; K123-D266 HydrophobicContact CG-CB 4.41Å; K123-D266 WeakPolarHBondContact CG-OD2 3.39Å |
| 124 | Q | 94 | Very high | 94 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 152.1 | -179.6 | 64.4 | 173.5 | -45.3 | 0 | 0 | 112.1 | T120 N121 P122 T264 L265 S302 S303 T304 | T120-Q124 PolarHBondContact OG1-NE2 2.95Å; T120-Q124 VanDerWaalsContact OG1-NE2 3.1Å; N121-Q124 WeakPolarHBondContact O-CB 3.5Å; N121-Q124 VanDerWaalsContact O-CG 3.28Å; N121-Q124 WeakPolarHBondContact O-CG 3.28Å; N121-Q124 PolarHBondContact O-N 3.25Å; P122-Q124 PolarHBondContact O-N 3.37Å; Q124-T264 CarbonylContact O-C 3.59Å; Q124-T264 VanDerWaalsContact O-CA 3.28Å; Q124-T264 WeakPolarHBondContact O-CA 3.44Å; Q124-L265 VanDerWaalsContact CD-CD1 3.49Å; Q124-L265 HydrophobicContact CG-CB 4.1Å; Q124-L265 HydrophobicContact CG-CD1 3.37Å; Q124-L265 HydrophobicContact CG-CG 3.82Å; Q124-L265 PolarHBondContact O-N 3.35Å; Q124-S302 VanDerWaalsContact OE1-CB 3.25Å; Q124-S302 PolarHBondContact OE1-OG 3.24Å; Q124-S303 VanDerWaalsContact OE1-N 3.07Å; Q124-T304 PolarHBondContact NE2-OG1 2.89Å; Q124-T304 VanDerWaalsContact OE1-N 3.15Å; Q124-T304 PolarHBondContact OE1-OG1 3.31Å |
| 125 | G | 95.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 140.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S302 S303 | G125-S302 CarbonylContact O-C 3.58Å; G125-S302 WeakPolarHBondContact O-CA 3.15Å; G125-S303 PolarHBondContact N-OG 3.41Å; G125-S303 VanDerWaalsContact N-OG 3.09Å; G125-S303 PolarHBondContact O-N 3.28Å; G125-S303 PolarHBondContact O-OG 3.44Å; G125-S303 VanDerWaalsContact O-OG 3.04Å |
| 126 | V | 96.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.2 | 167.9 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | L111 K261 I262 A263 L265 I272 L300 R301 | L111-V126 HydrophobicContact CD1-CG1 4.45Å; V126-K261 CarbonylContact O-C 3.52Å; V126-K261 WeakPolarHBondContact O-CA 3.28Å; V126-I262 HydrophobicContact CB-CG1 4.27Å; V126-I262 HydrophobicContact CG1-CD1 4.15Å; V126-I262 HydrophobicContact CG1-CG1 4.01Å; V126-I262 PolarHBondContact O-N 3.02Å; V126-A263 HydrophobicContact CB-CB 4.25Å; V126-A263 HydrophobicContact CG2-CB 4.47Å; V126-A263 PolarHBondContact N-O 3.02Å; V126-L265 HydrophobicContact CG2-CB 4.38Å; V126-L265 HydrophobicContact CG2-CD2 3.39Å; V126-L265 HydrophobicContact CG2-CG 3.65Å; V126-I272 HydrophobicContact CG1-CG2 4.48Å; V126-L300 HydrophobicContact CG1-CD1 3.71Å; V126-L300 HydrophobicContact CG1-CG 4.13Å; V126-R301 CarbonylContact C-O 3.53Å; V126-R301 WeakPolarHBondContact CA-O 3.41Å |
| 127 | Y | 97.2 | Very high | 91.7 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.5 | -178.7 | -61.3 | -94.6 | 0 | 0 | 0 | 110.4 | T260 K261 R301 S303 | Y127-T260 CarbonylContact C-O 3.53Å; Y127-T260 VanDerWaalsContact CA-O 3.26Å; Y127-T260 WeakPolarHBondContact CA-O 3.35Å; Y127-K261 HydrophobicContact CD1-CB 3.89Å; Y127-K261 HydrophobicContact CE1-CB 3.72Å; Y127-K261 HydrophobicContact CE1-CG 4.24Å; Y127-R301 VanDerWaalsContact CB-CZ 3.48Å; Y127-R301 PolarHBondContact N-O 3.43Å; Y127-R301 PolarHBondContact O-N 3.35Å; Y127-S303 WeakPolarHBondContact CE2-OG 3.38Å |
| 128 | L | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.4 | 169.4 | -177.1 | 68.1 | 0 | 0 | 0 | 108.2 | L130 S259 T260 I262 L276 V279 I280 L300 L310 | L128-L130 HydrophobicContact CD1-CD2 3.84Å; L128-L130 HydrophobicContact CD2-CD1 4.06Å; L128-L130 HydrophobicContact CD2-CD2 4.04Å; L128-L130 HydrophobicContact CD2-CG 4.07Å; L128-L130 HydrophobicContact CG-CD1 4.49Å; L128-L130 HydrophobicContact CG-CD2 3.79Å; L128-L130 HydrophobicContact CG-CG 3.94Å; L128-S259 WeakPolarHBondContact O-CA 3.48Å; L128-T260 PolarHBondContact N-O 3.39Å; L128-T260 PolarHBondContact O-N 3.17Å; L128-I262 HydrophobicContact CB-CD1 4.36Å; L128-I262 HydrophobicContact CB-CG2 3.63Å; L128-I262 HydrophobicContact CD2-CG2 4.33Å; L128-L276 HydrophobicContact CD1-CD1 4.15Å; L128-L276 HydrophobicContact CD1-CG 4.24Å; L128-L276 HydrophobicContact CD2-CG 4.34Å; L128-V279 HydrophobicContact CD2-CB 4.27Å; L128-V279 HydrophobicContact CD2-CG1 3.84Å; L128-I280 HydrophobicContact CD2-CG1 4.17Å; L128-L300 HydrophobicContact CD1-CD1 4.4Å; L128-L310 HydrophobicContact CD1-CD1 4.4Å |
| 129 | D | 95.7 | Very high | 89.9 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108.6 | -179.9 | -73.1 | -12.2 | 0 | 0 | 0 | 108.2 | F257 L258 S259 F299 R301 | D129-F257 HydrophobicContact CB-CE2 3.78Å; D129-F257 HydrophobicContact CB-CZ 3.54Å; D129-L258 CarbonylContact C-O 3.54Å; D129-L258 WeakPolarHBondContact CA-O 3.14Å; D129-S259 VanDerWaalsContact OD1-CB 3.3Å; D129-S259 WeakPolarHBondContact OD1-CB 3.37Å; D129-S259 PolarHBondContact OD1-OG 3.09Å; D129-F299 HydrophobicContact CB-CB 4.01Å; D129-F299 PolarHBondContact N-O 3Å; D129-F299 PolarHBondContact O-N 3.08Å; D129-R301 IonicContact OD1-CZ 3.59Å; D129-R301 IonicContact OD1-NE 3.89Å; D129-R301 IonicContact OD1-NH2 3.7Å; D129-R301 PolarHBondContact OD1-NH2 2.91Å; D129-R301 WeakPolarHBondContact OD2-CD 3.5Å; D129-R301 IonicContact OD2-CZ 3.14Å; D129-R301 IonicContact OD2-NE 2.62Å; D129-R301 PolarHBondContact OD2-NE 3Å; D129-R301 IonicContact OD2-NH2 2.83Å |
| 130 | L | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.6 | -178.6 | -56.5 | -177.7 | 0 | 0 | 0 | 110.8 | L128 L132 F257 L258 I280 V283 V295 R297 A298 | L128-L130 HydrophobicContact CD1-CD2 3.84Å; L128-L130 HydrophobicContact CD2-CD1 4.06Å; L128-L130 HydrophobicContact CD2-CD2 4.04Å; L128-L130 HydrophobicContact CD2-CG 4.07Å; L128-L130 HydrophobicContact CG-CD1 4.49Å; L128-L130 HydrophobicContact CG-CD2 3.79Å; L128-L130 HydrophobicContact CG-CG 3.94Å; L130-L132 HydrophobicContact CB-CD2 4.07Å; L130-F257 WeakPolarHBondContact O-CA 3.43Å; L130-F257 WeakPolarHBondContact O-CD2 3.42Å; L130-L258 HydrophobicContact CB-CB 4.28Å; L130-L258 HydrophobicContact CB-CD2 4.38Å; L130-L258 HydrophobicContact CD1-CD2 4.18Å; L130-L258 HydrophobicContact CG-CD2 4.26Å; L130-L258 PolarHBondContact N-O 2.93Å; L130-L258 PolarHBondContact O-N 2.95Å; L130-I280 HydrophobicContact CD1-CG1 4.4Å; L130-V283 HydrophobicContact CD1-CG1 4.41Å; L130-V283 HydrophobicContact CD1-CG2 4.37Å; L130-V295 HydrophobicContact CD2-CG1 4.05Å; L130-R297 WeakPolarHBondContact CA-O 3.5Å; L130-A298 HydrophobicContact CD2-CB 3.47Å; L130-A298 VanDerWaalsContact CD2-CB 3.47Å |
| 131 | T | 92.8 | Very high | 88.7 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.202 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.7 | 165.9 | -51.6 | 0 | 0 | 0 | 0 | 108.2 | V296 R297 | T131-V296 PolarHBondContact O-N 2.61Å; T131-R297 PolarHBondContact N-O 3.18Å; T131-R297 PolarHBondContact O-N 3.4Å |
| 132 | L | 91.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.1 | -172.8 | -54.8 | 178.2 | 0 | 0 | 0 | 111.5 | L130 M134 F145 V250 N256 L258 V283 F294 V295 | L130-L132 HydrophobicContact CB-CD2 4.07Å; L132-M134 HydrophobicContact CB-SD 4.1Å; L132-M134 HydrophobicContact CD1-SD 4.5Å; L132-M134 PolarHBondContact O-N 3.1Å; L132-F145 HydrophobicContact CD1-CZ 4.35Å; L132-V250 HydrophobicContact CD1-CG1 4.31Å; L132-V250 HydrophobicContact CD1-CG2 3.64Å; L132-N256 PolarHBondContact N-O 3.3Å; L132-N256 WeakPolarHBondContact O-CB 3.19Å; L132-L258 HydrophobicContact CD1-CB 4.4Å; L132-L258 HydrophobicContact CD1-CD1 4.11Å; L132-V283 HydrophobicContact CD1-CG1 3.96Å; L132-V283 HydrophobicContact CD2-CG1 3.68Å; L132-F294 WeakPolarHBondContact CA-O 3.26Å; L132-F294 HydrophobicContact CB-CE2 3.94Å; L132-F294 HydrophobicContact CB-CZ 4.02Å; L132-F294 HydrophobicContact CD1-CE1 4.09Å; L132-F294 HydrophobicContact CD1-CZ 3.76Å; L132-F294 HydrophobicContact CD2-CD1 4.44Å; L132-F294 HydrophobicContact CD2-CE1 4.19Å; L132-F294 HydrophobicContact CD2-CZ 4.31Å; L132-F294 HydrophobicContact CG-CZ 4.24Å; L132-V295 HydrophobicContact CD2-CB 4.49Å; L132-V295 HydrophobicContact CD2-CG2 3.94Å |
| 133 | D | 88.4 | Confident | 87.9 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | trans | -89.7 | 100.4 | 168 | -173.1 | 9.8 | 0 | 0 | 0 | 109.8 | A135 F294 V296 | D133-A135 PolarHBondContact O-N 3.01Å; D133-A135 WeakPolarHBondContact OD1-CB 2.93Å; D133-A135 PolarHBondContact OD1-N 3.24Å; D133-F294 PolarHBondContact N-O 3.16Å; D133-F294 VanDerWaalsContact O-CD2 3.26Å; D133-F294 WeakPolarHBondContact O-CD2 3.31Å; D133-F294 WeakPolarHBondContact O-CE2 3.45Å; D133-V296 HydrophobicContact CB-CG2 3.63Å | ||
| 134 | M | 86.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | trans | -79.2 | 1 | 178.7 | -56.2 | -62.4 | -98.1 | 0 | 0 | 112.3 | L132 L136 T141 V142 E143 F145 V250 N256 F294 | L132-M134 HydrophobicContact CB-SD 4.1Å; L132-M134 HydrophobicContact CD1-SD 4.5Å; L132-M134 PolarHBondContact O-N 3.1Å; M134-L136 PolarHBondContact O-N 3.4Å; M134-T141 HydrophobicContact CB-CG2 3.81Å; M134-T141 CarbonylContact O-C 3.56Å; M134-T141 WeakPolarHBondContact O-CA 3.46Å; M134-T141 VanDerWaalsContact O-CG2 3.28Å; M134-T141 WeakPolarHBondContact O-CG2 3.39Å; M134-V142 HydrophobicContact CB-CB 4.32Å; M134-V142 HydrophobicContact CE-CB 4.27Å; M134-V142 HydrophobicContact CE-CG1 4.04Å; M134-V142 PolarHBondContact O-N 3.36Å; M134-V142 HydrophobicContact SD-CB 4.26Å; M134-V142 HydrophobicContact SD-CG1 4.34Å; M134-E143 WeakPolarHBondContact CE-O 3.4Å; M134-F145 HydrophobicContact CE-CD1 4.26Å; M134-F145 HydrophobicContact CE-CE1 4.2Å; M134-V250 HydrophobicContact CE-CG1 4.1Å; M134-N256 HydrophobicContact CG-CB 3.64Å; M134-N256 WeakPolarHBondContact CG-ND2 3.48Å; M134-F294 HydrophobicContact SD-CE2 3.65Å; M134-F294 HydrophobicContact SD-CZ 3.78Å | ||
| 135 | A | 83.7 | Confident | 87.3 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -70.7 | 121.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D133 R287 | D133-A135 PolarHBondContact O-N 3.01Å; D133-A135 WeakPolarHBondContact OD1-CB 2.93Å; D133-A135 PolarHBondContact OD1-N 3.24Å; A135-R287 PolarHBondContact O-NE 3.42Å; A135-R287 PolarHBondContact O-NH2 2.95Å |
| 136 | L | 77.6 | Confident | 87 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -97.8 | -9.6 | 168.7 | -160.3 | 78.4 | 0 | 0 | 0 | 111 | M134 K140 V142 R287 L291 | M134-L136 PolarHBondContact O-N 3.4Å; L136-K140 WeakPolarHBondContact CA-O 3.48Å; L136-K140 HydrophobicContact CB-CB 4.14Å; L136-K140 VanDerWaalsContact CB-O 3.31Å; L136-K140 WeakPolarHBondContact CB-O 3.45Å; L136-K140 HydrophobicContact CD2-CB 4.17Å; L136-K140 PolarHBondContact N-O 3.28Å; L136-V142 HydrophobicContact CB-CG2 4.4Å; L136-V142 HydrophobicContact CD1-CG2 4.16Å; L136-R287 HydrophobicContact CD1-CG 4.33Å; L136-L291 HydrophobicContact CB-CD2 4.21Å; L136-L291 HydrophobicContact CD1-CD1 3.92Å; L136-L291 HydrophobicContact CD1-CD2 3.44Å; L136-L291 VanDerWaalsContact CD1-CD2 3.44Å; L136-L291 HydrophobicContact CD1-CG 4.22Å; L136-L291 HydrophobicContact CG-CD2 3.51Å; L136-L291 WeakPolarHBondContact O-CD2 3.5Å |
| 137 | G | 74.5 | Confident | 86.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 155.9 | -174.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K139 K140 | G137-K139 PolarHBondContact O-N 2.81Å; G137-K140 PolarHBondContact N-O 3.04Å |
| 138 | K | 73.5 | Confident | 86.5 | Confident | 222 Ų | 222 | 59.7 Ų | 59.7 | 97% | 0.965 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -59.5 | -23.7 | -172.4 | -63.7 | -177.9 | -179.5 | 179.8 | 0 | 115.2 | ||
| 139 | K | 78.2 | Confident | 86.3 | Confident | 203 Ų | 203 | 60.4 Ų | 60.4 | 88% | 0.883 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -129.1 | -9 | -174.3 | -65.4 | -172.7 | 178.4 | -177.4 | 0 | 114.8 | G137 | G137-K139 PolarHBondContact O-N 2.81Š|
| 140 | K | 82.2 | Confident | 86.2 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | trans | -119.3 | 130 | -176.4 | -65.8 | -172.6 | 180 | -177.3 | 0 | 108.5 | L136 G137 | L136-K140 WeakPolarHBondContact CA-O 3.48Å; L136-K140 HydrophobicContact CB-CB 4.14Å; L136-K140 VanDerWaalsContact CB-O 3.31Å; L136-K140 WeakPolarHBondContact CB-O 3.45Å; L136-K140 HydrophobicContact CD2-CB 4.17Å; L136-K140 PolarHBondContact N-O 3.28Å; G137-K140 PolarHBondContact N-O 3.04Å | ||
| 141 | T | 83.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | B | Isolated β-bridge | trans | -119 | 141.2 | 177.2 | -51.1 | 0 | 0 | 0 | 0 | 107.3 | M134 E143 | M134-T141 HydrophobicContact CB-CG2 3.81Å; M134-T141 CarbonylContact O-C 3.56Å; M134-T141 WeakPolarHBondContact O-CA 3.46Å; M134-T141 VanDerWaalsContact O-CG2 3.28Å; M134-T141 WeakPolarHBondContact O-CG2 3.39Å; T141-E143 PolarHBondContact O-N 3.09Å |
| 142 | V | 83.2 | Confident | 86.2 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65 | 126.2 | 169.4 | 180 | 0 | 0 | 0 | 0 | 107.5 | M134 L136 F145 R287 | M134-V142 HydrophobicContact CB-CB 4.32Å; M134-V142 HydrophobicContact CE-CB 4.27Å; M134-V142 HydrophobicContact CE-CG1 4.04Å; M134-V142 PolarHBondContact O-N 3.36Å; M134-V142 HydrophobicContact SD-CB 4.26Å; M134-V142 HydrophobicContact SD-CG1 4.34Å; L136-V142 HydrophobicContact CB-CG2 4.4Å; L136-V142 HydrophobicContact CD1-CG2 4.16Å; V142-F145 HydrophobicContact CG1-CD1 4.34Å; V142-R287 HydrophobicContact CG2-CG 4.19Å |
| 143 | E | 86.1 | Confident | 86.4 | Confident | 163 Ų | 163 | 67.6 Ų | 67.6 | 76% | 0.762 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -65 | 150.6 | 175.7 | -77.6 | -173.5 | -171.2 | 0 | 0 | 111.2 | M134 T141 F145 | M134-E143 WeakPolarHBondContact CE-O 3.4Å; T141-E143 PolarHBondContact O-N 3.09Å; E143-F145 PolarHBondContact O-N 3Å; E143-F145 VanDerWaalsContact O-N 3.16Å |
| 144 | P | 86.3 | Confident | 86.7 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 122.7 | -178.8 | 29.9 | -38.6 | 0 | 0 | 0 | 111.2 | E252 | P144-E252 VanDerWaalsContact CB-CD 3.43Å; P144-E252 HydrophobicContact CB-CG 3.38Å; P144-E252 WeakPolarHBondContact CB-OE1 3.17Å; P144-E252 WeakPolarHBondContact CD-OE1 3.45Å; P144-E252 HydrophobicContact CG-CG 3.85Å; P144-E252 WeakPolarHBondContact CG-OE1 3.39Å |
| 145 | F | 88.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 9% | 0.092 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 138 | 173.7 | 95 | -84.1 | 0 | 0 | 0 | 118.9 | L132 M134 V142 E143 V250 V283 H286 F294 | L132-F145 HydrophobicContact CD1-CZ 4.35Å; M134-F145 HydrophobicContact CE-CD1 4.26Å; M134-F145 HydrophobicContact CE-CE1 4.2Å; V142-F145 HydrophobicContact CG1-CD1 4.34Å; E143-F145 PolarHBondContact O-N 3Å; E143-F145 VanDerWaalsContact O-N 3.16Å; F145-V250 HydrophobicContact CD1-CG2 4.5Å; F145-V250 HydrophobicContact CD2-CG2 4.45Å; F145-V250 HydrophobicContact CE1-CG2 4.15Å; F145-V250 HydrophobicContact CE2-CG2 4.08Å; F145-V250 HydrophobicContact CZ-CG2 3.92Å; F145-V250 PolarHBondContact O-N 3.46Å; F145-V283 HydrophobicContact CZ-CG1 4.28Å; F145-H286 HydrophobicContact CD1-CB 3.54Å; F145-H286 AromaticContact CD1-CG 3.66Å; F145-H286 HydrophobicContact CD2-CB 4.15Å; F145-H286 AromaticContact CD2-CD2 3.18Å; F145-H286 WeakPolarHBondContact CD2-CD2 3.43Å; F145-H286 AromaticContact CD2-CE1 3.55Å; F145-H286 AromaticContact CD2-CG 3.39Å; F145-H286 AromaticContact CD2-ND1 3.62Å; F145-H286 AromaticContact CD2-NE2 3.27Å; F145-H286 VanDerWaalsContact CD2-NE2 3.27Å; F145-H286 WeakPolarHBondContact CD2-NE2 3.41Å; F145-H286 HydrophobicContact CE1-CB 3.36Å; F145-H286 AromaticContact CE1-CG 3.74Å; F145-H286 HydrophobicContact CE2-CB 4.03Å; F145-H286 AromaticContact CE2-CD2 3.04Å; F145-H286 WeakPolarHBondContact CE2-CD2 3.13Å; F145-H286 AromaticContact CE2-CG 3.51Å; F145-H286 AromaticContact CE2-NE2 3.54Å; F145-H286 HydrophobicContact CG-CB 3.92Å; F145-H286 AromaticContact CG-CD2 3.8Å; F145-H286 AromaticContact CG-CE1 3.85Å; F145-H286 AromaticContact CG-CG 3.47Å; F145-H286 VanDerWaalsContact CG-CG 3.47Å; F145-H286 AromaticContact CG-ND1 3.52Å; F145-H286 HydrophobicContact CZ-CB 3.63Å; F145-H286 AromaticContact CZ-CD2 3.53Å; F145-H286 AromaticContact CZ-CG 3.68Å; F145-F294 HydrophobicContact CE1-CE1 4.07Å; F145-F294 AromaticContact CE1-CZ 3.72Å; F145-F294 HydrophobicContact CE1-CZ 3.72Å; F145-F294 AromaticContact CZ-CE1 3.93Å; F145-F294 HydrophobicContact CZ-CE1 3.93Å; F145-F294 AromaticContact CZ-CZ 3.99Å; F145-F294 HydrophobicContact CZ-CZ 3.99Å |
| 146 | A | 88.4 | Confident | 87 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 13% | 0.132 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 124.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R228 I248 M249 | A146-R228 VanDerWaalsContact O-CG 3.27Å; A146-R228 WeakPolarHBondContact O-CG 3.46Å; A146-R228 PolarHBondContact O-NE 2.68Å; A146-I248 CarbonylContact C-O 3.4Å; A146-I248 VanDerWaalsContact CA-O 3.24Å; A146-I248 WeakPolarHBondContact CA-O 3.4Å; A146-M249 HydrophobicContact CB-CB 4.29Å; A146-M249 HydrophobicContact CB-CG 4.2Å |
| 147 | S | 90.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 161.4 | -176.5 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | I248 H286 | S147-I248 PolarHBondContact N-O 3.06Å; S147-I248 PolarHBondContact O-N 2.91Å; S147-H286 VanDerWaalsContact CB-NE2 3.3Å; S147-H286 WeakPolarHBondContact CB-NE2 3.28Å; S147-H286 PolarHBondContact OG-NE2 2.88Å |
| 148 | V | 92.7 | Very high | 87.8 | Confident | 28 Ų | 28 | 80.5 Ų | 80.5 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.7 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | F201 R228 F242 A245 H246 | V148-F201 HydrophobicContact CG1-CE1 4.41Å; V148-F201 HydrophobicContact CG2-CE1 4.17Å; V148-R228 HydrophobicContact CG2-CB 4.25Å; V148-R228 HydrophobicContact CG2-CG 4.41Å; V148-F242 HydrophobicContact CB-CE1 4.3Å; V148-F242 HydrophobicContact CG1-CD1 4.25Å; V148-F242 HydrophobicContact CG1-CE1 3.91Å; V148-F242 HydrophobicContact CG2-CE1 4.1Å; V148-A245 HydrophobicContact CG1-CB 3.32Å; V148-H246 WeakPolarHBondContact CA-O 3.47Å |
| 149 | I | 93.2 | Very high | 88.6 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.6 | -176.2 | -50.6 | 177.3 | 0 | 0 | 0 | 109.4 | H246 I248 E282 | I149-H246 PolarHBondContact N-O 3.32Å; I149-H246 PolarHBondContact O-N 2.73Å; I149-I248 HydrophobicContact CB-CD1 4.44Å; I149-I248 HydrophobicContact CD1-CD1 3.04Å; I149-I248 HydrophobicContact CG1-CD1 3.73Å; I149-E282 HydrophobicContact CD1-CB 3.11Å; I149-E282 HydrophobicContact CD1-CG 3.41Å; I149-E282 VanDerWaalsContact CD1-CG 3.41Å; I149-E282 HydrophobicContact CG1-CB 3.76Å; I149-E282 HydrophobicContact CG1-CG 3.48Å; I149-E282 VanDerWaalsContact CG1-CG 3.48Å |
| 150 | A | 92.9 | Very high | 89.3 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | trans | -83.5 | 113.4 | 161 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 151 | L | 94.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | trans | -71.2 | 139.5 | 177.6 | -66.7 | 175.8 | 0 | 0 | 0 | 110.3 | H153 F155 H246 N275 V279 | L151-H153 PolarHBondContact O-N 3.12Å; L151-F155 HydrophobicContact CD1-CD1 4.04Å; L151-F155 HydrophobicContact CD1-CE1 3.59Å; L151-H246 HydrophobicContact CD1-CB 3.95Å; L151-H246 HydrophobicContact CG-CB 3.97Å; L151-N275 HydrophobicContact CD2-CB 4.5Å; L151-V279 HydrophobicContact CD2-CG2 3.78Å | ||
| 152 | P | 94.8 | Very high | 90.5 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -57.2 | -35.6 | 176.8 | -25.6 | 33.4 | 0 | 0 | 0 | 113.6 | N275 A278 | P152-N275 WeakPolarHBondContact CD-OD1 3.27Å; P152-A278 HydrophobicContact CG-CB 3.93Å |
| 153 | H | 95.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -124.9 | 118.5 | 179 | -54 | -66.3 | 0 | 0 | 0 | 110.3 | L151 M267 Q271 N275 | L151-H153 PolarHBondContact O-N 3.12Å; H153-M267 HydrophobicContact CB-CE 3.74Å; H153-Q271 HydrophobicContact CB-CB 4.04Å; H153-Q271 HydrophobicContact CB-CG 4.24Å; H153-N275 PolarHBondContact N-OD1 2.97Å; H153-N275 PolarHBondContact O-ND2 3Å; H153-N275 PolarHBondContact O-OD1 3.41Å |
| 154 | L | 93.8 | Very high | 91.6 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | trans | -75.3 | 134.5 | 177.6 | -56.8 | 177.8 | 0 | 0 | 0 | 110.1 | T244 | L154-T244 HydrophobicContact CD1-CG2 3.95Š| ||
| 155 | F | 91.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | trans | -109.7 | -10.8 | 176.5 | 64.4 | -102.2 | 0 | 0 | 0 | 113.1 | L151 K261 I262 T264 M267 | L151-F155 HydrophobicContact CD1-CD1 4.04Å; L151-F155 HydrophobicContact CD1-CE1 3.59Å; F155-K261 HydrophobicContact CD2-CD 4.32Å; F155-K261 WeakPolarHBondContact CE1-O 3.32Å; F155-K261 HydrophobicContact CE2-CD 3.6Å; F155-K261 HydrophobicContact CE2-CG 3.99Å; F155-K261 HydrophobicContact CZ-CB 4.31Å; F155-K261 HydrophobicContact CZ-CD 4.01Å; F155-K261 HydrophobicContact CZ-CG 3.94Å; F155-K261 WeakPolarHBondContact CZ-O 3.06Å; F155-I262 WeakPolarHBondContact CD1-O 3.42Å; F155-T264 HydrophobicContact CB-CG2 4.33Å; F155-T264 HydrophobicContact CD2-CG2 4.27Å; F155-M267 HydrophobicContact CB-CE 4.36Å; F155-M267 HydrophobicContact CB-SD 3.43Å; F155-M267 WeakPolarHBondContact CB-SD 3.46Å | ||
| 156 | S | 86 | Confident | 92.5 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | trans | -115.3 | 136.9 | 176 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | E158 | S156-E158 VanDerWaalsContact C-N 3.31Å; S156-E158 PolarHBondContact OG-N 3.06Å | ||
| 157 | S | 82 | Confident | 92.7 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 88% | 0.881 | 29% | 0.293 | S | S | * | . | trans | -85.8 | -9.8 | 170 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | V159 | S157-V159 PolarHBondContact O-N 3.39Š| ||
| 158 | E | 85.9 | Confident | 92.8 | Very high | 163 Ų | 163 | 53.4 Ų | 53.4 | 76% | 0.762 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 121.6 | 177.8 | -64.3 | 177.8 | -176.3 | 0 | 0 | 109.6 | S156 | S156-E158 VanDerWaalsContact C-N 3.31Å; S156-E158 PolarHBondContact OG-N 3.06Å |
| 159 | V | 90.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 131.2 | 174.5 | -167.3 | 0 | 0 | 0 | 0 | 108.1 | S157 K243 | S157-V159 PolarHBondContact O-N 3.39Å; V159-K243 HydrophobicContact CG1-CB 3.7Å; V159-K243 HydrophobicContact CG1-CD 4.31Å; V159-K243 HydrophobicContact CG1-CG 3.85Å |
| 160 | N | 93.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 140.1 | 178.9 | -59.1 | -39.4 | 0 | 0 | 0 | 110.6 | V162 D200 F201 F242 K243 A245 | N160-V162 PolarHBondContact O-N 3.38Å; N160-D200 HydrophobicContact CB-CB 4.36Å; N160-F201 HydrophobicContact CB-CD2 3.76Å; N160-F201 HydrophobicContact CB-CE2 3.96Å; N160-F201 VanDerWaalsContact ND2-CE2 3.27Å; N160-F201 WeakPolarHBondContact ND2-CE2 3.34Å; N160-F242 WeakPolarHBondContact CB-O 3.26Å; N160-F242 PolarHBondContact ND2-O 3.29Å; N160-K243 PolarHBondContact N-O 2.98Å; N160-K243 PolarHBondContact ND2-O 2.93Å; N160-A245 PolarHBondContact ND2-O 3.24Å |
| 161 | K | 94.5 | Very high | 92.9 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 53% | 0.53 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 123.3 | 170.8 | -65 | 178.7 | -177 | 177 | 0 | 108.4 | A181 V199 D200 F201 | K161-A181 HydrophobicContact CB-CB 4.19Å; K161-V199 HydrophobicContact CB-CG1 4.19Å; K161-V199 WeakPolarHBondContact O-CG1 3.24Å; K161-D200 PolarHBondContact N-OD2 3.07Å; K161-D200 PolarHBondContact O-N 3.37Å; K161-D200 VanDerWaalsContact O-N 3.12Å; K161-F201 PolarHBondContact O-N 3.3Å; K161-F201 VanDerWaalsContact O-N 3.12Å |
| 162 | V | 95.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.9 | -180 | -170 | 0 | 0 | 0 | 0 | 109.9 | N160 A181 F201 V203 L239 F242 K243 | N160-V162 PolarHBondContact O-N 3.38Å; V162-A181 PolarHBondContact O-N 2.79Å; V162-F201 WeakPolarHBondContact CA-O 3.27Å; V162-F201 HydrophobicContact CG1-CB 4.38Å; V162-F201 HydrophobicContact CG2-CB 4.33Å; V162-V203 HydrophobicContact CG1-CB 4.43Å; V162-V203 HydrophobicContact CG1-CG2 3.68Å; V162-L239 HydrophobicContact CB-CD2 4Å; V162-L239 HydrophobicContact CG1-CD2 3.78Å; V162-F242 HydrophobicContact CG1-CB 4.08Å; V162-F242 HydrophobicContact CG2-CB 3.8Å; V162-K243 HydrophobicContact CG2-CG 4.37Å |
| 163 | A | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F182 L188 V199 F201 Y202 V203 | A163-F182 CarbonylContact C-O 3.44Å; A163-F182 VanDerWaalsContact CA-O 3.28Å; A163-F182 WeakPolarHBondContact CA-O 3.44Å; A163-F182 HydrophobicContact CB-CB 4.33Å; A163-L188 HydrophobicContact CB-CD2 4.36Å; A163-V199 HydrophobicContact CB-CB 4.29Å; A163-V199 HydrophobicContact CB-CG1 3.77Å; A163-V199 HydrophobicContact CB-CG2 3.99Å; A163-F201 PolarHBondContact N-O 3.37Å; A163-Y202 HydrophobicContact CB-CD1 4.04Å; A163-Y202 HydrophobicContact CB-CE1 4.35Å; A163-V203 PolarHBondContact O-N 3Å |
| 164 | V | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.9 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | T166 A175 A180 F182 A183 G184 V203 I235 L239 | V164-T166 HydrophobicContact CG1-CG2 3.83Å; V164-A175 HydrophobicContact CB-CB 3.96Å; V164-A175 HydrophobicContact CG1-CB 3.97Å; V164-A175 HydrophobicContact CG2-CB 4.05Å; V164-A180 HydrophobicContact CG2-CB 3.85Å; V164-F182 PolarHBondContact N-O 3.48Å; V164-A183 HydrophobicContact CB-CB 4.48Å; V164-A183 WeakPolarHBondContact O-CA 3.42Å; V164-G184 PolarHBondContact O-N 2.77Å; V164-G184 VanDerWaalsContact O-N 3.08Å; V164-V203 CarbonylContact C-O 3.56Å; V164-V203 WeakPolarHBondContact CA-O 3.3Å; V164-V203 HydrophobicContact CG2-CB 4.39Å; V164-I235 HydrophobicContact CG1-CD1 4.42Å; V164-I235 HydrophobicContact CG1-CG1 4.47Å; V164-I235 HydrophobicContact CG1-CG2 4.03Å; V164-I235 HydrophobicContact CG2-CG2 4.39Å; V164-L239 HydrophobicContact CG2-CD1 4.26Å; V164-L239 HydrophobicContact CG2-CD2 3.58Å; V164-L239 HydrophobicContact CG2-CG 4.12Å |
| 165 | F | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.3 | 175.1 | -62.8 | -70.4 | 0 | 0 | 0 | 111 | G184 L188 V189 I192 Y202 V203 A204 V205 I208 L212 L215 P224 | F165-G184 WeakPolarHBondContact CA-O 3.28Å; F165-L188 HydrophobicContact CD1-CD2 4.01Å; F165-L188 HydrophobicContact CD1-CG 4.46Å; F165-L188 HydrophobicContact CE1-CB 4.36Å; F165-L188 HydrophobicContact CE1-CD2 3.86Å; F165-L188 HydrophobicContact CE1-CG 3.97Å; F165-V189 HydrophobicContact CD1-CG2 4.36Å; F165-V189 HydrophobicContact CE1-CG2 4.1Å; F165-I192 HydrophobicContact CE1-CD1 3.69Å; F165-I192 HydrophobicContact CZ-CD1 3.41Å; F165-I192 VanDerWaalsContact CZ-CD1 3.41Å; F165-Y202 AromaticContact CE2-CD1 3.57Å; F165-Y202 HydrophobicContact CE2-CD1 3.57Å; F165-Y202 HydrophobicContact CE2-CG 4.16Å; F165-Y202 AromaticContact CZ-CD1 3.86Å; F165-Y202 HydrophobicContact CZ-CD1 3.86Å; F165-Y202 HydrophobicContact CZ-CE1 4.4Å; F165-V203 PolarHBondContact N-O 3.22Å; F165-A204 HydrophobicContact CB-CB 4.1Å; F165-A204 HydrophobicContact CD2-CB 4.38Å; F165-V205 PolarHBondContact O-N 2.94Å; F165-I208 HydrophobicContact CB-CG2 3.84Å; F165-I208 VanDerWaalsContact O-CG2 3.3Å; F165-I208 WeakPolarHBondContact O-CG2 3.46Å; F165-L212 HydrophobicContact CB-CD1 3.89Å; F165-L212 HydrophobicContact CB-CD2 3.96Å; F165-L212 HydrophobicContact CB-CG 4.49Å; F165-L212 HydrophobicContact CD1-CD2 3.56Å; F165-L212 HydrophobicContact CD2-CD1 3.82Å; F165-L212 HydrophobicContact CD2-CD2 4.01Å; F165-L212 HydrophobicContact CE1-CD2 3.93Å; F165-L212 HydrophobicContact CE2-CD1 4.48Å; F165-L212 HydrophobicContact CE2-CD2 4.32Å; F165-L212 HydrophobicContact CG-CD1 3.93Å; F165-L212 HydrophobicContact CG-CD2 3.59Å; F165-L212 HydrophobicContact CG-CG 4.42Å; F165-L212 HydrophobicContact CZ-CD2 4.27Å; F165-L215 HydrophobicContact CE1-CD1 4.07Å; F165-L215 HydrophobicContact CE2-CD1 4.41Å; F165-L215 HydrophobicContact CZ-CD1 3.67Å; F165-P224 HydrophobicContact CD2-CG 4.5Å |
| 166 | T | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -145.8 | 143.1 | -179.8 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | V164 E171 I172 G184 G185 V205 I235 | V164-T166 HydrophobicContact CG1-CG2 3.83Å; T166-E171 HydrophobicContact CG2-CB 3.84Å; T166-E171 VanDerWaalsContact CG2-OE2 3.28Å; T166-E171 WeakPolarHBondContact CG2-OE2 3.37Å; T166-I172 WeakPolarHBondContact OG1-CG1 3.34Å; T166-G184 PolarHBondContact N-O 2.86Å; T166-G184 CarbonylContact O-C 3.5Å; T166-G185 WeakPolarHBondContact O-CA 3.23Å; T166-G185 PolarHBondContact O-N 3.49Å; T166-V205 HydrophobicContact CG2-CB 4.18Å; T166-V205 HydrophobicContact CG2-CG2 3.54Å; T166-I235 HydrophobicContact CG2-CD1 3.63Å | ||
| 167 | A | 93 | Very high | 93.6 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -86.8 | -26.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 168 | N | 93.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | trans | -83.8 | 122.6 | -174.3 | -62.8 | -36.2 | 0 | 0 | 0 | 111.3 | S170 E171 I172 E207 | N168-S170 VanDerWaalsContact C-N 3.26Å; N168-S170 PolarHBondContact O-N 3.42Å; N168-E171 HydrophobicContact CB-CB 4.16Å; N168-E171 HydrophobicContact CB-CG 4.02Å; N168-E171 PolarHBondContact ND2-OE1 3.42Å; N168-E171 VanDerWaalsContact ND2-OE1 3.07Å; N168-E171 WeakPolarHBondContact O-CB 3.38Å; N168-E171 PolarHBondContact O-N 2.94Å; N168-E171 VanDerWaalsContact O-N 3.13Å; N168-I172 WeakPolarHBondContact O-CG1 3.23Å; N168-I172 PolarHBondContact O-N 3.37Å; N168-E207 PolarHBondContact ND2-OE2 3Å | ||
| 169 | A | 92.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.8 | -30.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I172 K173 | A169-I172 PolarHBondContact O-N 3.24Å; A169-K173 PolarHBondContact O-N 2.85Å |
| 170 | S | 94.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | N168 I172 K173 I174 | N168-S170 VanDerWaalsContact C-N 3.26Å; N168-S170 PolarHBondContact O-N 3.42Å; S170-I172 VanDerWaalsContact C-N 3.35Å; S170-K173 PolarHBondContact O-N 3.47Å; S170-I174 WeakPolarHBondContact O-CG1 3.14Å; S170-I174 PolarHBondContact O-N 2.98Å |
| 171 | E | 94.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -31.9 | 177.9 | -74.3 | 173.4 | -165.2 | 0 | 0 | 112.4 | T166 N168 I174 A175 I235 | T166-E171 HydrophobicContact CG2-CB 3.84Å; T166-E171 VanDerWaalsContact CG2-OE2 3.28Å; T166-E171 WeakPolarHBondContact CG2-OE2 3.37Å; N168-E171 HydrophobicContact CB-CB 4.16Å; N168-E171 HydrophobicContact CB-CG 4.02Å; N168-E171 PolarHBondContact ND2-OE1 3.42Å; N168-E171 VanDerWaalsContact ND2-OE1 3.07Å; N168-E171 WeakPolarHBondContact O-CB 3.38Å; N168-E171 PolarHBondContact O-N 2.94Å; N168-E171 VanDerWaalsContact O-N 3.13Å; E171-I174 PolarHBondContact O-N 2.57Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.87Å; E171-I235 HydrophobicContact CB-CD1 3.53Å; E171-I235 HydrophobicContact CG-CD1 3.83Å |
| 172 | I | 94.5 | Very high | 94.8 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.185 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 172.7 | -64.7 | 173.7 | 0 | 0 | 0 | 110.1 | T166 N168 A169 S170 I174 A175 E176 A183 | T166-I172 WeakPolarHBondContact OG1-CG1 3.34Å; N168-I172 WeakPolarHBondContact O-CG1 3.23Å; N168-I172 PolarHBondContact O-N 3.37Å; A169-I172 PolarHBondContact O-N 3.24Å; S170-I172 VanDerWaalsContact C-N 3.35Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 2.77Å; I172-A175 WeakPolarHBondContact O-CB 3.24Å; I172-A175 PolarHBondContact O-N 2.82Å; I172-A175 VanDerWaalsContact O-N 3.13Å; I172-E176 WeakPolarHBondContact O-CG 3.28Å; I172-E176 PolarHBondContact O-N 3.26Å; I172-A183 HydrophobicContact CG2-CB 3.87Å |
| 173 | K | 95.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 51.5 Ų | 51.5 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 177.8 | -65.6 | -179.8 | -178.7 | -176.8 | 0 | 111.9 | A169 S170 A175 E176 E177 | A169-K173 PolarHBondContact O-N 2.85Å; S170-K173 PolarHBondContact O-N 3.47Å; K173-A175 VanDerWaalsContact C-N 3.3Å; K173-A175 PolarHBondContact O-N 3.46Å; K173-E176 PolarHBondContact O-N 2.76Å; K173-E177 WeakPolarHBondContact O-CB 3.47Å; K173-E177 VanDerWaalsContact O-CG 3.29Å; K173-E177 WeakPolarHBondContact O-CG 3.49Å; K173-E177 PolarHBondContact O-N 3.34Å |
| 174 | I | 95.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 52 Ų | 52 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.9 | -65.3 | 167.1 | 0 | 0 | 0 | 110.5 | S170 E171 I172 N178 P236 | S170-I174 WeakPolarHBondContact O-CG1 3.14Å; S170-I174 PolarHBondContact O-N 2.98Å; E171-I174 PolarHBondContact O-N 2.57Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 2.77Å; I174-N178 WeakPolarHBondContact O-CB 3.34Å; I174-N178 PolarHBondContact O-N 3.16Å; I174-N178 PolarHBondContact O-ND2 2.94Å; I174-P236 HydrophobicContact CG2-CG 3.81Å |
| 175 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V164 E171 I172 K173 N178 G179 A180 A183 I235 L239 | V164-A175 HydrophobicContact CB-CB 3.96Å; V164-A175 HydrophobicContact CG1-CB 3.97Å; V164-A175 HydrophobicContact CG2-CB 4.05Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 2.87Å; I172-A175 WeakPolarHBondContact O-CB 3.24Å; I172-A175 PolarHBondContact O-N 2.82Å; I172-A175 VanDerWaalsContact O-N 3.13Å; K173-A175 VanDerWaalsContact C-N 3.3Å; K173-A175 PolarHBondContact O-N 3.46Å; A175-N178 CarbonylContact O-C 3.6Å; A175-N178 PolarHBondContact O-N 3.4Å; A175-G179 PolarHBondContact O-N 3.16Å; A175-A180 HydrophobicContact CB-CB 4.02Å; A175-A180 WeakPolarHBondContact O-CB 3.4Å; A175-A180 PolarHBondContact O-N 3.22Å; A175-A183 HydrophobicContact CB-CB 3.77Å; A175-I235 HydrophobicContact CB-CG2 3.93Å; A175-L239 HydrophobicContact CB-CD1 4.41Å |
| 176 | E | 94.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 55.6 Ų | 55.6 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 177.9 | -70.5 | 176.1 | 170.5 | 0 | 0 | 112.1 | I172 K173 N178 G179 A183 | I172-E176 WeakPolarHBondContact O-CG 3.28Å; I172-E176 PolarHBondContact O-N 3.26Å; K173-E176 PolarHBondContact O-N 2.76Å; E176-N178 PolarHBondContact O-N 2.99Å; E176-G179 PolarHBondContact O-N 3.29Å; E176-A183 HydrophobicContact CG-CB 4.09Å |
| 177 | E | 95.4 | Very high | 94.3 | Very high | 156 Ų | 156 | 60.7 Ų | 60.7 | 73% | 0.729 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.8 | -37 | 175.2 | -74.2 | 171 | -173 | 0 | 0 | 111.9 | K173 G179 | K173-E177 WeakPolarHBondContact O-CB 3.47Å; K173-E177 VanDerWaalsContact O-CG 3.29Å; K173-E177 WeakPolarHBondContact O-CG 3.49Å; K173-E177 PolarHBondContact O-N 3.34Å; E177-G179 PolarHBondContact O-N 3.41Å |
| 178 | N | 94.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 11.7 | 175.5 | -74.6 | -74.7 | 0 | 0 | 0 | 113 | I174 A175 E176 L239 K243 | I174-N178 WeakPolarHBondContact O-CB 3.34Å; I174-N178 PolarHBondContact O-N 3.16Å; I174-N178 PolarHBondContact O-ND2 2.94Å; A175-N178 CarbonylContact O-C 3.6Å; A175-N178 PolarHBondContact O-N 3.4Å; E176-N178 PolarHBondContact O-N 2.99Å; N178-L239 HydrophobicContact CB-CD1 3.58Å; N178-K243 VanDerWaalsContact O-CE 3.23Å; N178-K243 WeakPolarHBondContact O-CE 3.27Å; N178-K243 PolarHBondContact O-NZ 3.32Å |
| 179 | G | 92.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 33.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A175 E176 E177 | A175-G179 PolarHBondContact O-N 3.16Å; E176-G179 PolarHBondContact O-N 3.29Å; E177-G179 PolarHBondContact O-N 3.41Å |
| 180 | A | 94.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 12% | 0.116 | 32% | 0.323 | C | S | . | . | trans | -61.7 | 137.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V164 A175 F182 L239 | V164-A180 HydrophobicContact CG2-CB 3.85Å; A175-A180 HydrophobicContact CB-CB 4.02Å; A175-A180 WeakPolarHBondContact O-CB 3.4Å; A175-A180 PolarHBondContact O-N 3.22Å; A180-F182 VanDerWaalsContact C-N 3.31Å; A180-L239 HydrophobicContact CB-CD1 4.15Å; A180-L239 HydrophobicContact CB-CD2 4.02Å | ||
| 181 | A | 94.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 59 Ų | 59 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -68.3 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K161 V162 | K161-A181 HydrophobicContact CB-CB 4.19Å; V162-A181 PolarHBondContact O-N 2.79Å |
| 182 | F | 95.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.1 | 175.9 | -57 | -79.9 | 0 | 0 | 0 | 109.3 | A163 V164 A180 L188 V197 V199 | A163-F182 CarbonylContact C-O 3.44Å; A163-F182 VanDerWaalsContact CA-O 3.28Å; A163-F182 WeakPolarHBondContact CA-O 3.44Å; A163-F182 HydrophobicContact CB-CB 4.33Å; V164-F182 PolarHBondContact N-O 3.48Å; A180-F182 VanDerWaalsContact C-N 3.31Å; F182-L188 HydrophobicContact CB-CD1 3.8Å; F182-L188 HydrophobicContact CB-CD2 4.14Å; F182-L188 HydrophobicContact CG-CD1 4.38Å; F182-V197 HydrophobicContact CD1-CG1 4.26Å; F182-V197 HydrophobicContact CD1-CG2 4.38Å; F182-V197 HydrophobicContact CD2-CG1 3.48Å; F182-V197 VanDerWaalsContact CD2-CG1 3.48Å; F182-V197 HydrophobicContact CE1-CG1 4.31Å; F182-V197 HydrophobicContact CE1-CG2 4.16Å; F182-V197 HydrophobicContact CE2-CG1 3.54Å; F182-V197 HydrophobicContact CG-CG1 3.86Å; F182-V197 HydrophobicContact CZ-CG1 3.96Å; F182-V197 HydrophobicContact CZ-CG2 4.33Å; F182-V199 HydrophobicContact CD2-CG2 3.79Å; F182-V199 HydrophobicContact CE2-CG2 4.1Å |
| 183 | A | 95.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V164 I172 A175 E176 | V164-A183 HydrophobicContact CB-CB 4.48Å; V164-A183 WeakPolarHBondContact O-CA 3.42Å; I172-A183 HydrophobicContact CG2-CB 3.87Å; A175-A183 HydrophobicContact CB-CB 3.77Å; E176-A183 HydrophobicContact CG-CB 4.09Å |
| 184 | G | 94.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | 178 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V164 F165 T166 | V164-G184 PolarHBondContact O-N 2.77Å; V164-G184 VanDerWaalsContact O-N 3.08Å; F165-G184 WeakPolarHBondContact CA-O 3.28Å; T166-G184 PolarHBondContact N-O 2.86Å; T166-G184 CarbonylContact O-C 3.5Å |
| 185 | G | 93.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -104.8 | -126.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T166 D187 L188 V189 | T166-G185 WeakPolarHBondContact O-CA 3.23Å; T166-G185 PolarHBondContact O-N 3.49Å; G185-D187 PolarHBondContact O-N 3.17Å; G185-L188 PolarHBondContact O-N 3Å; G185-L188 VanDerWaalsContact O-N 3.09Å; G185-V189 PolarHBondContact O-N 3.21Å |
| 186 | T | 92.9 | Very high | 94 | Very high | 63 Ų | 63 | 67.1 Ų | 67.1 | 39% | 0.387 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55 | -31.3 | 178.7 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | V189 K190 E211 | T186-V189 WeakPolarHBondContact O-CB 3.42Å; T186-V189 PolarHBondContact O-N 3.3Å; T186-K190 WeakPolarHBondContact O-CG 3.3Å; T186-K190 PolarHBondContact O-N 3.21Å; T186-K190 VanDerWaalsContact O-N 3.13Å; T186-E211 HydrophobicContact CG2-CB 4.35Å; T186-E211 HydrophobicContact CG2-CG 4.32Å; T186-E211 WeakPolarHBondContact CG2-OE2 3.43Å |
| 187 | D | 93.4 | Very high | 93.9 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 177.8 | -64.4 | -32.7 | 0 | 0 | 0 | 111.9 | G185 V189 K190 K191 | G185-D187 PolarHBondContact O-N 3.17Å; D187-V189 VanDerWaalsContact C-N 3.32Å; D187-K190 PolarHBondContact O-N 3.28Å; D187-K191 WeakPolarHBondContact O-CG 3.32Å; D187-K191 PolarHBondContact O-N 2.83Å |
| 188 | L | 94.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 176.2 | -174.1 | 61.9 | 0 | 0 | 0 | 111 | A163 F165 F182 G185 K190 K191 I192 V197 | A163-L188 HydrophobicContact CB-CD2 4.36Å; F165-L188 HydrophobicContact CD1-CD2 4.01Å; F165-L188 HydrophobicContact CD1-CG 4.46Å; F165-L188 HydrophobicContact CE1-CB 4.36Å; F165-L188 HydrophobicContact CE1-CD2 3.86Å; F165-L188 HydrophobicContact CE1-CG 3.97Å; F182-L188 HydrophobicContact CB-CD1 3.8Å; F182-L188 HydrophobicContact CB-CD2 4.14Å; F182-L188 HydrophobicContact CG-CD1 4.38Å; G185-L188 PolarHBondContact O-N 3Å; G185-L188 VanDerWaalsContact O-N 3.09Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.23Å; L188-K191 PolarHBondContact O-N 2.9Å; L188-I192 HydrophobicContact CD1-CD1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.89Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.46Å; L188-I192 PolarHBondContact O-N 3.41Å; L188-V197 HydrophobicContact CD1-CG1 4.41Å |
| 189 | V | 94.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | F165 G185 T186 D187 I192 M193 L212 L215 | F165-V189 HydrophobicContact CD1-CG2 4.36Å; F165-V189 HydrophobicContact CE1-CG2 4.1Å; G185-V189 PolarHBondContact O-N 3.21Å; T186-V189 WeakPolarHBondContact O-CB 3.42Å; T186-V189 PolarHBondContact O-N 3.3Å; D187-V189 VanDerWaalsContact C-N 3.32Å; V189-I192 PolarHBondContact O-N 3.16Å; V189-M193 WeakPolarHBondContact O-CG 3.23Å; V189-M193 PolarHBondContact O-N 2.9Å; V189-L212 HydrophobicContact CG2-CD2 3.49Å; V189-L212 VanDerWaalsContact CG2-CD2 3.49Å; V189-L215 HydrophobicContact CB-CD1 4.28Å; V189-L215 HydrophobicContact CG1-CD1 4.04Å; V189-L215 HydrophobicContact CG1-CD2 4.21Å; V189-L215 HydrophobicContact CG1-CG 3.85Å; V189-L215 HydrophobicContact CG2-CD1 3.92Å |
| 190 | K | 94.6 | Very high | 93.6 | Very high | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 177.7 | -67.9 | 170.4 | -172.8 | 166 | 0 | 111.7 | T186 D187 L188 I192 M193 D194 | T186-K190 WeakPolarHBondContact O-CG 3.3Å; T186-K190 PolarHBondContact O-N 3.21Å; T186-K190 VanDerWaalsContact O-N 3.13Å; D187-K190 PolarHBondContact O-N 3.28Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.23Å; K190-I192 VanDerWaalsContact C-N 3.28Å; K190-I192 PolarHBondContact O-N 3.02Å; K190-M193 CarbonylContact O-C 3.55Å; K190-M193 WeakPolarHBondContact O-CA 3.4Å; K190-M193 WeakPolarHBondContact O-CB 3.4Å; K190-M193 PolarHBondContact O-N 2.82Å; K190-D194 PolarHBondContact O-N 2.9Å |
| 191 | K | 94.8 | Very high | 93.6 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 177.7 | -66.1 | 179.9 | 178.7 | 178.7 | 0 | 113.1 | D187 L188 D194 D195 E196 V197 | D187-K191 WeakPolarHBondContact O-CG 3.32Å; D187-K191 PolarHBondContact O-N 2.83Å; L188-K191 PolarHBondContact O-N 2.9Å; K191-D194 PolarHBondContact O-N 3.03Å; K191-D195 PolarHBondContact O-N 3.48Å; K191-E196 HydrophobicContact CB-CB 4.39Å; K191-E196 WeakPolarHBondContact CG-OE2 3.5Å; K191-E196 PolarHBondContact O-N 2.9Å; K191-V197 HydrophobicContact CB-CG2 3.94Å; K191-V197 HydrophobicContact CD-CG2 4.45Å |
| 192 | I | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.3 | -36.4 | 175.3 | -65.8 | 164.8 | 0 | 0 | 0 | 110.6 | F165 L188 V189 K190 D194 D195 V197 Y202 L215 K218 L219 | F165-I192 HydrophobicContact CE1-CD1 3.69Å; F165-I192 HydrophobicContact CZ-CD1 3.41Å; F165-I192 VanDerWaalsContact CZ-CD1 3.41Å; L188-I192 HydrophobicContact CD1-CD1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.89Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.46Å; L188-I192 PolarHBondContact O-N 3.41Å; V189-I192 PolarHBondContact O-N 3.16Å; K190-I192 VanDerWaalsContact C-N 3.28Å; K190-I192 PolarHBondContact O-N 3.02Å; I192-D194 VanDerWaalsContact C-N 3.25Å; I192-D194 PolarHBondContact O-N 3.24Å; I192-D195 PolarHBondContact O-N 3.14Å; I192-V197 HydrophobicContact CG1-CB 4.09Å; I192-V197 HydrophobicContact CG1-CG1 4.15Å; I192-Y202 HydrophobicContact CD1-CD1 4.43Å; I192-Y202 HydrophobicContact CD1-CE1 3.85Å; I192-L215 HydrophobicContact CB-CD2 4.12Å; I192-L215 HydrophobicContact CG2-CD2 3.74Å; I192-K218 VanDerWaalsContact O-CE 3.29Å; I192-K218 WeakPolarHBondContact O-CE 3.32Å; I192-K218 PolarHBondContact O-NZ 3.12Å; I192-L219 HydrophobicContact CG2-CD2 4.35Å |
| 193 | M | 92.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -30 | 173.2 | -74.1 | -163.1 | 74.6 | 0 | 0 | 113 | V189 K190 P214 L215 K218 | V189-M193 WeakPolarHBondContact O-CG 3.23Å; V189-M193 PolarHBondContact O-N 2.9Å; K190-M193 CarbonylContact O-C 3.55Å; K190-M193 WeakPolarHBondContact O-CA 3.4Å; K190-M193 WeakPolarHBondContact O-CB 3.4Å; K190-M193 PolarHBondContact O-N 2.82Å; M193-P214 HydrophobicContact CE-CB 4.29Å; M193-P214 HydrophobicContact SD-CB 3.74Å; M193-L215 HydrophobicContact CG-CD2 3.66Å; M193-K218 PolarHBondContact O-NZ 3.43Å |
| 194 | D | 93.7 | Very high | 93.7 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 58% | 0.583 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.7 | 177.8 | -62.1 | -30.2 | 0 | 0 | 0 | 113.6 | K190 K191 I192 E196 | K190-D194 PolarHBondContact O-N 2.9Å; K191-D194 PolarHBondContact O-N 3.03Å; I192-D194 VanDerWaalsContact C-N 3.25Å; I192-D194 PolarHBondContact O-N 3.24Å; D194-E196 HydrophobicContact CB-CG 4.14Å; D194-E196 PolarHBondContact O-N 3.17Å |
| 195 | D | 91.4 | Very high | 93.7 | Very high | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 20.1 | -177.8 | -67.4 | -54.6 | 0 | 0 | 0 | 114.5 | K191 I192 V197 K218 | K191-D195 PolarHBondContact O-N 3.48Å; I192-D195 PolarHBondContact O-N 3.14Å; D195-V197 VanDerWaalsContact C-N 3.27Å; D195-V197 PolarHBondContact O-N 2.71Å; D195-K218 WeakPolarHBondContact OD1-CE 3.43Å; D195-K218 IonicContact OD1-NZ 3.63Å; D195-K218 PolarHBondContact OD1-NZ 3.25Å; D195-K218 IonicContact OD2-NZ 3.38Å; D195-K218 PolarHBondContact OD2-NZ 2.69Å |
| 196 | E | 93 | Very high | 93.8 | Very high | 135 Ų | 135 | 54.2 Ų | 54.2 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | trans | -71 | -27.5 | 174.5 | -62.4 | -174.2 | 166.6 | 0 | 0 | 112.1 | K191 D194 | K191-E196 HydrophobicContact CB-CB 4.39Å; K191-E196 WeakPolarHBondContact CG-OE2 3.5Å; K191-E196 PolarHBondContact O-N 2.9Å; D194-E196 HydrophobicContact CB-CG 4.14Å; D194-E196 PolarHBondContact O-N 3.17Å | ||
| 197 | V | 92 | Very high | 93.8 | Very high | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | trans | -122.6 | 116.5 | -172.3 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | F182 L188 K191 I192 D195 V199 | F182-V197 HydrophobicContact CD1-CG1 4.26Å; F182-V197 HydrophobicContact CD1-CG2 4.38Å; F182-V197 HydrophobicContact CD2-CG1 3.48Å; F182-V197 VanDerWaalsContact CD2-CG1 3.48Å; F182-V197 HydrophobicContact CE1-CG1 4.31Å; F182-V197 HydrophobicContact CE1-CG2 4.16Å; F182-V197 HydrophobicContact CE2-CG1 3.54Å; F182-V197 HydrophobicContact CG-CG1 3.86Å; F182-V197 HydrophobicContact CZ-CG1 3.96Å; F182-V197 HydrophobicContact CZ-CG2 4.33Å; L188-V197 HydrophobicContact CD1-CG1 4.41Å; K191-V197 HydrophobicContact CB-CG2 3.94Å; K191-V197 HydrophobicContact CD-CG2 4.45Å; I192-V197 HydrophobicContact CG1-CB 4.09Å; I192-V197 HydrophobicContact CG1-CG1 4.15Å; D195-V197 VanDerWaalsContact C-N 3.27Å; D195-V197 PolarHBondContact O-N 2.71Å; V197-V199 HydrophobicContact CG1-CG2 3.49Å; V197-V199 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 198 | V | 89.5 | Confident | 93.9 | Very high | 106 Ų | 106 | 52 Ų | 52 | 64% | 0.642 | 26% | 0.263 | S | S | * | . | trans | -111.2 | 124.2 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 199 | V | 93.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -139.1 | 148.7 | -171.3 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | K161 A163 F182 V197 F201 Y202 | K161-V199 HydrophobicContact CB-CG1 4.19Å; K161-V199 WeakPolarHBondContact O-CG1 3.24Å; A163-V199 HydrophobicContact CB-CB 4.29Å; A163-V199 HydrophobicContact CB-CG1 3.77Å; A163-V199 HydrophobicContact CB-CG2 3.99Å; F182-V199 HydrophobicContact CD2-CG2 3.79Å; F182-V199 HydrophobicContact CE2-CG2 4.1Å; V197-V199 HydrophobicContact CG1-CG2 3.49Å; V197-V199 VanDerWaalsContact CG1-CG2 3.49Å; V199-F201 VanDerWaalsContact CG1-O 3.24Å; V199-F201 WeakPolarHBondContact CG1-O 3.45Å; V199-Y202 HydrophobicContact CB-CE1 4Å; V199-Y202 HydrophobicContact CG2-CE1 4.42Å | ||
| 200 | D | 93.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -81.8 | -50.5 | -178.8 | -54.3 | -49.8 | 0 | 0 | 0 | 110.8 | N160 K161 | N160-D200 HydrophobicContact CB-CB 4.36Å; K161-D200 PolarHBondContact N-OD2 3.07Å; K161-D200 PolarHBondContact O-N 3.37Å; K161-D200 VanDerWaalsContact O-N 3.12Å |
| 201 | F | 94.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.6 | -179 | -67.2 | -82.6 | 0 | 0 | 0 | 113.2 | V148 N160 K161 V162 A163 V199 F242 A245 E247 | V148-F201 HydrophobicContact CG1-CE1 4.41Å; V148-F201 HydrophobicContact CG2-CE1 4.17Å; N160-F201 HydrophobicContact CB-CD2 3.76Å; N160-F201 HydrophobicContact CB-CE2 3.96Å; N160-F201 VanDerWaalsContact ND2-CE2 3.27Å; N160-F201 WeakPolarHBondContact ND2-CE2 3.34Å; K161-F201 PolarHBondContact O-N 3.3Å; K161-F201 VanDerWaalsContact O-N 3.12Å; V162-F201 WeakPolarHBondContact CA-O 3.27Å; V162-F201 HydrophobicContact CG1-CB 4.38Å; V162-F201 HydrophobicContact CG2-CB 4.33Å; A163-F201 PolarHBondContact N-O 3.37Å; V199-F201 VanDerWaalsContact CG1-O 3.24Å; V199-F201 WeakPolarHBondContact CG1-O 3.45Å; F201-F242 HydrophobicContact CB-CB 4.37Å; F201-F242 HydrophobicContact CB-CD1 3.87Å; F201-F242 HydrophobicContact CB-CG 4.43Å; F201-F242 AromaticContact CD1-CD1 3.6Å; F201-F242 HydrophobicContact CD1-CD1 3.6Å; F201-F242 AromaticContact CD1-CE1 3.95Å; F201-F242 HydrophobicContact CD1-CE1 3.95Å; F201-F242 HydrophobicContact CE1-CD1 4.3Å; F201-F242 AromaticContact CG-CD1 3.78Å; F201-F242 HydrophobicContact CG-CD1 3.78Å; F201-A245 HydrophobicContact CE2-CB 4.43Å; F201-A245 HydrophobicContact CZ-CB 4.24Å; F201-E247 HydrophobicContact CE1-CB 3.98Å; F201-E247 HydrophobicContact CZ-CB 3.98Å |
| 202 | Y | 95 | Very high | 93.6 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.2 | 178.9 | -60.1 | -83.7 | 0 | 0 | 0 | 109.8 | A163 F165 I192 V199 L219 R222 S230 | A163-Y202 HydrophobicContact CB-CD1 4.04Å; A163-Y202 HydrophobicContact CB-CE1 4.35Å; F165-Y202 AromaticContact CE2-CD1 3.57Å; F165-Y202 HydrophobicContact CE2-CD1 3.57Å; F165-Y202 HydrophobicContact CE2-CG 4.16Å; F165-Y202 AromaticContact CZ-CD1 3.86Å; F165-Y202 HydrophobicContact CZ-CD1 3.86Å; F165-Y202 HydrophobicContact CZ-CE1 4.4Å; I192-Y202 HydrophobicContact CD1-CD1 4.43Å; I192-Y202 HydrophobicContact CD1-CE1 3.85Å; V199-Y202 HydrophobicContact CB-CE1 4Å; V199-Y202 HydrophobicContact CG2-CE1 4.42Å; Y202-L219 HydrophobicContact CD1-CD1 4.22Å; Y202-L219 HydrophobicContact CD2-CD1 3.94Å; Y202-L219 HydrophobicContact CD2-CD2 4.41Å; Y202-L219 HydrophobicContact CE1-CD1 4.21Å; Y202-L219 HydrophobicContact CE1-CD2 4.35Å; Y202-L219 HydrophobicContact CE2-CD1 3.96Å; Y202-L219 HydrophobicContact CE2-CD2 3.62Å; Y202-L219 HydrophobicContact CE2-CG 4.39Å; Y202-L219 HydrophobicContact CG-CD1 4.07Å; Y202-R222 HydrophobicContact CD2-CB 4.31Å; Y202-R222 WeakPolarHBondContact CD2-O 3.27Å; Y202-R222 HydrophobicContact CE2-CB 4.19Å; Y202-S230 WeakPolarHBondContact O-CB 3.04Å |
| 203 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.2 | 176 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | V162 A163 V164 F165 S230 M238 F242 | V162-V203 HydrophobicContact CG1-CB 4.43Å; V162-V203 HydrophobicContact CG1-CG2 3.68Å; A163-V203 PolarHBondContact O-N 3Å; V164-V203 CarbonylContact C-O 3.56Å; V164-V203 WeakPolarHBondContact CA-O 3.3Å; V164-V203 HydrophobicContact CG2-CB 4.39Å; F165-V203 PolarHBondContact N-O 3.22Å; V203-S230 WeakPolarHBondContact CA-O 3.18Å; V203-M238 HydrophobicContact CG1-CB 3.93Å; V203-M238 HydrophobicContact CG1-CE 3.51Å; V203-M238 HydrophobicContact CG1-CG 4.43Å; V203-M238 HydrophobicContact CG1-SD 3.66Å; V203-F242 HydrophobicContact CG2-CB 4.35Å; V203-F242 HydrophobicContact CG2-CD2 3.43Å; V203-F242 VanDerWaalsContact CG2-CD2 3.43Å; V203-F242 HydrophobicContact CG2-CE2 3.9Å; V203-F242 HydrophobicContact CG2-CG 3.9Å |
| 204 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | F165 M209 L212 P224 S230 I231 G232 | F165-A204 HydrophobicContact CB-CB 4.1Å; F165-A204 HydrophobicContact CD2-CB 4.38Å; A204-M209 HydrophobicContact CB-SD 3.89Å; A204-L212 HydrophobicContact CB-CD1 3.64Å; A204-P224 HydrophobicContact CB-CB 4.07Å; A204-P224 HydrophobicContact CB-CG 4.19Å; A204-S230 PolarHBondContact N-O 3.48Å; A204-I231 VanDerWaalsContact O-CA 3.27Å; A204-I231 WeakPolarHBondContact O-CA 3.4Å; A204-G232 PolarHBondContact O-N 2.96Å; A204-G232 VanDerWaalsContact O-N 3.17Å |
| 205 | V | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | trans | -81.2 | 141 | 165.5 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | F165 T166 E207 I208 I235 | F165-V205 PolarHBondContact O-N 2.94Å; T166-V205 HydrophobicContact CG2-CB 4.18Å; T166-V205 HydrophobicContact CG2-CG2 3.54Å; V205-E207 HydrophobicContact CG1-CB 4.27Å; V205-E207 HydrophobicContact CG1-CG 4.23Å; V205-E207 PolarHBondContact O-N 3.04Å; V205-I208 VanDerWaalsContact O-CG2 3.27Å; V205-I208 WeakPolarHBondContact O-CG2 3.3Å; V205-I208 PolarHBondContact O-N 3.33Å; V205-I235 HydrophobicContact CG2-CD1 4.05Å; V205-I235 HydrophobicContact CG2-CG1 4.09Å | ||
| 206 | P | 94.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 50 Ų | 50 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -53.6 | -30.3 | -176.5 | -28 | 33.3 | 0 | 0 | 0 | 114.8 | I208 M209 I231 G232 | P206-I208 PolarHBondContact O-N 3.47Å; P206-M209 WeakPolarHBondContact O-CB 3.36Å; P206-M209 WeakPolarHBondContact O-CG 3.43Å; P206-M209 PolarHBondContact O-N 3.2Å; P206-I231 HydrophobicContact CB-CG2 4.32Å; P206-I231 HydrophobicContact CG-CG2 3.79Å; P206-G232 WeakPolarHBondContact CD-O 3.32Å |
| 207 | E | 93.8 | Very high | 93.5 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -63.8 | -36.7 | -177 | -62.1 | 178.5 | 179.1 | 0 | 0 | 113 | N168 V205 | N168-E207 PolarHBondContact ND2-OE2 3Å; V205-E207 HydrophobicContact CG1-CB 4.27Å; V205-E207 HydrophobicContact CG1-CG 4.23Å; V205-E207 PolarHBondContact O-N 3.04Å |
| 208 | I | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -87.1 | -6.6 | -177.2 | -167.6 | 158.4 | 0 | 0 | 0 | 113.5 | F165 V205 P206 G210 E211 L212 | F165-I208 HydrophobicContact CB-CG2 3.84Å; F165-I208 VanDerWaalsContact O-CG2 3.3Å; F165-I208 WeakPolarHBondContact O-CG2 3.46Å; V205-I208 VanDerWaalsContact O-CG2 3.27Å; V205-I208 WeakPolarHBondContact O-CG2 3.3Å; V205-I208 PolarHBondContact O-N 3.33Å; P206-I208 PolarHBondContact O-N 3.47Å; I208-G210 PolarHBondContact O-N 2.96Å; I208-E211 WeakPolarHBondContact CD1-OE2 3.46Å; I208-E211 HydrophobicContact CG1-CB 3.99Å; I208-E211 HydrophobicContact CG1-CG 4.32Å; I208-E211 WeakPolarHBondContact CG1-OE2 3Å; I208-E211 WeakPolarHBondContact O-CB 3.49Å; I208-E211 PolarHBondContact O-N 3.3Å; I208-L212 HydrophobicContact CG1-CD2 4.45Å; I208-L212 HydrophobicContact CG1-CG 4.46Å; I208-L212 HydrophobicContact CG2-CD1 4.22Å; I208-L212 HydrophobicContact CG2-CG 4.46Å; I208-L212 PolarHBondContact O-N 3.42Å |
| 209 | M | 92.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -55.3 | -30.3 | -174.7 | -73.7 | -66.3 | -62.2 | 0 | 0 | 113.6 | A204 P206 E211 L212 F223 I231 | A204-M209 HydrophobicContact CB-SD 3.89Å; P206-M209 WeakPolarHBondContact O-CB 3.36Å; P206-M209 WeakPolarHBondContact O-CG 3.43Å; P206-M209 PolarHBondContact O-N 3.2Å; M209-E211 VanDerWaalsContact C-N 3.32Å; M209-E211 PolarHBondContact O-N 3.26Å; M209-L212 PolarHBondContact O-N 3.41Å; M209-L212 HydrophobicContact SD-CD1 4.03Å; M209-F223 HydrophobicContact CE-CE1 3.73Å; M209-F223 HydrophobicContact CE-CZ 3.85Å; M209-I231 HydrophobicContact CE-CD1 3.51Å; M209-I231 HydrophobicContact CE-CG1 4.44Å; M209-I231 HydrophobicContact CG-CG2 4.49Å; M209-I231 HydrophobicContact SD-CD1 3.71Å; M209-I231 HydrophobicContact SD-CG1 4.04Å |
| 210 | G | 93 | Very high | 93.4 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -63.1 | -35.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | I208 N213 | I208-G210 PolarHBondContact O-N 2.96Å; G210-N213 PolarHBondContact O-ND2 3.28Å |
| 211 | E | 92.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24 | 179.3 | -56.9 | -176.2 | 166.9 | 0 | 0 | 112.3 | T186 I208 M209 N213 P214 | T186-E211 HydrophobicContact CG2-CB 4.35Å; T186-E211 HydrophobicContact CG2-CG 4.32Å; T186-E211 WeakPolarHBondContact CG2-OE2 3.43Å; I208-E211 WeakPolarHBondContact CD1-OE2 3.46Å; I208-E211 HydrophobicContact CG1-CB 3.99Å; I208-E211 HydrophobicContact CG1-CG 4.32Å; I208-E211 WeakPolarHBondContact CG1-OE2 3Å; I208-E211 WeakPolarHBondContact O-CB 3.49Å; I208-E211 PolarHBondContact O-N 3.3Å; M209-E211 VanDerWaalsContact C-N 3.32Å; M209-E211 PolarHBondContact O-N 3.26Å; E211-N213 PolarHBondContact O-N 2.9Å; E211-P214 WeakPolarHBondContact O-CD 3.03Å |
| 212 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.7 | 179.5 | -57 | -177.1 | 0 | 0 | 0 | 113.7 | F165 V189 A204 I208 M209 L215 F223 | F165-L212 HydrophobicContact CB-CD1 3.89Å; F165-L212 HydrophobicContact CB-CD2 3.96Å; F165-L212 HydrophobicContact CB-CG 4.49Å; F165-L212 HydrophobicContact CD1-CD2 3.56Å; F165-L212 HydrophobicContact CD2-CD1 3.82Å; F165-L212 HydrophobicContact CD2-CD2 4.01Å; F165-L212 HydrophobicContact CE1-CD2 3.93Å; F165-L212 HydrophobicContact CE2-CD1 4.48Å; F165-L212 HydrophobicContact CE2-CD2 4.32Å; F165-L212 HydrophobicContact CG-CD1 3.93Å; F165-L212 HydrophobicContact CG-CD2 3.59Å; F165-L212 HydrophobicContact CG-CG 4.42Å; F165-L212 HydrophobicContact CZ-CD2 4.27Å; V189-L212 HydrophobicContact CG2-CD2 3.49Å; V189-L212 VanDerWaalsContact CG2-CD2 3.49Å; A204-L212 HydrophobicContact CB-CD1 3.64Å; I208-L212 HydrophobicContact CG1-CD2 4.45Å; I208-L212 HydrophobicContact CG1-CG 4.46Å; I208-L212 HydrophobicContact CG2-CD1 4.22Å; I208-L212 HydrophobicContact CG2-CG 4.46Å; I208-L212 PolarHBondContact O-N 3.42Å; M209-L212 PolarHBondContact O-N 3.41Å; M209-L212 HydrophobicContact SD-CD1 4.03Å; L212-L215 HydrophobicContact CD2-CD1 4.16Å; L212-L215 WeakPolarHBondContact O-CB 3.29Å; L212-L215 PolarHBondContact O-N 3.45Å; L212-F223 HydrophobicContact CB-CE2 3.99Å; L212-F223 HydrophobicContact CB-CZ 4.18Å; L212-F223 WeakPolarHBondContact O-CE2 3.38Å |
| 213 | N | 93.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -41.4 | -178.8 | -79.2 | -32.6 | 0 | 0 | 0 | 115.1 | G210 E211 L215 R216 | G210-N213 PolarHBondContact O-ND2 3.28Å; E211-N213 PolarHBondContact O-N 2.9Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.49Å; N213-R216 VanDerWaalsContact O-CB 3.28Å; N213-R216 WeakPolarHBondContact O-CB 3.35Å; N213-R216 PolarHBondContact O-N 3.24Å |
| 214 | P | 92.2 | Very high | 92.7 | Very high | 67 Ų | 67 | 66 Ų | 66 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.4 | 176.4 | -24 | 36 | 0 | 0 | 0 | 113.4 | M193 E211 R216 | M193-P214 HydrophobicContact CE-CB 4.29Å; M193-P214 HydrophobicContact SD-CB 3.74Å; E211-P214 WeakPolarHBondContact O-CD 3.03Å; P214-R216 PolarHBondContact O-N 3.38Å |
| 215 | L | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.7 | -18.5 | -179.9 | -66.8 | 176.7 | 0 | 0 | 0 | 113.3 | F165 V189 I192 M193 L212 N213 K217 K218 L219 F223 | F165-L215 HydrophobicContact CE1-CD1 4.07Å; F165-L215 HydrophobicContact CE2-CD1 4.41Å; F165-L215 HydrophobicContact CZ-CD1 3.67Å; V189-L215 HydrophobicContact CB-CD1 4.28Å; V189-L215 HydrophobicContact CG1-CD1 4.04Å; V189-L215 HydrophobicContact CG1-CD2 4.21Å; V189-L215 HydrophobicContact CG1-CG 3.85Å; V189-L215 HydrophobicContact CG2-CD1 3.92Å; I192-L215 HydrophobicContact CB-CD2 4.12Å; I192-L215 HydrophobicContact CG2-CD2 3.74Å; M193-L215 HydrophobicContact CG-CD2 3.66Å; L212-L215 HydrophobicContact CD2-CD1 4.16Å; L212-L215 WeakPolarHBondContact O-CB 3.29Å; L212-L215 PolarHBondContact O-N 3.45Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.49Å; L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 3.29Å; L215-K218 PolarHBondContact O-N 3.42Å; L215-L219 HydrophobicContact CB-CD1 4.1Å; L215-L219 HydrophobicContact CB-CG 4.31Å; L215-L219 HydrophobicContact CD1-CD1 4.42Å; L215-L219 PolarHBondContact O-N 2.9Å; L215-F223 HydrophobicContact CB-CE2 4.49Å |
| 216 | R | 92.5 | Very high | 92.2 | Very high | 166 Ų | 166 | 73.6 Ų | 73.6 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | -177.6 | -172 | 173.8 | 179 | 156.3 | -0.4 | 112.6 | N213 P214 K220 F223 | N213-R216 VanDerWaalsContact O-CB 3.28Å; N213-R216 WeakPolarHBondContact O-CB 3.35Å; N213-R216 PolarHBondContact O-N 3.24Å; P214-R216 PolarHBondContact O-N 3.38Å; R216-K220 WeakPolarHBondContact O-CA 3.32Å; R216-K220 PolarHBondContact O-N 3.48Å; R216-F223 HydrophobicContact CB-CD2 4.3Å; R216-F223 HydrophobicContact CB-CE2 4.33Å |
| 217 | K | 91.4 | Very high | 91.9 | Very high | 185 Ų | 185 | 75.9 Ų | 75.9 | 80% | 0.804 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.8 | -33.6 | 177.6 | -70.3 | -176 | -179.6 | 178.2 | 0 | 112.6 | L215 K220 | L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 3.29Å; K217-K220 VanDerWaalsContact O-CG 3.23Å; K217-K220 WeakPolarHBondContact O-CG 3.49Å |
| 218 | K | 92.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 71 Ų | 71 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.2 | -54.1 | -177.4 | -171.9 | 168.5 | -168.8 | 169.6 | 0 | 111.8 | I192 M193 D195 L215 | I192-K218 VanDerWaalsContact O-CE 3.29Å; I192-K218 WeakPolarHBondContact O-CE 3.32Å; I192-K218 PolarHBondContact O-NZ 3.12Å; M193-K218 PolarHBondContact O-NZ 3.43Å; D195-K218 WeakPolarHBondContact OD1-CE 3.43Å; D195-K218 IonicContact OD1-NZ 3.63Å; D195-K218 PolarHBondContact OD1-NZ 3.25Å; D195-K218 IonicContact OD2-NZ 3.38Å; D195-K218 PolarHBondContact OD2-NZ 2.69Å; L215-K218 PolarHBondContact O-N 3.42Å |
| 219 | L | 91.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74.6 | -27 | -177 | -62.4 | -177.9 | 0 | 0 | 0 | 112.7 | I192 Y202 L215 K221 R222 F223 | I192-L219 HydrophobicContact CG2-CD2 4.35Å; Y202-L219 HydrophobicContact CD1-CD1 4.22Å; Y202-L219 HydrophobicContact CD2-CD1 3.94Å; Y202-L219 HydrophobicContact CD2-CD2 4.41Å; Y202-L219 HydrophobicContact CE1-CD1 4.21Å; Y202-L219 HydrophobicContact CE1-CD2 4.35Å; Y202-L219 HydrophobicContact CE2-CD1 3.96Å; Y202-L219 HydrophobicContact CE2-CD2 3.62Å; Y202-L219 HydrophobicContact CE2-CG 4.39Å; Y202-L219 HydrophobicContact CG-CD1 4.07Å; L215-L219 HydrophobicContact CB-CD1 4.1Å; L215-L219 HydrophobicContact CB-CG 4.31Å; L215-L219 HydrophobicContact CD1-CD1 4.42Å; L215-L219 PolarHBondContact O-N 2.9Å; L219-K221 PolarHBondContact O-N 2.74Å; L219-R222 HydrophobicContact CB-CB 4.28Å; L219-R222 PolarHBondContact O-N 2.84Å; L219-F223 HydrophobicContact CB-CB 4.17Å; L219-F223 HydrophobicContact CD1-CD2 4.48Å |
| 220 | K | 89.9 | Confident | 91.5 | Very high | 159 Ų | 159 | 74.6 Ų | 74.6 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 47.5 | -102.5 | -179.4 | -59.6 | -178.7 | -178.3 | 176.7 | 0 | 112.1 | R216 K217 R222 F223 | R216-K220 WeakPolarHBondContact O-CA 3.32Å; R216-K220 PolarHBondContact O-N 3.48Å; K217-K220 VanDerWaalsContact O-CG 3.23Å; K217-K220 WeakPolarHBondContact O-CG 3.49Å; K220-R222 VanDerWaalsContact C-N 3.34Å; K220-F223 PolarHBondContact O-N 3.25Å |
| 221 | K | 86.8 | Confident | 91.6 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 47% | 0.47 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -69.6 | -29.4 | 179.9 | -57 | -165.9 | -174.2 | -177.4 | 0 | 111.8 | L219 F223 R228 M249 D251 | L219-K221 PolarHBondContact O-N 2.74Å; K221-F223 VanDerWaalsContact C-N 3.31Å; K221-F223 PolarHBondContact O-N 3.18Å; K221-R228 PolarHBondContact O-NH1 2.56Å; K221-R228 PolarHBondContact O-NH2 2.7Å; K221-M249 HydrophobicContact CB-SD 4.35Å; K221-M249 HydrophobicContact CD-CE 4.22Å; K221-M249 HydrophobicContact CD-SD 3.23Å; K221-M249 WeakPolarHBondContact CD-SD 3.4Å; K221-M249 HydrophobicContact CG-SD 4.4Å; K221-D251 IonicContact NZ-OD1 2.71Å |
| 222 | R | 89.6 | Confident | 91.7 | Very high | 124 Ų | 124 | 70.8 Ų | 70.8 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -81.5 | -3.5 | 179.8 | -62.7 | -172.6 | 177.4 | -169.1 | -0.5 | 114.5 | Y202 L219 K220 | Y202-R222 HydrophobicContact CD2-CB 4.31Å; Y202-R222 WeakPolarHBondContact CD2-O 3.27Å; Y202-R222 HydrophobicContact CE2-CB 4.19Å; L219-R222 HydrophobicContact CB-CB 4.28Å; L219-R222 PolarHBondContact O-N 2.84Å; K220-R222 VanDerWaalsContact C-N 3.34Å |
| 223 | F | 92.8 | Very high | 91.6 | Very high | 18 Ų | 18 | 80 Ų | 80 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -62.1 | 141 | -179.1 | -175.6 | -100 | 0 | 0 | 0 | 110.9 | M209 L212 L215 R216 L219 K220 K221 K225 | M209-F223 HydrophobicContact CE-CE1 3.73Å; M209-F223 HydrophobicContact CE-CZ 3.85Å; L212-F223 HydrophobicContact CB-CE2 3.99Å; L212-F223 HydrophobicContact CB-CZ 4.18Å; L212-F223 WeakPolarHBondContact O-CE2 3.38Å; L215-F223 HydrophobicContact CB-CE2 4.49Å; R216-F223 HydrophobicContact CB-CD2 4.3Å; R216-F223 HydrophobicContact CB-CE2 4.33Å; L219-F223 HydrophobicContact CB-CB 4.17Å; L219-F223 HydrophobicContact CD1-CD2 4.48Å; K220-F223 PolarHBondContact O-N 3.25Å; K221-F223 VanDerWaalsContact C-N 3.31Å; K221-F223 PolarHBondContact O-N 3.18Å; F223-K225 PolarHBondContact O-N 3.28Å |
| 224 | P | 93.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.013 | 39% | 0.385 | C | S | . | . | trans | -53.1 | 130.8 | 175.6 | -27.2 | 33.9 | 0 | 0 | 0 | 112.6 | F165 A204 S230 I231 | F165-P224 HydrophobicContact CD2-CG 4.5Å; A204-P224 HydrophobicContact CB-CB 4.07Å; A204-P224 HydrophobicContact CB-CG 4.19Å; P224-S230 WeakPolarHBondContact CA-OG 3.49Å; P224-I231 HydrophobicContact CB-CG1 4.05Å | ||
| 225 | K | 92.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 77.6 Ų | 77.6 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | trans | -134.6 | 140.8 | 179.3 | -71.9 | -176.5 | -179.5 | -173.5 | 0 | 110.8 | F223 T227 R228 S230 | F223-K225 PolarHBondContact O-N 3.28Å; K225-T227 PolarHBondContact O-N 3.1Å; K225-R228 HydrophobicContact CB-CG 4.34Å; K225-R228 PolarHBondContact O-N 2.83Å; K225-R228 VanDerWaalsContact O-N 3.09Å; K225-S230 PolarHBondContact N-OG 2.82Å; K225-S230 PolarHBondContact O-N 3.43Å; K225-S230 PolarHBondContact O-OG 2.89Å | ||
| 226 | A | 90 | Very high | 91.9 | Very high | 68 Ų | 68 | 79.8 Ų | 79.8 | 56% | 0.562 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -61.1 | -34.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R228 N229 I231 | A226-R228 PolarHBondContact O-N 2.71Å; A226-R228 VanDerWaalsContact O-N 3.17Å; A226-N229 PolarHBondContact O-N 3.26Å; A226-I231 HydrophobicContact CB-CD1 4.43Å |
| 227 | T | 86.9 | Confident | 92 | Very high | 109 Ų | 109 | 78.1 Ų | 78.1 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -63.1 | -21 | 177.1 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | K225 | K225-T227 PolarHBondContact O-N 3.1Š|
| 228 | R | 89 | Confident | 92.1 | Very high | 17 Ų | 17 | 70 Ų | 70 | 6% | 0.064 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -97.5 | 3.6 | 176.6 | -65.4 | -177.2 | -177.2 | -172 | 1.4 | 112.7 | A146 V148 K221 K225 A226 S230 E247 | A146-R228 VanDerWaalsContact O-CG 3.27Å; A146-R228 WeakPolarHBondContact O-CG 3.46Å; A146-R228 PolarHBondContact O-NE 2.68Å; V148-R228 HydrophobicContact CG2-CB 4.25Å; V148-R228 HydrophobicContact CG2-CG 4.41Å; K221-R228 PolarHBondContact O-NH1 2.56Å; K221-R228 PolarHBondContact O-NH2 2.7Å; K225-R228 HydrophobicContact CB-CG 4.34Å; K225-R228 PolarHBondContact O-N 2.83Å; K225-R228 VanDerWaalsContact O-N 3.09Å; A226-R228 PolarHBondContact O-N 2.71Å; A226-R228 VanDerWaalsContact O-N 3.17Å; R228-S230 PolarHBondContact O-N 3.39Å; R228-S230 VanDerWaalsContact O-N 3.16Å; R228-E247 IonicContact CZ-OE1 3.16Å; R228-E247 IonicContact NH1-OE1 2.73Å; R228-E247 PolarHBondContact NH1-OE1 2.89Å; R228-E247 IonicContact NH2-OE1 3.92Å; R228-E247 PolarHBondContact NH2-OE1 3.28Å; R228-E247 VanDerWaalsContact NH2-OE1 3.14Å |
| 229 | N | 90.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 66.6 Ų | 66.6 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 26.2 | -171.1 | -53.8 | -45.8 | 0 | 0 | 0 | 113.5 | A226 I231 | A226-N229 PolarHBondContact O-N 3.26Å; N229-I231 VanDerWaalsContact C-N 3.33Å |
| 230 | S | 93.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | trans | -92.4 | 4.1 | 178.1 | 80.8 | 0 | 0 | 0 | 0 | 112.9 | Y202 V203 A204 P224 K225 R228 F242 | Y202-S230 WeakPolarHBondContact O-CB 3.04Å; V203-S230 WeakPolarHBondContact CA-O 3.18Å; A204-S230 PolarHBondContact N-O 3.48Å; P224-S230 WeakPolarHBondContact CA-OG 3.49Å; K225-S230 PolarHBondContact N-OG 2.82Å; K225-S230 PolarHBondContact O-N 3.43Å; K225-S230 PolarHBondContact O-OG 2.89Å; R228-S230 PolarHBondContact O-N 3.39Å; R228-S230 VanDerWaalsContact O-N 3.16Å; S230-F242 VanDerWaalsContact CB-CZ 3.42Å | ||
| 231 | I | 95.2 | Very high | 92.5 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -121.5 | 117.6 | 173.7 | -55.5 | 171.3 | 0 | 0 | 0 | 107.7 | A204 P206 M209 P224 A226 N229 | A204-I231 VanDerWaalsContact O-CA 3.27Å; A204-I231 WeakPolarHBondContact O-CA 3.4Å; P206-I231 HydrophobicContact CB-CG2 4.32Å; P206-I231 HydrophobicContact CG-CG2 3.79Å; M209-I231 HydrophobicContact CE-CD1 3.51Å; M209-I231 HydrophobicContact CE-CG1 4.44Å; M209-I231 HydrophobicContact CG-CG2 4.49Å; M209-I231 HydrophobicContact SD-CD1 3.71Å; M209-I231 HydrophobicContact SD-CG1 4.04Å; P224-I231 HydrophobicContact CB-CG1 4.05Å; A226-I231 HydrophobicContact CB-CD1 4.43Å; N229-I231 VanDerWaalsContact C-N 3.33Å |
| 232 | G | 94.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | trans | -169.5 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A204 P206 M238 | A204-G232 PolarHBondContact O-N 2.96Å; A204-G232 VanDerWaalsContact O-N 3.17Å; P206-G232 WeakPolarHBondContact CD-O 3.32Å; G232-M238 VanDerWaalsContact O-CE 3.3Å; G232-M238 WeakPolarHBondContact O-CE 3.45Å | ||
| 233 | R | 93.4 | Very high | 93 | Very high | 192 Ų | 192 | 60.1 Ų | 60.1 | 73% | 0.725 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -93.6 | -28.2 | 177.3 | -65.1 | -179.9 | 177.5 | 174.1 | -1.9 | 112.4 | I235 | R233-I235 PolarHBondContact O-N 3.3Š|
| 234 | D | 94.6 | Very high | 92.9 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | trans | -84.1 | 81.6 | -177.5 | -60.3 | -26.3 | 0 | 0 | 0 | 111.5 | K237 M238 | D234-K237 HydrophobicContact CB-CB 4.2Å; D234-M238 WeakPolarHBondContact O-CE 3.27Å; D234-M238 WeakPolarHBondContact O-CG 3.28Å; D234-M238 PolarHBondContact O-N 3.16Å; D234-M238 VanDerWaalsContact O-N 3.14Å | ||
| 235 | I | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -46.9 | -178.1 | -61.5 | 165.8 | 0 | 0 | 0 | 113.2 | V164 T166 E171 A175 V205 R233 K237 M238 L239 | V164-I235 HydrophobicContact CG1-CD1 4.42Å; V164-I235 HydrophobicContact CG1-CG1 4.47Å; V164-I235 HydrophobicContact CG1-CG2 4.03Å; V164-I235 HydrophobicContact CG2-CG2 4.39Å; T166-I235 HydrophobicContact CG2-CD1 3.63Å; E171-I235 HydrophobicContact CB-CD1 3.53Å; E171-I235 HydrophobicContact CG-CD1 3.83Å; A175-I235 HydrophobicContact CB-CG2 3.93Å; V205-I235 HydrophobicContact CG2-CD1 4.05Å; V205-I235 HydrophobicContact CG2-CG1 4.09Å; R233-I235 PolarHBondContact O-N 3.3Å; I235-K237 PolarHBondContact O-N 3.29Å; I235-M238 HydrophobicContact CG1-CE 4.35Å; I235-M238 PolarHBondContact O-N 3.48Å; I235-L239 HydrophobicContact CG2-CD1 3.74Å; I235-L239 HydrophobicContact CG2-CG 4.17Å; I235-L239 WeakPolarHBondContact O-CB 3.43Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3Å |
| 236 | P | 95 | Very high | 92.9 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | -177.1 | -23.8 | 34.6 | 0 | 0 | 0 | 112.4 | I174 M238 L239 E240 | I174-P236 HydrophobicContact CG2-CG 3.81Å; P236-M238 PolarHBondContact O-N 3.24Å; P236-L239 PolarHBondContact O-N 2.84Å; P236-E240 WeakPolarHBondContact O-CG 3.44Å; P236-E240 PolarHBondContact O-N 3.32Å |
| 237 | K | 94.5 | Very high | 93 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 179.3 | -175.4 | 178.3 | 179.6 | 179.7 | 0 | 112.1 | D234 I235 L241 | D234-K237 HydrophobicContact CB-CB 4.2Å; I235-K237 PolarHBondContact O-N 3.29Å; K237-L241 WeakPolarHBondContact O-CG 3.35Å; K237-L241 PolarHBondContact O-N 3Å |
| 238 | M | 94.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.2 | -70.3 | -173.8 | -66.5 | 0 | 0 | 110.8 | V203 G232 D234 I235 P236 E240 L241 F242 | V203-M238 HydrophobicContact CG1-CB 3.93Å; V203-M238 HydrophobicContact CG1-CE 3.51Å; V203-M238 HydrophobicContact CG1-CG 4.43Å; V203-M238 HydrophobicContact CG1-SD 3.66Å; G232-M238 VanDerWaalsContact O-CE 3.3Å; G232-M238 WeakPolarHBondContact O-CE 3.45Å; D234-M238 WeakPolarHBondContact O-CE 3.27Å; D234-M238 WeakPolarHBondContact O-CG 3.28Å; D234-M238 PolarHBondContact O-N 3.16Å; D234-M238 VanDerWaalsContact O-N 3.14Å; I235-M238 HydrophobicContact CG1-CE 4.35Å; I235-M238 PolarHBondContact O-N 3.48Å; P236-M238 PolarHBondContact O-N 3.24Å; M238-E240 PolarHBondContact O-N 3.47Å; M238-L241 PolarHBondContact O-N 3.45Å; M238-F242 HydrophobicContact CB-CD2 4.29Å; M238-F242 WeakPolarHBondContact O-CD2 3.37Å; M238-F242 PolarHBondContact O-N 2.88Å |
| 239 | L | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.7 | -77.7 | 174.3 | 0 | 0 | 0 | 112.6 | V162 V164 A175 N178 A180 I235 P236 L241 F242 K243 | V162-L239 HydrophobicContact CB-CD2 4Å; V162-L239 HydrophobicContact CG1-CD2 3.78Å; V164-L239 HydrophobicContact CG2-CD1 4.26Å; V164-L239 HydrophobicContact CG2-CD2 3.58Å; V164-L239 HydrophobicContact CG2-CG 4.12Å; A175-L239 HydrophobicContact CB-CD1 4.41Å; N178-L239 HydrophobicContact CB-CD1 3.58Å; A180-L239 HydrophobicContact CB-CD1 4.15Å; A180-L239 HydrophobicContact CB-CD2 4.02Å; I235-L239 HydrophobicContact CG2-CD1 3.74Å; I235-L239 HydrophobicContact CG2-CG 4.17Å; I235-L239 WeakPolarHBondContact O-CB 3.43Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3Å; P236-L239 PolarHBondContact O-N 2.84Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 2.96Å; L239-F242 PolarHBondContact O-N 3.32Å; L239-K243 VanDerWaalsContact O-CB 3.32Å; L239-K243 WeakPolarHBondContact O-CB 3.3Å; L239-K243 WeakPolarHBondContact O-CD 3.02Å; L239-K243 WeakPolarHBondContact O-CG 3.24Å; L239-K243 PolarHBondContact O-N 3.31Å |
| 240 | E | 93.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -57.4 | -43.3 | 175.6 | -73.3 | 174.5 | -178.4 | 0 | 0 | 112.3 | P236 M238 | P236-E240 WeakPolarHBondContact O-CG 3.44Å; P236-E240 PolarHBondContact O-N 3.32Å; M238-E240 PolarHBondContact O-N 3.47Å |
| 241 | L | 92.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 45% | 0.45 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69 | -48.8 | 177.9 | -66.3 | 173.2 | 0 | 0 | 0 | 111.9 | K237 M238 L239 K243 T244 A245 | K237-L241 WeakPolarHBondContact O-CG 3.35Å; K237-L241 PolarHBondContact O-N 3Å; M238-L241 PolarHBondContact O-N 3.45Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 2.96Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.19Å; L241-T244 PolarHBondContact O-N 3.35Å; L241-A245 WeakPolarHBondContact O-CA 3.48Å; L241-A245 WeakPolarHBondContact O-CB 3.41Å; L241-A245 PolarHBondContact O-N 3.01Å |
| 242 | F | 94.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.5 | -23.9 | -174 | -80.3 | -74.9 | 0 | 0 | 0 | 113.9 | V148 N160 V162 F201 V203 S230 M238 L239 T244 A245 | V148-F242 HydrophobicContact CB-CE1 4.3Å; V148-F242 HydrophobicContact CG1-CD1 4.25Å; V148-F242 HydrophobicContact CG1-CE1 3.91Å; V148-F242 HydrophobicContact CG2-CE1 4.1Å; N160-F242 WeakPolarHBondContact CB-O 3.26Å; N160-F242 PolarHBondContact ND2-O 3.29Å; V162-F242 HydrophobicContact CG1-CB 4.08Å; V162-F242 HydrophobicContact CG2-CB 3.8Å; F201-F242 HydrophobicContact CB-CB 4.37Å; F201-F242 HydrophobicContact CB-CD1 3.87Å; F201-F242 HydrophobicContact CB-CG 4.43Å; F201-F242 AromaticContact CD1-CD1 3.6Å; F201-F242 HydrophobicContact CD1-CD1 3.6Å; F201-F242 AromaticContact CD1-CE1 3.95Å; F201-F242 HydrophobicContact CD1-CE1 3.95Å; F201-F242 HydrophobicContact CE1-CD1 4.3Å; F201-F242 AromaticContact CG-CD1 3.78Å; F201-F242 HydrophobicContact CG-CD1 3.78Å; V203-F242 HydrophobicContact CG2-CB 4.35Å; V203-F242 HydrophobicContact CG2-CD2 3.43Å; V203-F242 VanDerWaalsContact CG2-CD2 3.43Å; V203-F242 HydrophobicContact CG2-CE2 3.9Å; V203-F242 HydrophobicContact CG2-CG 3.9Å; S230-F242 VanDerWaalsContact CB-CZ 3.42Å; M238-F242 HydrophobicContact CB-CD2 4.29Å; M238-F242 WeakPolarHBondContact O-CD2 3.37Å; M238-F242 PolarHBondContact O-N 2.88Å; L239-F242 PolarHBondContact O-N 3.32Å; F242-T244 VanDerWaalsContact C-N 3.32Å; F242-T244 PolarHBondContact O-N 3.44Å; F242-A245 HydrophobicContact CD1-CB 4.34Å |
| 243 | K | 92.7 | Very high | 92.3 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.8 | -83.4 | 174.6 | -178.9 | -173.1 | 0 | 113.7 | V159 N160 V162 N178 L239 L241 | V159-K243 HydrophobicContact CG1-CB 3.7Å; V159-K243 HydrophobicContact CG1-CD 4.31Å; V159-K243 HydrophobicContact CG1-CG 3.85Å; N160-K243 PolarHBondContact N-O 2.98Å; N160-K243 PolarHBondContact ND2-O 2.93Å; V162-K243 HydrophobicContact CG2-CG 4.37Å; N178-K243 VanDerWaalsContact O-CE 3.23Å; N178-K243 WeakPolarHBondContact O-CE 3.27Å; N178-K243 PolarHBondContact O-NZ 3.32Å; L239-K243 VanDerWaalsContact O-CB 3.32Å; L239-K243 WeakPolarHBondContact O-CB 3.3Å; L239-K243 WeakPolarHBondContact O-CD 3.02Å; L239-K243 WeakPolarHBondContact O-CG 3.24Å; L239-K243 PolarHBondContact O-N 3.31Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.19Å |
| 244 | T | 92 | Very high | 92 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -113.5 | -0.1 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 113 | L154 L241 F242 | L154-T244 HydrophobicContact CD1-CG2 3.95Å; L241-T244 PolarHBondContact O-N 3.35Å; F242-T244 VanDerWaalsContact C-N 3.32Å; F242-T244 PolarHBondContact O-N 3.44Å |
| 245 | A | 91.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 65 Ų | 65 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | trans | -55.3 | 144.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V148 N160 F201 L241 F242 | V148-A245 HydrophobicContact CG1-CB 3.32Å; N160-A245 PolarHBondContact ND2-O 3.24Å; F201-A245 HydrophobicContact CE2-CB 4.43Å; F201-A245 HydrophobicContact CZ-CB 4.24Å; L241-A245 WeakPolarHBondContact O-CA 3.48Å; L241-A245 WeakPolarHBondContact O-CB 3.41Å; L241-A245 PolarHBondContact O-N 3.01Å; F242-A245 HydrophobicContact CD1-CB 4.34Å | ||
| 246 | H | 93.5 | Very high | 91.2 | Very high | 31 Ų | 31 | 67 Ų | 67 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.7 | 168.1 | -171 | 65.2 | 0 | 0 | 0 | 109.7 | V148 I149 L151 K261 | V148-H246 WeakPolarHBondContact CA-O 3.47Å; I149-H246 PolarHBondContact N-O 3.32Å; I149-H246 PolarHBondContact O-N 2.73Å; L151-H246 HydrophobicContact CD1-CB 3.95Å; L151-H246 HydrophobicContact CG-CB 3.97Å; H246-K261 PolarHBondContact CE1-O 2.72Å; H246-K261 PolarHBondContact NE2-O 3.19Å; H246-K261 VanDerWaalsContact NE2-O 3.16Å |
| 247 | E | 92.1 | Very high | 91.1 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.1 | 176.3 | -172 | 176.3 | -161.3 | 0 | 0 | 110.5 | F201 R228 | F201-E247 HydrophobicContact CE1-CB 3.98Å; F201-E247 HydrophobicContact CZ-CB 3.98Å; R228-E247 IonicContact CZ-OE1 3.16Å; R228-E247 IonicContact NH1-OE1 2.73Å; R228-E247 PolarHBondContact NH1-OE1 2.89Å; R228-E247 IonicContact NH2-OE1 3.92Å; R228-E247 PolarHBondContact NH2-OE1 3.28Å; R228-E247 VanDerWaalsContact NH2-OE1 3.14Å |
| 248 | I | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132 | 173 | -67.8 | 145.9 | 0 | 0 | 0 | 108.4 | A146 S147 I149 L258 T260 V279 V283 | A146-I248 CarbonylContact C-O 3.4Å; A146-I248 VanDerWaalsContact CA-O 3.24Å; A146-I248 WeakPolarHBondContact CA-O 3.4Å; S147-I248 PolarHBondContact N-O 3.06Å; S147-I248 PolarHBondContact O-N 2.91Å; I149-I248 HydrophobicContact CB-CD1 4.44Å; I149-I248 HydrophobicContact CD1-CD1 3.04Å; I149-I248 HydrophobicContact CG1-CD1 3.73Å; I248-L258 HydrophobicContact CG2-CD1 3.27Å; I248-L258 HydrophobicContact CG2-CD2 3.86Å; I248-L258 HydrophobicContact CG2-CG 3.61Å; I248-T260 HydrophobicContact CB-CG2 4.08Å; I248-T260 HydrophobicContact CG1-CG2 3.71Å; I248-T260 HydrophobicContact CG2-CG2 3.96Å; I248-V279 HydrophobicContact CD1-CB 4.4Å; I248-V279 HydrophobicContact CD1-CG1 3.85Å; I248-V279 HydrophobicContact CD1-CG2 4.06Å; I248-V279 HydrophobicContact CG1-CG1 4.45Å; I248-V283 HydrophobicContact CG2-CG2 4.35Å |
| 249 | M | 91.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 62 Ų | 62 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.1 | -175.7 | -178.3 | 173.5 | 66.4 | 0 | 0 | 110.2 | A146 K221 | A146-M249 HydrophobicContact CB-CB 4.29Å; A146-M249 HydrophobicContact CB-CG 4.2Å; K221-M249 HydrophobicContact CB-SD 4.35Å; K221-M249 HydrophobicContact CD-CE 4.22Å; K221-M249 HydrophobicContact CD-SD 3.23Å; K221-M249 WeakPolarHBondContact CD-SD 3.4Å; K221-M249 HydrophobicContact CG-SD 4.4Å |
| 250 | V | 91.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.5 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | L132 M134 F145 N256 L258 | L132-V250 HydrophobicContact CD1-CG1 4.31Å; L132-V250 HydrophobicContact CD1-CG2 3.64Å; M134-V250 HydrophobicContact CE-CG1 4.1Å; F145-V250 HydrophobicContact CD1-CG2 4.5Å; F145-V250 HydrophobicContact CD2-CG2 4.45Å; F145-V250 HydrophobicContact CE1-CG2 4.15Å; F145-V250 HydrophobicContact CE2-CG2 4.08Å; F145-V250 HydrophobicContact CZ-CG2 3.92Å; F145-V250 PolarHBondContact O-N 3.46Å; V250-N256 HydrophobicContact CG1-CB 4.26Å; V250-L258 HydrophobicContact CG2-CB 4.48Å; V250-L258 HydrophobicContact CG2-CD1 4.09Å |
| 251 | D | 89.4 | Confident | 91.3 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106.6 | 174.8 | -72 | -32.5 | 0 | 0 | 0 | 110.3 | K221 R254 N256 F257 | K221-D251 IonicContact NZ-OD1 2.71Å; D251-R254 HydrophobicContact CB-CB 4.22Å; D251-R254 HydrophobicContact CB-CG 4.45Å; D251-R254 PolarHBondContact O-N 3.43Å; D251-N256 WeakPolarHBondContact O-CA 3.41Å; D251-N256 PolarHBondContact O-N 3.12Å; D251-F257 WeakPolarHBondContact CB-O 3.47Å; D251-F257 PolarHBondContact N-O 3.34Å; D251-F257 PolarHBondContact O-N 2.89Å |
| 252 | E | 83.9 | Confident | 91.4 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.9 | -41.4 | 176.8 | -61.6 | -173 | 125 | 0 | 0 | 112.7 | P144 R254 Q255 | P144-E252 VanDerWaalsContact CB-CD 3.43Å; P144-E252 HydrophobicContact CB-CG 3.38Å; P144-E252 WeakPolarHBondContact CB-OE1 3.17Å; P144-E252 WeakPolarHBondContact CD-OE1 3.45Å; P144-E252 HydrophobicContact CG-CG 3.85Å; P144-E252 WeakPolarHBondContact CG-OE1 3.39Å; E252-R254 PolarHBondContact O-N 3.48Å; E252-R254 VanDerWaalsContact O-N 3.08Å; E252-Q255 PolarHBondContact O-N 3.28Å; E252-Q255 VanDerWaalsContact O-N 3.11Å |
| 253 | E | 85.3 | Confident | 91.5 | Very high | 197 Ų | 197 | 54.9 Ų | 54.9 | 92% | 0.921 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -59.6 | -25 | -178 | -63.8 | 179.8 | -179.1 | 0 | 0 | 112.3 | ||
| 254 | R | 85.9 | Confident | 91.7 | Very high | 163 Ų | 163 | 52.9 Ų | 52.9 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -101.5 | 31.6 | -179.6 | -66.2 | -175.6 | 177 | -173.1 | 1.1 | 112.8 | D251 E252 F257 | D251-R254 HydrophobicContact CB-CB 4.22Å; D251-R254 HydrophobicContact CB-CG 4.45Å; D251-R254 PolarHBondContact O-N 3.43Å; E252-R254 PolarHBondContact O-N 3.48Å; E252-R254 VanDerWaalsContact O-N 3.08Å; R254-F257 HydrophobicContact CB-CB 3.82Å; R254-F257 WeakPolarHBondContact O-CB 3.15Å |
| 255 | Q | 85.2 | Confident | 91.8 | Very high | 165 Ų | 165 | 50.4 Ų | 50.4 | 77% | 0.771 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 47.1 | 179.7 | -50.8 | 175.4 | -19.7 | 0 | 0 | 112.8 | E252 F257 | E252-Q255 PolarHBondContact O-N 3.28Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; Q255-F257 VanDerWaalsContact C-N 3.3Å; Q255-F257 PolarHBondContact O-N 2.95Å |
| 256 | N | 88.3 | Confident | 92 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 57.6 | 43.7 | -179.5 | -49.7 | -39.3 | 0 | 0 | 0 | 112.6 | L132 M134 V250 D251 | L132-N256 PolarHBondContact N-O 3.3Å; L132-N256 WeakPolarHBondContact O-CB 3.19Å; M134-N256 HydrophobicContact CG-CB 3.64Å; M134-N256 WeakPolarHBondContact CG-ND2 3.48Å; V250-N256 HydrophobicContact CG1-CB 4.26Å; D251-N256 WeakPolarHBondContact O-CA 3.41Å; D251-N256 PolarHBondContact O-N 3.12Å |
| 257 | F | 92.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.1 | -179.2 | -174.9 | -108.4 | 0 | 0 | 0 | 110.1 | D129 L130 D251 R254 Q255 | D129-F257 HydrophobicContact CB-CE2 3.78Å; D129-F257 HydrophobicContact CB-CZ 3.54Å; L130-F257 WeakPolarHBondContact O-CA 3.43Å; L130-F257 WeakPolarHBondContact O-CD2 3.42Å; D251-F257 WeakPolarHBondContact CB-O 3.47Å; D251-F257 PolarHBondContact N-O 3.34Å; D251-F257 PolarHBondContact O-N 2.89Å; R254-F257 HydrophobicContact CB-CB 3.82Å; R254-F257 WeakPolarHBondContact O-CB 3.15Å; Q255-F257 VanDerWaalsContact C-N 3.3Å; Q255-F257 PolarHBondContact O-N 2.95Å |
| 258 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.6 | 176 | 175.4 | 167.7 | 0 | 0 | 0 | 107 | D129 L130 L132 I248 V250 T260 V283 | D129-L258 CarbonylContact C-O 3.54Å; D129-L258 WeakPolarHBondContact CA-O 3.14Å; L130-L258 HydrophobicContact CB-CB 4.28Å; L130-L258 HydrophobicContact CB-CD2 4.38Å; L130-L258 HydrophobicContact CD1-CD2 4.18Å; L130-L258 HydrophobicContact CG-CD2 4.26Å; L130-L258 PolarHBondContact N-O 2.93Å; L130-L258 PolarHBondContact O-N 2.95Å; L132-L258 HydrophobicContact CD1-CB 4.4Å; L132-L258 HydrophobicContact CD1-CD1 4.11Å; I248-L258 HydrophobicContact CG2-CD1 3.27Å; I248-L258 HydrophobicContact CG2-CD2 3.86Å; I248-L258 HydrophobicContact CG2-CG 3.61Å; V250-L258 HydrophobicContact CG2-CB 4.48Å; V250-L258 HydrophobicContact CG2-CD1 4.09Å; L258-T260 HydrophobicContact CD2-CG2 3.86Å; L258-T260 HydrophobicContact CG-CG2 4.45Å; L258-V283 HydrophobicContact CD1-CG1 4.47Å; L258-V283 HydrophobicContact CD1-CG2 3.57Å |
| 259 | S | 94.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 118.2 | 177 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L128 D129 R301 | L128-S259 WeakPolarHBondContact O-CA 3.48Å; D129-S259 VanDerWaalsContact OD1-CB 3.3Å; D129-S259 WeakPolarHBondContact OD1-CB 3.37Å; D129-S259 PolarHBondContact OD1-OG 3.09Å; S259-R301 PolarHBondContact OG-NH2 3.2Å |
| 260 | T | 95.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.3 | -177.2 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | Y127 L128 I248 L258 | Y127-T260 CarbonylContact C-O 3.53Å; Y127-T260 VanDerWaalsContact CA-O 3.26Å; Y127-T260 WeakPolarHBondContact CA-O 3.35Å; L128-T260 PolarHBondContact N-O 3.39Å; L128-T260 PolarHBondContact O-N 3.17Å; I248-T260 HydrophobicContact CB-CG2 4.08Å; I248-T260 HydrophobicContact CG1-CG2 3.71Å; I248-T260 HydrophobicContact CG2-CG2 3.96Å; L258-T260 HydrophobicContact CD2-CG2 3.86Å; L258-T260 HydrophobicContact CG-CG2 4.45Å |
| 261 | K | 95.7 | Very high | 92.9 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 27% | 0.274 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.5 | 176 | -176.7 | -177.7 | 170.3 | -176.8 | 0 | 108.7 | V126 Y127 F155 H246 A263 | V126-K261 CarbonylContact O-C 3.52Å; V126-K261 WeakPolarHBondContact O-CA 3.28Å; Y127-K261 HydrophobicContact CD1-CB 3.89Å; Y127-K261 HydrophobicContact CE1-CB 3.72Å; Y127-K261 HydrophobicContact CE1-CG 4.24Å; F155-K261 HydrophobicContact CD2-CD 4.32Å; F155-K261 WeakPolarHBondContact CE1-O 3.32Å; F155-K261 HydrophobicContact CE2-CD 3.6Å; F155-K261 HydrophobicContact CE2-CG 3.99Å; F155-K261 HydrophobicContact CZ-CB 4.31Å; F155-K261 HydrophobicContact CZ-CD 4.01Å; F155-K261 HydrophobicContact CZ-CG 3.94Å; F155-K261 WeakPolarHBondContact CZ-O 3.06Å; H246-K261 PolarHBondContact CE1-O 2.72Å; H246-K261 PolarHBondContact NE2-O 3.19Å; H246-K261 VanDerWaalsContact NE2-O 3.16Å; K261-A263 WeakPolarHBondContact CE-O 3.47Å |
| 262 | I | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -24 | -174.3 | 60.7 | 163 | 0 | 0 | 0 | 113.6 | V126 L128 F155 I272 N275 L276 V279 L300 | V126-I262 HydrophobicContact CB-CG1 4.27Å; V126-I262 HydrophobicContact CG1-CD1 4.15Å; V126-I262 HydrophobicContact CG1-CG1 4.01Å; V126-I262 PolarHBondContact O-N 3.02Å; L128-I262 HydrophobicContact CB-CD1 4.36Å; L128-I262 HydrophobicContact CB-CG2 3.63Å; L128-I262 HydrophobicContact CD2-CG2 4.33Å; F155-I262 WeakPolarHBondContact CD1-O 3.42Å; I262-I272 HydrophobicContact CD1-CG2 4.22Å; I262-N275 PolarHBondContact O-ND2 3.26Å; I262-L276 HydrophobicContact CD1-CB 3.79Å; I262-L276 HydrophobicContact CD1-CD1 4.09Å; I262-L276 HydrophobicContact CD1-CG 4.22Å; I262-V279 HydrophobicContact CG2-CG2 4.03Å; I262-L300 HydrophobicContact CD1-CD1 3.82Å |
| 263 | A | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 179 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V126 K261 M267 I272 | V126-A263 HydrophobicContact CB-CB 4.25Å; V126-A263 HydrophobicContact CG2-CB 4.47Å; V126-A263 PolarHBondContact N-O 3.02Å; K261-A263 WeakPolarHBondContact CE-O 3.47Å; A263-M267 HydrophobicContact CB-SD 3.71Å; A263-I272 HydrophobicContact CB-CB 4.3Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.12Å |
| 264 | T | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.1 | 161.3 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | Q124 F155 D266 M267 | Q124-T264 CarbonylContact O-C 3.59Å; Q124-T264 VanDerWaalsContact O-CA 3.28Å; Q124-T264 WeakPolarHBondContact O-CA 3.44Å; F155-T264 HydrophobicContact CB-CG2 4.33Å; F155-T264 HydrophobicContact CD2-CG2 4.27Å; T264-D266 WeakPolarHBondContact CB-OD1 3.41Å; T264-D266 PolarHBondContact O-N 3.26Å; T264-D266 PolarHBondContact OG1-OD1 2.94Å; T264-M267 WeakPolarHBondContact O-CB 3.37Å; T264-M267 WeakPolarHBondContact O-CG 3.49Å; T264-M267 PolarHBondContact O-N 2.99Å |
| 265 | L | 94.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.6 | -174.7 | -84.1 | -173.6 | 0 | 0 | 0 | 114.4 | L111 K112 Q115 P122 Q124 V126 M267 | L111-L265 HydrophobicContact CB-CD2 3.89Å; K112-L265 VanDerWaalsContact CE-O 3.23Å; K112-L265 WeakPolarHBondContact CE-O 3.19Å; K112-L265 HydrophobicContact CG-CD2 4.36Å; Q115-L265 HydrophobicContact CB-CD1 3.73Å; Q115-L265 HydrophobicContact CG-CD1 4.08Å; P122-L265 WeakPolarHBondContact O-CB 3.02Å; Q124-L265 VanDerWaalsContact CD-CD1 3.49Å; Q124-L265 HydrophobicContact CG-CB 4.1Å; Q124-L265 HydrophobicContact CG-CD1 3.37Å; Q124-L265 HydrophobicContact CG-CG 3.82Å; Q124-L265 PolarHBondContact O-N 3.35Å; V126-L265 HydrophobicContact CG2-CB 4.38Å; V126-L265 HydrophobicContact CG2-CD2 3.39Å; V126-L265 HydrophobicContact CG2-CG 3.65Å; L265-M267 PolarHBondContact O-N 2.91Å |
| 266 | D | 94.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14.7 | 175.2 | 62.2 | -29.3 | 0 | 0 | 0 | 113.1 | P122 K123 T264 | P122-D266 PolarHBondContact O-N 2.79Å; K123-D266 HydrophobicContact CG-CB 4.41Å; K123-D266 WeakPolarHBondContact CG-OD2 3.39Å; T264-D266 WeakPolarHBondContact CB-OD1 3.41Å; T264-D266 PolarHBondContact O-N 3.26Å; T264-D266 PolarHBondContact OG1-OD1 2.94Å |
| 267 | M | 95.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -67.7 | 150.3 | 175.7 | -65.1 | 179.6 | 77.1 | 0 | 0 | 112.2 | K112 H153 F155 A263 T264 L265 Q271 I272 | K112-M267 WeakPolarHBondContact CE-O 3.36Å; K112-M267 PolarHBondContact NZ-O 3.38Å; H153-M267 HydrophobicContact CB-CE 3.74Å; F155-M267 HydrophobicContact CB-CE 4.36Å; F155-M267 HydrophobicContact CB-SD 3.43Å; F155-M267 WeakPolarHBondContact CB-SD 3.46Å; A263-M267 HydrophobicContact CB-SD 3.71Å; T264-M267 WeakPolarHBondContact O-CB 3.37Å; T264-M267 WeakPolarHBondContact O-CG 3.49Å; T264-M267 PolarHBondContact O-N 2.99Å; L265-M267 PolarHBondContact O-N 2.91Å; M267-Q271 HydrophobicContact CE-CB 3.98Å; M267-I272 HydrophobicContact CB-CD1 4.24Å; M267-I272 HydrophobicContact CB-CG1 3.9Å |
| 268 | P | 96.5 | Very high | 95.7 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 40% | 0.403 | 19% | 0.194 | S | C | . | . | trans | -62.2 | 147.8 | 172.2 | 28.4 | -35.6 | 0 | 0 | 0 | 110.6 | D270 Q271 I272 | P268-D270 PolarHBondContact O-N 3.2Å; P268-Q271 HydrophobicContact CG-CB 3.97Å; P268-Q271 HydrophobicContact CG-CG 3.56Å; P268-Q271 PolarHBondContact O-N 3.12Å; P268-Q271 VanDerWaalsContact O-N 3.16Å; P268-I272 PolarHBondContact O-N 3.34Å | ||
| 269 | S | 96 | Very high | 95.8 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.1 | -35 | -170.6 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | K112 Q271 I272 A273 | K112-S269 PolarHBondContact NZ-OG 3.23Å; K112-S269 VanDerWaalsContact NZ-OG 3.1Å; S269-Q271 PolarHBondContact O-N 2.87Å; S269-I272 PolarHBondContact O-N 3.02Å; S269-A273 PolarHBondContact O-N 3.37Å |
| 270 | D | 96.7 | Very high | 95.7 | Very high | 129 Ų | 129 | 31.9 Ų | 31.9 | 69% | 0.69 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -65.6 | -38.9 | 179.8 | -49.5 | -31 | 0 | 0 | 0 | 111.9 | P268 A273 A274 | P268-D270 PolarHBondContact O-N 3.2Å; D270-A273 PolarHBondContact O-N 2.86Å; D270-A274 WeakPolarHBondContact O-CB 3.47Å; D270-A274 PolarHBondContact O-N 2.78Å |
| 271 | Q | 97 | Very high | 95.6 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 177.6 | -68.8 | -179.8 | 5.9 | 0 | 0 | 111.7 | H153 M267 P268 S269 A273 A274 N275 | H153-Q271 HydrophobicContact CB-CB 4.04Å; H153-Q271 HydrophobicContact CB-CG 4.24Å; M267-Q271 HydrophobicContact CE-CB 3.98Å; P268-Q271 HydrophobicContact CG-CB 3.97Å; P268-Q271 HydrophobicContact CG-CG 3.56Å; P268-Q271 PolarHBondContact O-N 3.12Å; P268-Q271 VanDerWaalsContact O-N 3.16Å; S269-Q271 PolarHBondContact O-N 2.87Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A274 PolarHBondContact O-N 3.12Å; Q271-N275 WeakPolarHBondContact O-CB 3.27Å; Q271-N275 PolarHBondContact O-N 3.41Å |
| 272 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.9 | -59.1 | 174.3 | 0 | 0 | 0 | 109.7 | I108 V126 I262 A263 M267 P268 S269 N275 L276 | I108-I272 HydrophobicContact CD1-CB 4.04Å; I108-I272 HydrophobicContact CD1-CG2 3.84Å; I108-I272 HydrophobicContact CG1-CG2 4.01Å; I108-I272 HydrophobicContact CG2-CD1 3.98Å; V126-I272 HydrophobicContact CG1-CG2 4.48Å; I262-I272 HydrophobicContact CD1-CG2 4.22Å; A263-I272 HydrophobicContact CB-CB 4.3Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.12Å; M267-I272 HydrophobicContact CB-CD1 4.24Å; M267-I272 HydrophobicContact CB-CG1 3.9Å; P268-I272 PolarHBondContact O-N 3.34Å; S269-I272 PolarHBondContact O-N 3.02Å; I272-N275 PolarHBondContact O-N 3.45Å; I272-L276 WeakPolarHBondContact O-CB 3.39Å; I272-L276 PolarHBondContact O-N 2.9Å |
| 273 | A | 96 | Very high | 95.3 | Very high | 27 Ų | 27 | 33 Ų | 33 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V104 I108 S269 D270 Q271 L276 Q277 | V104-A273 HydrophobicContact CG1-CB 4.13Å; I108-A273 HydrophobicContact CD1-CB 4.1Å; S269-A273 PolarHBondContact O-N 3.37Å; D270-A273 PolarHBondContact O-N 2.86Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; A273-L276 WeakPolarHBondContact O-CB 3.23Å; A273-L276 PolarHBondContact O-N 2.81Å; A273-Q277 WeakPolarHBondContact O-CB 3.47Å; A273-Q277 PolarHBondContact O-N 2.99Å |
| 274 | A | 96.3 | Very high | 95 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 26% | 0.256 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D270 Q271 Q277 A278 | D270-A274 WeakPolarHBondContact O-CB 3.47Å; D270-A274 PolarHBondContact O-N 2.78Å; Q271-A274 PolarHBondContact O-N 3.12Å; A274-Q277 PolarHBondContact O-N 3.36Å; A274-A278 PolarHBondContact O-N 3.32Å |
| 275 | N | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.2 | -77.4 | -1.1 | 0 | 0 | 0 | 111.9 | L151 P152 H153 I262 Q271 I272 Q277 A278 V279 | L151-N275 HydrophobicContact CD2-CB 4.5Å; P152-N275 WeakPolarHBondContact CD-OD1 3.27Å; H153-N275 PolarHBondContact N-OD1 2.97Å; H153-N275 PolarHBondContact O-ND2 3Å; H153-N275 PolarHBondContact O-OD1 3.41Å; I262-N275 PolarHBondContact O-ND2 3.26Å; Q271-N275 WeakPolarHBondContact O-CB 3.27Å; Q271-N275 PolarHBondContact O-N 3.41Å; I272-N275 PolarHBondContact O-N 3.45Å; N275-Q277 VanDerWaalsContact C-N 3.31Å; N275-Q277 PolarHBondContact O-N 3.37Å; N275-A278 PolarHBondContact O-N 3.13Å; N275-V279 WeakPolarHBondContact O-CG2 3.15Å; N275-V279 PolarHBondContact O-N 3.22Å |
| 276 | L | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 175.9 | -176 | 154.9 | 0 | 0 | 0 | 111 | V104 L128 I262 I272 A273 V279 I280 L300 L310 L315 | V104-L276 HydrophobicContact CG1-CD1 4.23Å; L128-L276 HydrophobicContact CD1-CD1 4.15Å; L128-L276 HydrophobicContact CD1-CG 4.24Å; L128-L276 HydrophobicContact CD2-CG 4.34Å; I262-L276 HydrophobicContact CD1-CB 3.79Å; I262-L276 HydrophobicContact CD1-CD1 4.09Å; I262-L276 HydrophobicContact CD1-CG 4.22Å; I272-L276 WeakPolarHBondContact O-CB 3.39Å; I272-L276 PolarHBondContact O-N 2.9Å; A273-L276 WeakPolarHBondContact O-CB 3.23Å; A273-L276 PolarHBondContact O-N 2.81Å; L276-V279 PolarHBondContact O-N 3.27Å; L276-I280 HydrophobicContact CD2-CD1 3.48Å; L276-I280 VanDerWaalsContact CD2-CD1 3.48Å; L276-I280 HydrophobicContact CD2-CG1 4.36Å; L276-I280 HydrophobicContact CG-CD1 4.39Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.39Å; L276-I280 VanDerWaalsContact O-N 3.07Å; L276-L300 HydrophobicContact CD1-CD1 3.83Å; L276-L310 HydrophobicContact CD1-CD1 3.86Å; L276-L315 HydrophobicContact CD2-CD1 3.87Å; L276-L315 HydrophobicContact CD2-CD2 3.5Å; L276-L315 HydrophobicContact CD2-CG 4.31Å |
| 277 | Q | 94.7 | Very high | 93.8 | Very high | 97 Ų | 97 | 39 Ų | 39 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 179.8 | -160.2 | 178 | 9.6 | 0 | 0 | 111.7 | A273 A274 N275 V279 I280 N281 | A273-Q277 WeakPolarHBondContact O-CB 3.47Å; A273-Q277 PolarHBondContact O-N 2.99Å; A274-Q277 PolarHBondContact O-N 3.36Å; N275-Q277 VanDerWaalsContact C-N 3.31Å; N275-Q277 PolarHBondContact O-N 3.37Å; Q277-V279 VanDerWaalsContact C-N 3.35Å; Q277-V279 PolarHBondContact O-N 3.33Å; Q277-I280 PolarHBondContact O-N 2.93Å; Q277-N281 VanDerWaalsContact O-CB 3.32Å; Q277-N281 WeakPolarHBondContact O-CB 3.33Å; Q277-N281 PolarHBondContact O-N 2.92Å; Q277-N281 PolarHBondContact O-ND2 3.36Å |
| 278 | A | 94.7 | Very high | 93.1 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P152 A274 N275 N281 E282 | P152-A278 HydrophobicContact CG-CB 3.93Å; A274-A278 PolarHBondContact O-N 3.32Å; N275-A278 PolarHBondContact O-N 3.13Å; A278-N281 PolarHBondContact O-N 3.47Å; A278-E282 PolarHBondContact O-N 2.87Å; A278-E282 VanDerWaalsContact O-N 3.12Å |
| 279 | V | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L128 L151 I248 I262 N275 L276 Q277 N281 E282 V283 | L128-V279 HydrophobicContact CD2-CB 4.27Å; L128-V279 HydrophobicContact CD2-CG1 3.84Å; L151-V279 HydrophobicContact CD2-CG2 3.78Å; I248-V279 HydrophobicContact CD1-CB 4.4Å; I248-V279 HydrophobicContact CD1-CG1 3.85Å; I248-V279 HydrophobicContact CD1-CG2 4.06Å; I248-V279 HydrophobicContact CG1-CG1 4.45Å; I262-V279 HydrophobicContact CG2-CG2 4.03Å; N275-V279 WeakPolarHBondContact O-CG2 3.15Å; N275-V279 PolarHBondContact O-N 3.22Å; L276-V279 PolarHBondContact O-N 3.27Å; Q277-V279 VanDerWaalsContact C-N 3.35Å; Q277-V279 PolarHBondContact O-N 3.33Å; V279-N281 VanDerWaalsContact C-N 3.35Å; V279-N281 PolarHBondContact O-N 3.16Å; V279-E282 PolarHBondContact O-N 2.98Å; V279-V283 HydrophobicContact CG1-CG2 4.49Å; V279-V283 VanDerWaalsContact O-CG2 3.27Å; V279-V283 WeakPolarHBondContact O-CG2 3.37Å; V279-V283 PolarHBondContact O-N 3.33Å |
| 280 | I | 93.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 179 | -68.1 | 177.6 | 0 | 0 | 0 | 111.1 | L128 L130 L276 Q277 E282 V283 C284 L315 | L128-I280 HydrophobicContact CD2-CG1 4.17Å; L130-I280 HydrophobicContact CD1-CG1 4.4Å; L276-I280 HydrophobicContact CD2-CD1 3.48Å; L276-I280 VanDerWaalsContact CD2-CD1 3.48Å; L276-I280 HydrophobicContact CD2-CG1 4.36Å; L276-I280 HydrophobicContact CG-CD1 4.39Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.39Å; L276-I280 VanDerWaalsContact O-N 3.07Å; Q277-I280 PolarHBondContact O-N 2.93Å; I280-E282 VanDerWaalsContact C-N 3.33Å; I280-E282 PolarHBondContact O-N 3.44Å; I280-V283 PolarHBondContact O-N 2.88Å; I280-C284 WeakPolarHBondContact O-CB 3.42Å; I280-C284 PolarHBondContact O-N 3.45Å; I280-C284 PolarHBondContact O-SG 2.94Å; I280-L315 HydrophobicContact CD1-CB 3.8Å; I280-L315 HydrophobicContact CD1-CD1 3.62Å; I280-L315 HydrophobicContact CD1-CD2 4.16Å; I280-L315 HydrophobicContact CD1-CG 4.07Å; I280-L315 HydrophobicContact CG2-CB 4.49Å |
| 281 | N | 92.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 179 | -75.3 | -18.8 | 0 | 0 | 0 | 111.8 | Q277 A278 V279 C284 K285 | Q277-N281 VanDerWaalsContact O-CB 3.32Å; Q277-N281 WeakPolarHBondContact O-CB 3.33Å; Q277-N281 PolarHBondContact O-N 2.92Å; Q277-N281 PolarHBondContact O-ND2 3.36Å; A278-N281 PolarHBondContact O-N 3.47Å; V279-N281 VanDerWaalsContact C-N 3.35Å; V279-N281 PolarHBondContact O-N 3.16Å; N281-C284 PolarHBondContact O-N 3.41Å; N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 3.35Å |
| 282 | E | 92.2 | Very high | 89.5 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.2 | -172.9 | 74.8 | -171.9 | 0 | 0 | 112.2 | I149 A278 V279 I280 C284 K285 H286 | I149-E282 HydrophobicContact CD1-CB 3.11Å; I149-E282 HydrophobicContact CD1-CG 3.41Å; I149-E282 VanDerWaalsContact CD1-CG 3.41Å; I149-E282 HydrophobicContact CG1-CB 3.76Å; I149-E282 HydrophobicContact CG1-CG 3.48Å; I149-E282 VanDerWaalsContact CG1-CG 3.48Å; A278-E282 PolarHBondContact O-N 2.87Å; A278-E282 VanDerWaalsContact O-N 3.12Å; V279-E282 PolarHBondContact O-N 2.98Å; I280-E282 VanDerWaalsContact C-N 3.33Å; I280-E282 PolarHBondContact O-N 3.44Å; E282-C284 PolarHBondContact O-N 3.18Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 3.09Å; E282-K285 WeakPolarHBondContact OE2-CD 3.46Å; E282-K285 WeakPolarHBondContact OE2-CE 3.39Å; E282-K285 IonicContact OE2-NZ 2.72Å; E282-K285 PolarHBondContact OE2-NZ 3.18Å; E282-H286 PolarHBondContact O-CD2 3.41Å |
| 283 | V | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.2 | -45.1 | 177 | 168.9 | 0 | 0 | 0 | 0 | 109.6 | L130 L132 F145 I248 L258 V279 I280 K285 H286 F294 | L130-V283 HydrophobicContact CD1-CG1 4.41Å; L130-V283 HydrophobicContact CD1-CG2 4.37Å; L132-V283 HydrophobicContact CD1-CG1 3.96Å; L132-V283 HydrophobicContact CD2-CG1 3.68Å; F145-V283 HydrophobicContact CZ-CG1 4.28Å; I248-V283 HydrophobicContact CG2-CG2 4.35Å; L258-V283 HydrophobicContact CD1-CG1 4.47Å; L258-V283 HydrophobicContact CD1-CG2 3.57Å; V279-V283 HydrophobicContact CG1-CG2 4.49Å; V279-V283 VanDerWaalsContact O-CG2 3.27Å; V279-V283 WeakPolarHBondContact O-CG2 3.37Å; V279-V283 PolarHBondContact O-N 3.33Å; I280-V283 PolarHBondContact O-N 2.88Å; V283-K285 VanDerWaalsContact C-N 3.28Å; V283-K285 PolarHBondContact O-N 2.85Å; V283-H286 PolarHBondContact O-N 3.41Å; V283-F294 HydrophobicContact CG1-CD1 3.83Å; V283-F294 HydrophobicContact CG1-CE1 3.43Å; V283-F294 VanDerWaalsContact CG1-CE1 3.43Å; V283-F294 HydrophobicContact CG1-CZ 4.44Å; V283-F294 WeakPolarHBondContact O-CD1 3.47Å; V283-F294 WeakPolarHBondContact O-CE1 3.3Å |
| 284 | C | 90.2 | Very high | 88.3 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -21.1 | 176.6 | -69.3 | 0 | 0 | 0 | 0 | 114.7 | I280 N281 E282 H286 R287 P317 | I280-C284 WeakPolarHBondContact O-CB 3.42Å; I280-C284 PolarHBondContact O-N 3.45Å; I280-C284 PolarHBondContact O-SG 2.94Å; N281-C284 PolarHBondContact O-N 3.41Å; E282-C284 PolarHBondContact O-N 3.18Å; C284-H286 PolarHBondContact O-N 3.01Å; C284-R287 PolarHBondContact O-N 3.4Å; C284-P317 HydrophobicContact CB-CG 3.9Å |
| 285 | K | 88.5 | Confident | 88 | Confident | 152 Ų | 152 | 44.7 Ų | 44.7 | 66% | 0.661 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.3 | -24.5 | 175.2 | -69.7 | 173.2 | -167.3 | 166.7 | 0 | 113.1 | N281 E282 V283 R287 | N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 3.35Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 3.09Å; E282-K285 WeakPolarHBondContact OE2-CD 3.46Å; E282-K285 WeakPolarHBondContact OE2-CE 3.39Å; E282-K285 IonicContact OE2-NZ 2.72Å; E282-K285 PolarHBondContact OE2-NZ 3.18Å; V283-K285 VanDerWaalsContact C-N 3.28Å; V283-K285 PolarHBondContact O-N 2.85Å; K285-R287 VanDerWaalsContact C-N 3.29Å; K285-R287 PolarHBondContact O-N 2.8Å |
| 286 | H | 87.8 | Confident | 87.7 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.7 | -177.2 | -68.2 | -78 | 0 | 0 | 0 | 113.8 | F145 S147 E282 V283 C284 | F145-H286 HydrophobicContact CD1-CB 3.54Å; F145-H286 AromaticContact CD1-CG 3.66Å; F145-H286 HydrophobicContact CD2-CB 4.15Å; F145-H286 AromaticContact CD2-CD2 3.18Å; F145-H286 WeakPolarHBondContact CD2-CD2 3.43Å; F145-H286 AromaticContact CD2-CE1 3.55Å; F145-H286 AromaticContact CD2-CG 3.39Å; F145-H286 AromaticContact CD2-ND1 3.62Å; F145-H286 AromaticContact CD2-NE2 3.27Å; F145-H286 VanDerWaalsContact CD2-NE2 3.27Å; F145-H286 WeakPolarHBondContact CD2-NE2 3.41Å; F145-H286 HydrophobicContact CE1-CB 3.36Å; F145-H286 AromaticContact CE1-CG 3.74Å; F145-H286 HydrophobicContact CE2-CB 4.03Å; F145-H286 AromaticContact CE2-CD2 3.04Å; F145-H286 WeakPolarHBondContact CE2-CD2 3.13Å; F145-H286 AromaticContact CE2-CG 3.51Å; F145-H286 AromaticContact CE2-NE2 3.54Å; F145-H286 HydrophobicContact CG-CB 3.92Å; F145-H286 AromaticContact CG-CD2 3.8Å; F145-H286 AromaticContact CG-CE1 3.85Å; F145-H286 AromaticContact CG-CG 3.47Å; F145-H286 VanDerWaalsContact CG-CG 3.47Å; F145-H286 AromaticContact CG-ND1 3.52Å; F145-H286 HydrophobicContact CZ-CB 3.63Å; F145-H286 AromaticContact CZ-CD2 3.53Å; F145-H286 AromaticContact CZ-CG 3.68Å; S147-H286 VanDerWaalsContact CB-NE2 3.3Å; S147-H286 WeakPolarHBondContact CB-NE2 3.28Å; S147-H286 PolarHBondContact OG-NE2 2.88Å; E282-H286 PolarHBondContact O-CD2 3.41Å; V283-H286 PolarHBondContact O-N 3.41Å; C284-H286 PolarHBondContact O-N 3.01Å |
| 287 | R | 84.8 | Confident | 87.5 | Confident | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -125.6 | 130.1 | 176.6 | -171.7 | 173.3 | 179.1 | -94.9 | 11.5 | 109.7 | A135 L136 V142 C284 K285 L289 L291 G292 F294 | A135-R287 PolarHBondContact O-NE 3.42Å; A135-R287 PolarHBondContact O-NH2 2.95Å; L136-R287 HydrophobicContact CD1-CG 4.33Å; V142-R287 HydrophobicContact CG2-CG 4.19Å; C284-R287 PolarHBondContact O-N 3.4Å; K285-R287 VanDerWaalsContact C-N 3.29Å; K285-R287 PolarHBondContact O-N 2.8Å; R287-L289 PolarHBondContact O-N 3.01Å; R287-L291 PolarHBondContact NH1-O 3.45Å; R287-L291 PolarHBondContact NH2-O 3.21Å; R287-G292 PolarHBondContact NH1-O 3.17Å; R287-F294 HydrophobicContact CB-CB 4.42Å; R287-F294 HydrophobicContact CB-CD1 4.16Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.43Å; R287-F294 HydrophobicContact CB-CE2 4.21Å; R287-F294 HydrophobicContact CB-CG 3.9Å; R287-F294 HydrophobicContact CB-CZ 4.47Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å |
| 288 | P | 80.2 | Confident | 87.5 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | trans | -58.2 | 138.3 | 175.1 | -17.3 | 27.7 | 0 | 0 | 0 | 111 | N290 L291 | P288-N290 VanDerWaalsContact C-N 3.26Å; P288-N290 PolarHBondContact O-N 3.3Å; P288-L291 HydrophobicContact CB-CD1 3.74Å; P288-L291 HydrophobicContact CG-CD1 4.04Å; P288-L291 PolarHBondContact O-N 2.87Å | ||
| 289 | L | 77.5 | Confident | 87.6 | Confident | 71 Ų | 71 | 50.9 Ų | 50.9 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -61.9 | -34.4 | -175 | -60.1 | 178.7 | 0 | 0 | 0 | 112.7 | R287 L291 G292 P317 E319 | R287-L289 PolarHBondContact O-N 3.01Å; L289-L291 PolarHBondContact O-N 3.38Å; L289-G292 PolarHBondContact O-N 3.04Å; L289-G292 VanDerWaalsContact O-N 3.16Å; L289-P317 HydrophobicContact CD2-CB 4.47Å; L289-P317 HydrophobicContact CD2-CG 3.64Å; L289-E319 HydrophobicContact CB-CG 3.87Å; L289-E319 HydrophobicContact CD1-CG 4.43Å; L289-E319 VanDerWaalsContact O-OE1 3.08Å |
| 290 | N | 79.2 | Confident | 87.7 | Confident | 139 Ų | 139 | 50.9 Ų | 50.9 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58 | -12.4 | -175.8 | -53.6 | -3.1 | 0 | 0 | 0 | 115.3 | P288 E319 | P288-N290 VanDerWaalsContact C-N 3.26Å; P288-N290 PolarHBondContact O-N 3.3Å; N290-E319 VanDerWaalsContact CA-OE1 3.24Å; N290-E319 WeakPolarHBondContact CA-OE1 3.3Å; N290-E319 PolarHBondContact N-OE1 3.21Å; N290-E319 VanDerWaalsContact N-OE1 3.17Å |
| 291 | L | 76.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -96.9 | 12.1 | -177.1 | -69.1 | 98.8 | 0 | 0 | 0 | 113.7 | L136 R287 P288 L289 | L136-L291 HydrophobicContact CB-CD2 4.21Å; L136-L291 HydrophobicContact CD1-CD1 3.92Å; L136-L291 HydrophobicContact CD1-CD2 3.44Å; L136-L291 VanDerWaalsContact CD1-CD2 3.44Å; L136-L291 HydrophobicContact CD1-CG 4.22Å; L136-L291 HydrophobicContact CG-CD2 3.51Å; L136-L291 WeakPolarHBondContact O-CD2 3.5Å; R287-L291 PolarHBondContact NH1-O 3.45Å; R287-L291 PolarHBondContact NH2-O 3.21Å; P288-L291 HydrophobicContact CB-CD1 3.74Å; P288-L291 HydrophobicContact CG-CD1 4.04Å; P288-L291 PolarHBondContact O-N 2.87Å; L289-L291 PolarHBondContact O-N 3.38Å |
| 292 | G | 77.7 | Confident | 88 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | trans | 88.2 | -167.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R287 L289 F294 | R287-G292 PolarHBondContact NH1-O 3.17Å; L289-G292 PolarHBondContact O-N 3.04Å; L289-G292 VanDerWaalsContact O-N 3.16Å; G292-F294 PolarHBondContact O-N 2.92Å | ||
| 293 | P | 80 | Confident | 88.1 | Confident | 91 Ų | 91 | 52 Ų | 52 | 59% | 0.591 | 28% | 0.276 | S | S | * | . | trans | -67.4 | 118.9 | -169.6 | 27.3 | -34.1 | 0 | 0 | 0 | 111.5 | L316 | P293-L316 HydrophobicContact CB-CD1 4.27Š| ||
| 294 | F | 87.5 | Confident | 88.1 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -77.2 | -37.2 | 178 | -177.2 | -139.5 | 0 | 0 | 0 | 112.8 | L132 D133 M134 F145 V283 R287 G292 | L132-F294 WeakPolarHBondContact CA-O 3.26Å; L132-F294 HydrophobicContact CB-CE2 3.94Å; L132-F294 HydrophobicContact CB-CZ 4.02Å; L132-F294 HydrophobicContact CD1-CE1 4.09Å; L132-F294 HydrophobicContact CD1-CZ 3.76Å; L132-F294 HydrophobicContact CD2-CD1 4.44Å; L132-F294 HydrophobicContact CD2-CE1 4.19Å; L132-F294 HydrophobicContact CD2-CZ 4.31Å; L132-F294 HydrophobicContact CG-CZ 4.24Å; D133-F294 PolarHBondContact N-O 3.16Å; D133-F294 VanDerWaalsContact O-CD2 3.26Å; D133-F294 WeakPolarHBondContact O-CD2 3.31Å; D133-F294 WeakPolarHBondContact O-CE2 3.45Å; M134-F294 HydrophobicContact SD-CE2 3.65Å; M134-F294 HydrophobicContact SD-CZ 3.78Å; F145-F294 HydrophobicContact CE1-CE1 4.07Å; F145-F294 AromaticContact CE1-CZ 3.72Å; F145-F294 HydrophobicContact CE1-CZ 3.72Å; F145-F294 AromaticContact CZ-CE1 3.93Å; F145-F294 HydrophobicContact CZ-CE1 3.93Å; F145-F294 AromaticContact CZ-CZ 3.99Å; F145-F294 HydrophobicContact CZ-CZ 3.99Å; V283-F294 HydrophobicContact CG1-CD1 3.83Å; V283-F294 HydrophobicContact CG1-CE1 3.43Å; V283-F294 VanDerWaalsContact CG1-CE1 3.43Å; V283-F294 HydrophobicContact CG1-CZ 4.44Å; V283-F294 WeakPolarHBondContact O-CD1 3.47Å; V283-F294 WeakPolarHBondContact O-CE1 3.3Å; R287-F294 HydrophobicContact CB-CB 4.42Å; R287-F294 HydrophobicContact CB-CD1 4.16Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.43Å; R287-F294 HydrophobicContact CB-CE2 4.21Å; R287-F294 HydrophobicContact CB-CG 3.9Å; R287-F294 HydrophobicContact CB-CZ 4.47Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å; G292-F294 PolarHBondContact O-N 2.92Å |
| 295 | V | 90.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.1 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | L130 L132 A298 T312 L316 | L130-V295 HydrophobicContact CD2-CG1 4.05Å; L132-V295 HydrophobicContact CD2-CB 4.49Å; L132-V295 HydrophobicContact CD2-CG2 3.94Å; V295-A298 HydrophobicContact CG1-CB 4.3Å; V295-T312 HydrophobicContact CG1-CG2 4.2Å; V295-L316 HydrophobicContact CB-CD2 4.13Å; V295-L316 HydrophobicContact CG2-CD2 4.02Å |
| 296 | V | 89.9 | Confident | 88.3 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -42.3 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | T131 D133 | T131-V296 PolarHBondContact O-N 2.61Å; D133-V296 HydrophobicContact CB-CG2 3.63Å |
| 297 | R | 92 | Very high | 88.5 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 54% | 0.543 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 142.1 | -179.6 | -55.9 | -179.6 | -165.5 | 158.8 | 5.1 | 109.9 | L130 T131 F299 L309 | L130-R297 WeakPolarHBondContact CA-O 3.5Å; T131-R297 PolarHBondContact N-O 3.18Å; T131-R297 PolarHBondContact O-N 3.4Å; R297-F299 HydrophobicContact CB-CE2 4.12Å; R297-L309 HydrophobicContact CB-CD1 4.47Å |
| 298 | A | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L130 V295 L310 T312 | L130-A298 HydrophobicContact CD2-CB 3.47Å; L130-A298 VanDerWaalsContact CD2-CB 3.47Å; V295-A298 HydrophobicContact CG1-CB 4.3Å; A298-L310 HydrophobicContact CB-CB 4.18Å; A298-L310 HydrophobicContact CB-CD1 4.42Å; A298-L310 PolarHBondContact O-N 3.41Å; A298-T312 HydrophobicContact CB-CG2 4.06Å |
| 299 | F | 95.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.8 | 173.7 | -70.4 | -80.4 | 0 | 0 | 0 | 110.2 | D129 R297 L308 L309 | D129-F299 HydrophobicContact CB-CB 4.01Å; D129-F299 PolarHBondContact N-O 3Å; D129-F299 PolarHBondContact O-N 3.08Å; R297-F299 HydrophobicContact CB-CE2 4.12Å; F299-L308 CarbonylContact C-O 3.52Å; F299-L308 VanDerWaalsContact CA-O 3.29Å; F299-L308 WeakPolarHBondContact CA-O 3.37Å; F299-L309 HydrophobicContact CD1-CB 4.12Å; F299-L309 HydrophobicContact CD1-CD1 4.25Å; F299-L309 HydrophobicContact CE1-CB 3.69Å; F299-L309 HydrophobicContact CE1-CD1 3.75Å; F299-L309 HydrophobicContact CE1-CG 4.21Å; F299-L309 HydrophobicContact CE2-CD1 4.26Å; F299-L309 HydrophobicContact CZ-CB 4.48Å; F299-L309 HydrophobicContact CZ-CD1 3.77Å |
| 300 | L | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.2 | 170.3 | -163.1 | 67.8 | 0 | 0 | 0 | 108.9 | A107 I108 L111 V126 L128 I262 L276 L308 L310 | A107-L300 HydrophobicContact CB-CD2 4.17Å; I108-L300 HydrophobicContact CG1-CD2 3.82Å; L111-L300 HydrophobicContact CD1-CB 4.3Å; L111-L300 HydrophobicContact CD1-CD2 3.61Å; L111-L300 HydrophobicContact CD1-CG 3.58Å; V126-L300 HydrophobicContact CG1-CD1 3.71Å; V126-L300 HydrophobicContact CG1-CG 4.13Å; L128-L300 HydrophobicContact CD1-CD1 4.4Å; I262-L300 HydrophobicContact CD1-CD1 3.82Å; L276-L300 HydrophobicContact CD1-CD1 3.83Å; L300-L308 PolarHBondContact N-O 2.95Å; L300-L308 PolarHBondContact O-N 3.26Å; L300-L310 HydrophobicContact CB-CD1 4.01Å; L300-L310 HydrophobicContact CB-CD2 4.02Å; L300-L310 HydrophobicContact CB-CG 4.08Å |
| 301 | R | 96.4 | Very high | 91.3 | Very high | 59 Ų | 59 | 43 Ų | 43 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156 | 177.8 | 65.7 | 176.4 | 174.4 | 76.2 | 8.5 | 111.1 | V126 Y127 D129 S259 | V126-R301 CarbonylContact C-O 3.53Å; V126-R301 WeakPolarHBondContact CA-O 3.41Å; Y127-R301 VanDerWaalsContact CB-CZ 3.48Å; Y127-R301 PolarHBondContact N-O 3.43Å; Y127-R301 PolarHBondContact O-N 3.35Å; D129-R301 IonicContact OD1-CZ 3.59Å; D129-R301 IonicContact OD1-NE 3.89Å; D129-R301 IonicContact OD1-NH2 3.7Å; D129-R301 PolarHBondContact OD1-NH2 2.91Å; D129-R301 WeakPolarHBondContact OD2-CD 3.5Å; D129-R301 IonicContact OD2-CZ 3.14Å; D129-R301 IonicContact OD2-NE 2.62Å; D129-R301 PolarHBondContact OD2-NE 3Å; D129-R301 IonicContact OD2-NH2 2.83Å; S259-R301 PolarHBondContact OG-NH2 3.2Å |
| 302 | S | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -174.3 | 162.5 | 80.8 | 0 | 0 | 0 | 0 | 110.7 | Q124 G125 T304 S305 | Q124-S302 VanDerWaalsContact OE1-CB 3.25Å; Q124-S302 PolarHBondContact OE1-OG 3.24Å; G125-S302 CarbonylContact O-C 3.58Å; G125-S302 WeakPolarHBondContact O-CA 3.15Å; S302-T304 PolarHBondContact OG-N 3.14Å; S302-S305 PolarHBondContact N-OG 3.31Å; S302-S305 WeakPolarHBondContact OG-CB 3.29Å; S302-S305 PolarHBondContact OG-N 2.95Å; S302-S305 PolarHBondContact OG-OG 3.34Å; S302-S305 VanDerWaalsContact OG-OG 3.11Å |
| 303 | S | 94.4 | Very high | 92 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -69.9 | -27.2 | 175.6 | -53 | 0 | 0 | 0 | 0 | 111.5 | Q124 G125 Y127 | Q124-S303 VanDerWaalsContact OE1-N 3.07Å; G125-S303 PolarHBondContact N-OG 3.41Å; G125-S303 VanDerWaalsContact N-OG 3.09Å; G125-S303 PolarHBondContact O-N 3.28Å; G125-S303 PolarHBondContact O-OG 3.44Å; G125-S303 VanDerWaalsContact O-OG 3.04Å; Y127-S303 WeakPolarHBondContact CE2-OG 3.38Å |
| 304 | T | 93.9 | Very high | 92.1 | Very high | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -115.4 | -20.6 | -173.8 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | T120 Q124 S302 | T120-T304 HydrophobicContact CG2-CG2 3.76Å; T120-T304 WeakPolarHBondContact CG2-OG1 3.02Å; T120-T304 PolarHBondContact OG1-OG1 3.06Å; Q124-T304 PolarHBondContact NE2-OG1 2.89Å; Q124-T304 VanDerWaalsContact OE1-N 3.15Å; Q124-T304 PolarHBondContact OE1-OG1 3.31Å; S302-T304 PolarHBondContact OG-N 3.14Å |
| 305 | S | 91 | Very high | 91.7 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -82.5 | 168 | -174.4 | 78 | 0 | 0 | 0 | 0 | 113 | L111 S302 | L111-S305 WeakPolarHBondContact CD2-OG 3.43Å; S302-S305 PolarHBondContact N-OG 3.31Å; S302-S305 WeakPolarHBondContact OG-CB 3.29Å; S302-S305 PolarHBondContact OG-N 2.95Å; S302-S305 PolarHBondContact OG-OG 3.34Å; S302-S305 VanDerWaalsContact OG-OG 3.11Å |
| 306 | E | 90.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 46.8 Ų | 46.8 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 157.9 | 160 | 63.5 | 173 | -164.9 | 0 | 0 | 112.2 | K94 F114 | K94-E306 IonicContact NZ-OE1 3.83Å; K94-E306 IonicContact NZ-OE2 2.76Å; K94-E306 PolarHBondContact NZ-OE2 3.34Å; F114-E306 HydrophobicContact CE2-CG 4.26Å |
| 307 | G | 94 | Very high | 90.7 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 131.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R99 | R99-G307 PolarHBondContact NH2-O 3.38Š|
| 308 | L | 95.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.3 | 174.6 | -61 | -179.2 | 0 | 0 | 0 | 109.5 | Y102 A107 L110 L111 F114 F299 L300 | Y102-L308 HydrophobicContact CD2-CB 4.11Å; Y102-L308 HydrophobicContact CD2-CD2 4.18Å; Y102-L308 HydrophobicContact CE2-CD2 3.83Å; A107-L308 HydrophobicContact CB-CB 4.4Å; A107-L308 HydrophobicContact CB-CD1 4.05Å; A107-L308 WeakPolarHBondContact O-CD1 3.48Å; L110-L308 HydrophobicContact CB-CD1 3.78Å; L110-L308 HydrophobicContact CD1-CD1 4.26Å; L111-L308 HydrophobicContact CD2-CD1 3.94Å; L111-L308 HydrophobicContact CD2-CG 4.26Å; L111-L308 HydrophobicContact CG-CD1 3.96Å; F114-L308 HydrophobicContact CE2-CD1 4.13Å; F114-L308 HydrophobicContact CE2-CD2 3.91Å; F114-L308 HydrophobicContact CE2-CG 4.27Å; F114-L308 HydrophobicContact CZ-CD2 4.31Å; F299-L308 CarbonylContact C-O 3.52Å; F299-L308 VanDerWaalsContact CA-O 3.29Å; F299-L308 WeakPolarHBondContact CA-O 3.37Å; L300-L308 PolarHBondContact N-O 2.95Å; L300-L308 PolarHBondContact O-N 3.26Å |
| 309 | L | 95.5 | Very high | 88.2 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.7 | 176.6 | -178.1 | 55.8 | 0 | 0 | 0 | 109.1 | I101 Y102 R297 F299 | I101-L309 HydrophobicContact CG1-CD2 3.92Å; I101-L309 HydrophobicContact CG1-CG 4.32Å; I101-L309 HydrophobicContact CG2-CG 4.35Å; Y102-L309 PolarHBondContact N-O 3.34Å; R297-L309 HydrophobicContact CB-CD1 4.47Å; F299-L309 HydrophobicContact CD1-CB 4.12Å; F299-L309 HydrophobicContact CD1-CD1 4.25Å; F299-L309 HydrophobicContact CE1-CB 3.69Å; F299-L309 HydrophobicContact CE1-CD1 3.75Å; F299-L309 HydrophobicContact CE1-CG 4.21Å; F299-L309 HydrophobicContact CE2-CD1 4.26Å; F299-L309 HydrophobicContact CZ-CB 4.48Å; F299-L309 HydrophobicContact CZ-CD1 3.77Å |
| 310 | L | 95.5 | Very high | 86 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 148.5 | 179.6 | -61.6 | -176.4 | 0 | 0 | 0 | 111.7 | Y102 A107 L128 L276 A298 L300 T312 L315 | Y102-L310 CarbonylContact O-C 3.58Å; Y102-L310 WeakPolarHBondContact O-CA 3.2Å; A107-L310 HydrophobicContact CB-CD2 3.42Å; A107-L310 VanDerWaalsContact CB-CD2 3.42Å; L128-L310 HydrophobicContact CD1-CD1 4.4Å; L276-L310 HydrophobicContact CD1-CD1 3.86Å; A298-L310 HydrophobicContact CB-CB 4.18Å; A298-L310 HydrophobicContact CB-CD1 4.42Å; A298-L310 PolarHBondContact O-N 3.41Å; L300-L310 HydrophobicContact CB-CD1 4.01Å; L300-L310 HydrophobicContact CB-CD2 4.02Å; L300-L310 HydrophobicContact CB-CG 4.08Å; L310-T312 PolarHBondContact O-N 3.13Å; L310-L315 HydrophobicContact CD1-CD1 4.3Å |
| 311 | K | 92.6 | Very high | 83.4 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | trans | -67.5 | 115.3 | 163.8 | -66.3 | -173.2 | -171.7 | 173.4 | 0 | 108.5 | I101 Y102 E103 S314 | I101-K311 HydrophobicContact CB-CG 4.33Å; I101-K311 HydrophobicContact CG2-CB 4.14Å; I101-K311 HydrophobicContact CG2-CG 3.42Å; I101-K311 VanDerWaalsContact CG2-CG 3.42Å; Y102-K311 PolarHBondContact O-N 3.08Å; E103-K311 HydrophobicContact CG-CD 4Å; E103-K311 IonicContact OE1-NZ 2.73Å; E103-K311 PolarHBondContact OE1-NZ 3.42Å; K311-S314 PolarHBondContact O-OG 2.9Å | ||
| 312 | T | 85.7 | Confident | 80.4 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 17% | 0.172 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -77.8 | -33 | -178 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | V295 A298 L310 S314 L315 L316 | V295-T312 HydrophobicContact CG1-CG2 4.2Å; A298-T312 HydrophobicContact CB-CG2 4.06Å; L310-T312 PolarHBondContact O-N 3.13Å; T312-S314 PolarHBondContact O-N 3.38Å; T312-S314 VanDerWaalsContact O-N 3.16Å; T312-L315 WeakPolarHBondContact O-CB 3.41Å; T312-L315 PolarHBondContact O-N 2.76Å; T312-L316 PolarHBondContact O-N 3.22Å |
| 313 | D | 84.2 | Confident | 77.3 | Confident | 131 Ų | 131 | 71.4 Ų | 71.4 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.2 | -169.6 | -52.7 | -27.4 | 0 | 0 | 0 | 113.4 | L315 | D313-L315 VanDerWaalsContact C-N 3.34Š|
| 314 | S | 81.2 | Confident | 74.4 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 54% | 0.538 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.2 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | K311 T312 | K311-S314 PolarHBondContact O-OG 2.9Å; T312-S314 PolarHBondContact O-N 3.38Å; T312-S314 VanDerWaalsContact O-N 3.16Å |
| 315 | L | 79.9 | Confident | 71.6 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.3 | -172.2 | -71.7 | 167.8 | 0 | 0 | 0 | 113.2 | V104 L276 I280 L310 T312 D313 | V104-L315 HydrophobicContact CG2-CD1 3.86Å; V104-L315 HydrophobicContact CG2-CD2 3.76Å; V104-L315 HydrophobicContact CG2-CG 4.02Å; L276-L315 HydrophobicContact CD2-CD1 3.87Å; L276-L315 HydrophobicContact CD2-CD2 3.5Å; L276-L315 HydrophobicContact CD2-CG 4.31Å; I280-L315 HydrophobicContact CD1-CB 3.8Å; I280-L315 HydrophobicContact CD1-CD1 3.62Å; I280-L315 HydrophobicContact CD1-CD2 4.16Å; I280-L315 HydrophobicContact CD1-CG 4.07Å; I280-L315 HydrophobicContact CG2-CB 4.49Å; L310-L315 HydrophobicContact CD1-CD1 4.3Å; T312-L315 WeakPolarHBondContact O-CB 3.41Å; T312-L315 PolarHBondContact O-N 2.76Å; D313-L315 VanDerWaalsContact C-N 3.34Å |
| 316 | L | 81.6 | Confident | 68.9 | Low | 36 Ų | 36 | 83.5 Ų | 83.5 | 19% | 0.188 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -73.4 | 141.9 | -178.3 | -66.3 | 176 | 0 | 0 | 0 | 110.6 | P293 V295 T312 K318 | P293-L316 HydrophobicContact CB-CD1 4.27Å; V295-L316 HydrophobicContact CB-CD2 4.13Å; V295-L316 HydrophobicContact CG2-CD2 4.02Å; T312-L316 PolarHBondContact O-N 3.22Å; L316-K318 PolarHBondContact O-N 3.2Å; L316-K318 VanDerWaalsContact O-N 3.12Å |
| 317 | P | 76.7 | Confident | 66.3 | Low | 49 Ų | 49 | 83.8 Ų | 83.8 | 32% | 0.318 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 120.3 | 168.5 | 25.5 | -32.8 | 0 | 0 | 0 | 108.1 | C284 L289 E319 | C284-P317 HydrophobicContact CB-CG 3.9Å; L289-P317 HydrophobicContact CD2-CB 4.47Å; L289-P317 HydrophobicContact CD2-CG 3.64Å; P317-E319 PolarHBondContact O-N 3.04Å |
| 318 | K | 74.1 | Confident | 63.5 | Low | 185 Ų | 185 | 91 Ų | 91 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 129.2 | 172.4 | -64.5 | 179.4 | -178 | 176.8 | 0 | 106.8 | L316 A320 | L316-K318 PolarHBondContact O-N 3.2Å; L316-K318 VanDerWaalsContact O-N 3.12Å; K318-A320 PolarHBondContact O-N 3.13Å |
| 319 | E | 61 | Low | 60.7 | Low | 96 Ų | 96 | 99 Ų | 99 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 132 | 158.7 | -68.7 | -179.7 | 174.8 | 0 | 0 | 106.4 | L289 N290 P317 K321 | L289-E319 HydrophobicContact CB-CG 3.87Å; L289-E319 HydrophobicContact CD1-CG 4.43Å; L289-E319 VanDerWaalsContact O-OE1 3.08Å; N290-E319 VanDerWaalsContact CA-OE1 3.24Å; N290-E319 WeakPolarHBondContact CA-OE1 3.3Å; N290-E319 PolarHBondContact N-OE1 3.21Å; N290-E319 VanDerWaalsContact N-OE1 3.17Å; P317-E319 PolarHBondContact O-N 3.04Å; E319-K321 PolarHBondContact O-N 3.45Å |
| 320 | A | 50.2 | Low | 58 | Low | 96 Ų | 96 | 102.9 Ų | 102.9 | 79% | 0.793 | 56% | 0.556 | S | S | * | * | trans | -59.8 | 92.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105 | K318 T322 | K318-A320 PolarHBondContact O-N 3.13Å; A320-T322 VanDerWaalsContact C-N 3.27Å; A320-T322 PolarHBondContact O-N 3.25Å | ||
| 321 | K | 42.5 | Very low | 55.6 | Low | 183 Ų | 183 | 110.6 Ų | 110.6 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | trans | -53.1 | 110.1 | 157.9 | -69.8 | -175.8 | 178.1 | -175.5 | 0 | 102.6 | E319 T323 | E319-K321 PolarHBondContact O-N 3.45Å; K321-T323 PolarHBondContact O-N 3.06Å | ||
| 322 | T | 31.7 | Very low | 53.2 | Low | 110 Ų | 110 | 111.9 Ų | 111.9 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | trans | -51.4 | 98.3 | 166.1 | -1.8 | 0 | 0 | 0 | 0 | 104.9 | A320 E324 | A320-T322 VanDerWaalsContact C-N 3.27Å; A320-T322 PolarHBondContact O-N 3.25Å; T322-E324 HydrophobicContact CG2-CG 4.06Å; T322-E324 PolarHBondContact O-N 3.07Å | ||
| 323 | T | 31.3 | Very low | 51.3 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | trans | -69 | 70.2 | 160.1 | 39 | 0 | 0 | 0 | 0 | 105.6 | K321 A325 | K321-T323 PolarHBondContact O-N 3.06Å; T323-A325 VanDerWaalsContact C-N 3.26Å | ||
| 324 | E | 33.8 | Very low | 49.4 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -89.5 | 1.9 | 157.9 | -74.6 | -175.7 | 170.5 | 0 | 0 | 110.4 | T322 | T322-E324 HydrophobicContact CG2-CG 4.06Å; T322-E324 PolarHBondContact O-N 3.07Å | ||
| 325 | A | 34.8 | Very low | 47.8 | Very low | 94 Ų | 94 | 118 Ų | 118 | 78% | 0.777 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 8.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | T323 | T323-A325 VanDerWaalsContact C-N 3.26Š|
| 326 | E | 35 | Very low | 46.5 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 12.1 | 171.9 | -73.6 | -172.8 | 178.1 | 0 | 0 | 113.8 | ||
| 327 | T | 35.1 | Very low | 44.7 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -110.8 | 8 | 173.8 | 15 | 0 | 0 | 0 | 0 | 115.6 | ||
| 328 | E | 35.6 | Very low | 43 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -108 | -5.5 | 176.5 | -73.4 | -165.4 | 162.7 | 0 | 0 | 115.9 | ||
| 329 | E | 35.7 | Very low | 41.3 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -102.4 | -5.7 | 178 | -69.4 | -167.3 | 170.4 | 0 | 0 | 115.4 | ||
| 330 | T | 39.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -91.9 | 0.8 | 172.7 | 36.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 331 | Q | 45.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -104.9 | -1.2 | 177.2 | -68.5 | -168.3 | 2.2 | 0 | 0 | 115.6 | ||
| 332 | T | 41.6 | Very low | 39.3 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -110.1 | -3.5 | 176.7 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 333 | A | 46.2 | Very low | 39.9 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -92.4 | -8.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 334 | E | 45.6 | Very low | 40.5 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -107.2 | 10.5 | 177.8 | -83.9 | -170.7 | 158.5 | 0 | 0 | 114.4 | ||
| 335 | A | 46.6 | Very low | 41.1 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -124.7 | 18.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 336 | A | 52.2 | Low | 41.7 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 100% | 1.306 | 79% | 0.794 | S | S | * | * | trans | -137.1 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 336 of 336 residues in 635.3 ms
(Link to these results)