| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 30.1 | Very low | 239 Ų | 239 | 157.4 Ų | 157.4 | 100% | 1.177 | 84% | 0.835 | S | S | * | * | 0 | 150.5 | 0 | -88.9 | 179.2 | 159.4 | 0 | 0 | 108 | |||||
| 2 | S | 30.5 | Very low | 30 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | 72.8 | 145.5 | -161.9 | 95 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | P | 49.9 | Very low | 29.9 | Very low | 121 Ų | 121 | 163.9 Ų | 163.9 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | -135.7 | -179 | -124 | 41.4 | -24.2 | 0 | 0 | 0 | 117.5 | |||||
| 4 | F | 29.6 | Very low | 29.5 | Very low | 186 Ų | 186 | 158 Ų | 158 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | trans | -37.4 | 149.8 | 165.4 | -82.4 | -110 | 0 | 0 | 0 | 115.9 | ||||
| 5 | N | 30.3 | Very low | 29.4 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | trans | -143.2 | 142.7 | 138.6 | -120 | -16.5 | 0 | 0 | 0 | 110.4 | ||||
| 6 | M | 27.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 154 Ų | 154 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | trans | -142.5 | 160.3 | -173.9 | -168.9 | 179.9 | 67.6 | 0 | 0 | 109.6 | ||||
| 7 | V | 28.3 | Very low | 29.2 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 64% | 0.642 | 84% | 0.841 | S | S | * | * | trans | 80.4 | 113.3 | 165.5 | -166.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 8 | S | 25.4 | Very low | 29 | Very low | 119 Ų | 119 | 157.1 Ų | 157.1 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | -164.3 | 137.9 | 107.8 | -80.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 9 | F | 24.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 76% | 0.759 | 84% | 0.844 | S | S | * | * | trans | -77.3 | 161.5 | 174.6 | -94 | -113.5 | 0 | 0 | 0 | 111.7 | F11 | F9-F11 HydrophobicContact CD1-CD2 4.28Š| ||
| 10 | N | 25 | Very low | 28.7 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -146.3 | 145.2 | 143.2 | -111.8 | -34.2 | 0 | 0 | 0 | 111.8 | ||||
| 11 | F | 24.3 | Very low | 28.6 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | trans | -139.4 | 121.3 | -165.5 | -143 | -78 | 0 | 0 | 0 | 109.2 | F9 | F9-F11 HydrophobicContact CD1-CD2 4.28Š| ||
| 12 | I | 28.7 | Very low | 28.1 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -140.9 | 107.1 | 171.9 | -56.1 | -180 | 0 | 0 | 0 | 106.2 | ||||
| 13 | R | 27.8 | Very low | 28 | Very low | 238 Ų | 238 | 151.3 Ų | 151.3 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | 74.5 | 117.1 | 61.1 | -101.2 | -168.6 | 175.5 | -165.5 | 0.7 | 116.2 | |||||
| 14 | G | 25.3 | Very low | 26.8 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 119.1 | 134.5 | 162 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 15 | A | 27.5 | Very low | 26.8 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | cis | -156.7 | 158.5 | -11.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | L | 27.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -83 | 155.1 | 171 | -87.1 | 78.9 | 0 | 0 | 0 | 111.5 | ||||
| 17 | T | 27.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -135.5 | 141.8 | 141.6 | -21.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 18 | R | 26.7 | Very low | 26.4 | Very low | 215 Ų | 215 | 147 Ų | 147 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -120.7 | 147.1 | -174.3 | -108.2 | -175.6 | 174.3 | -173.2 | 0.2 | 110.1 | ||||
| 19 | L | 27 | Very low | 26.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -161.4 | 135.9 | 146.5 | -88.6 | 123.6 | 0 | 0 | 0 | 107.4 | ||||
| 20 | G | 24.9 | Very low | 26.4 | Very low | 61 Ų | 61 | 146.5 Ų | 146.5 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | cis | 129.8 | 121.3 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | V | 27 | Very low | 26.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | 73.1 | 137.9 | 157.9 | 175.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 22 | K | 25.7 | Very low | 26.4 | Very low | 174 Ų | 174 | 145 Ų | 145 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | cis | -154 | 143.8 | -11.6 | -113 | 175.1 | -173.3 | 173.2 | 0 | 107.8 | ||||
| 23 | I | 28.1 | Very low | 26.2 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | 50.9 | 124 | 93 | -51.8 | -179.4 | 0 | 0 | 0 | 117.2 | |||||
| 24 | G | 24.5 | Very low | 26.1 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -165.1 | 117.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 25 | K | 29.8 | Very low | 25.9 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -105.2 | 146.8 | 165.4 | -83.5 | -178.4 | 174.4 | -177.9 | 0 | 108.1 | ||||
| 26 | H | 26 | Very low | 25.8 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -157.2 | 161.7 | 142.7 | -110 | -71.6 | 0 | 0 | 0 | 112.8 | ||||
| 27 | S | 26.5 | Very low | 25.8 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -94.4 | 155 | -170.2 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 28 | G | 24.8 | Very low | 25.9 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -73.7 | -176.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 29 | L | 25.7 | Very low | 26.1 | Very low | 183 Ų | 183 | 139 Ų | 139 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -157.2 | 163.7 | 156.1 | -107.6 | 166.2 | 0 | 0 | 0 | 109.5 | ||||
| 30 | S | 23.5 | Very low | 26.1 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -97.5 | 141.5 | -172 | 160.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | E | 25.8 | Very low | 26.2 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -143.7 | 148.8 | 156.5 | -116.2 | 174.2 | -161.4 | 0 | 0 | 110.9 | ||||
| 32 | T | 24.8 | Very low | 26.2 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 68% | 0.681 | 82% | 0.819 | S | S | * | * | trans | -130.3 | 163.2 | -165.5 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 33 | L | 23.3 | Very low | 26.2 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | 69.7 | 128.2 | 177.6 | -72.3 | 103.1 | 0 | 0 | 0 | 115.4 | ||||
| 34 | L | 25.4 | Very low | 26.1 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | -148 | 172.3 | 58.7 | -93.7 | 165.7 | 0 | 0 | 0 | 114.9 | |||||
| 35 | W | 22.8 | Very low | 26.5 | Very low | 249 Ų | 249 | 149 Ų | 149 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -67.3 | 148.5 | -170.8 | -103.9 | 24.6 | 0 | 0 | 0 | 116.6 | ||||
| 36 | G | 25.5 | Very low | 26.2 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -165.1 | 102.4 | 161 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | A | 27.5 | Very low | 26.4 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -82.1 | 130.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 38 | A | 28.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -147.7 | 143.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | T | 30.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 151 Ų | 151 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 147 | -167.5 | 39.2 | 0 | 0 | 0 | 0 | 114 | V41 | T39-V41 PolarHBondContact O-N 2.68Š| ||
| 40 | P | 27.1 | Very low | 26.9 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -77.2 | 107.2 | 173 | 30.9 | -32.6 | 0 | 0 | 0 | 110.5 | R42 | P40-R42 PolarHBondContact O-N 2.75Å; P40-R42 VanDerWaalsContact O-N 3.09Å | ||
| 41 | V | 27.8 | Very low | 27.3 | Very low | 125 Ų | 125 | 155 Ų | 155 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | -68.6 | 107.1 | 168.2 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | T39 I43 | T39-V41 PolarHBondContact O-N 2.68Å; V41-I43 PolarHBondContact O-N 2.92Å | ||
| 42 | R | 25.8 | Very low | 27.7 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -60.6 | 99.6 | 167.8 | -77.6 | 178.7 | 167.5 | 178.7 | -4.4 | 109.4 | P40 R44 | P40-R42 PolarHBondContact O-N 2.75Å; P40-R42 VanDerWaalsContact O-N 3.09Å; R42-R44 PolarHBondContact O-N 3.05Å | ||
| 43 | I | 27.2 | Very low | 28 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 105.5 | 166 | -67 | 167.2 | 0 | 0 | 0 | 107.4 | V41 V45 | V41-I43 PolarHBondContact O-N 2.92Å; I43-V45 PolarHBondContact O-N 2.72Å | ||
| 44 | R | 26.1 | Very low | 28.6 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -72.9 | 110 | -178.2 | -169.6 | 177.9 | -170.5 | 173.1 | 2.2 | 108.5 | R42 R46 | R42-R44 PolarHBondContact O-N 3.05Å; R44-R46 PolarHBondContact O-N 3.14Å | ||
| 45 | V | 31.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -55 | 111 | 171.2 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | I43 | I43-V45 PolarHBondContact O-N 2.72Š| ||
| 46 | R | 24.6 | Very low | 29.9 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -97.3 | 98.8 | 163.4 | -92.2 | -174.4 | 166.2 | 174.6 | -4.4 | 107.4 | R44 Y48 | R44-R46 PolarHBondContact O-N 3.14Å; R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 HydrophobicContact CB-CD2 4.4Å; R46-Y48 PolarHBondContact O-N 3.39Å | ||
| 47 | S | 29.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -62.9 | 95.4 | 162.5 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | T49 | S47-T49 VanDerWaalsContact C-N 3.3Å; S47-T49 PolarHBondContact O-N 2.91Å; S47-T49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | Y | 24.5 | Very low | 32.9 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -76.9 | 90.6 | 160.2 | -96 | -91.6 | 0 | 0 | 0 | 107.7 | R46 Q50 | R46-Y48 VanDerWaalsContact C-N 3.33Å; R46-Y48 HydrophobicContact CB-CD2 4.4Å; R46-Y48 PolarHBondContact O-N 3.39Å; Y48-Q50 PolarHBondContact O-N 3.31Å | ||
| 49 | T | 31.3 | Very low | 35.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -64.4 | 88.4 | 153.7 | 40.3 | 0 | 0 | 0 | 0 | 107.3 | S47 E51 | S47-T49 VanDerWaalsContact C-N 3.3Å; S47-T49 PolarHBondContact O-N 2.91Å; S47-T49 VanDerWaalsContact O-N 3.14Å; T49-E51 PolarHBondContact O-N 3.16Å | ||
| 50 | Q | 31.4 | Very low | 38.6 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -76.6 | 104.1 | 163.5 | -140.9 | 174.5 | -0.3 | 0 | 0 | 105.9 | Y48 S52 | Y48-Q50 PolarHBondContact O-N 3.31Å; Q50-S52 PolarHBondContact O-N 3.33Å | ||
| 51 | E | 33.3 | Very low | 42 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | trans | -64.4 | 91.7 | 165.4 | -69.9 | -178 | 137.3 | 0 | 0 | 107.4 | T49 G53 | T49-E51 PolarHBondContact O-N 3.16Å; E51-G53 PolarHBondContact O-N 3.24Å | ||
| 52 | S | 34.2 | Very low | 45.3 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | trans | -65.4 | 113.1 | 169.4 | 56.1 | 0 | 0 | 0 | 0 | 107.8 | Q50 K54 | Q50-S52 PolarHBondContact O-N 3.33Å; S52-K54 PolarHBondContact O-N 2.91Å | ||
| 53 | G | 30.4 | Very low | 48.7 | Very low | 72 Ų | 72 | 114.1 Ų | 114.1 | 74% | 0.742 | 59% | 0.594 | S | S | * | * | trans | -51.7 | 137 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E51 D55 | E51-G53 PolarHBondContact O-N 3.24Å; G53-D55 PolarHBondContact O-N 3.45Å | ||
| 54 | K | 36.7 | Very low | 52.1 | Low | 206 Ų | 206 | 110 Ų | 110 | 90% | 0.896 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -74.1 | 88.9 | 170.8 | -71.1 | 177.6 | 176.6 | 176.7 | 0 | 109.4 | S52 | S52-K54 PolarHBondContact O-N 2.91Š|
| 55 | D | 37.5 | Very low | 55.6 | Low | 137 Ų | 137 | 99.7 Ų | 99.7 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | trans | -145.4 | 72.3 | 159.6 | -83.7 | -44.9 | 0 | 0 | 0 | 109.3 | G53 H57 | G53-D55 PolarHBondContact O-N 3.45Å; D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.19Å | ||
| 56 | G | 37.9 | Very low | 58.7 | Low | 74 Ų | 74 | 97.5 Ų | 97.5 | 76% | 0.763 | 52% | 0.521 | S | S | * | . | trans | -78 | 71.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G58 Q222 | G56-G58 PolarHBondContact O-N 3.04Å; G56-Q222 PolarHBondContact O-NE2 3.16Å | ||
| 57 | H | 53.5 | Low | 62.2 | Low | 150 Ų | 150 | 89.9 Ų | 89.9 | 69% | 0.694 | 49% | 0.493 | S | S | * | . | trans | -62.2 | 120.7 | 167.1 | -66.7 | -80.2 | 0 | 0 | 0 | 109.5 | D55 Q59 | D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.19Å; H57-Q59 PolarHBondContact O-N 3.06Å | ||
| 58 | G | 61.2 | Low | 65.6 | Low | 4 Ų | 4 | 85.6 Ų | 85.6 | 4% | 0.041 | 46% | 0.462 | C | S | . | . | trans | -70 | 122.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G56 F60 Q171 S220 Q222 | G56-G58 PolarHBondContact O-N 3.04Å; G58-F60 PolarHBondContact O-N 3.41Å; G58-Q171 WeakPolarHBondContact O-CG 3.42Å; G58-Q171 PolarHBondContact O-NE2 3.08Å; G58-Q171 PolarHBondContact O-OE1 3.44Å; G58-Q171 VanDerWaalsContact O-OE1 3.04Å; G58-S220 CarbonylContact C-O 3.51Å; G58-S220 VanDerWaalsContact C-O 3.23Å; G58-S220 WeakPolarHBondContact CA-O 3.09Å; G58-Q222 VanDerWaalsContact N-NE2 3.16Å | ||
| 59 | Q | 86.9 | Confident | 69.1 | Low | 101 Ų | 101 | 77.4 Ų | 77.4 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -57.5 | -23.2 | 179.5 | -172.8 | 177 | -1.7 | 0 | 0 | 113.4 | H57 S170 Q171 S220 | H57-Q59 PolarHBondContact O-N 3.06Å; Q59-S170 WeakPolarHBondContact O-CA 3.23Å; Q59-S170 PolarHBondContact O-OG 2.74Å; Q59-S170 VanDerWaalsContact O-OG 3.11Å; Q59-Q171 PolarHBondContact O-N 2.89Å; Q59-S220 PolarHBondContact N-O 2.86Å |
| 60 | F | 93.6 | Very high | 72.3 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 4% | 0.039 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152 | -179.4 | -56.3 | -75.8 | 0 | 0 | 0 | 112.1 | G58 V168 L169 P182 W204 I218 S220 C221 Q222 | G58-F60 PolarHBondContact O-N 3.41Å; F60-V168 HydrophobicContact CB-CG1 4.05Å; F60-V168 HydrophobicContact CD1-CG1 4.43Å; F60-V168 HydrophobicContact CG-CG1 4.46Å; F60-L169 CarbonylContact C-O 3.53Å; F60-L169 WeakPolarHBondContact CA-O 3.49Å; F60-P182 HydrophobicContact CD1-CG 3.74Å; F60-P182 HydrophobicContact CD2-CB 4.27Å; F60-P182 HydrophobicContact CD2-CG 4.03Å; F60-P182 HydrophobicContact CE1-CG 3.6Å; F60-P182 HydrophobicContact CE2-CB 3.98Å; F60-P182 HydrophobicContact CE2-CG 3.9Å; F60-P182 HydrophobicContact CG-CG 3.96Å; F60-P182 HydrophobicContact CZ-CB 4.11Å; F60-P182 HydrophobicContact CZ-CG 3.68Å; F60-W204 HydrophobicContact CD1-CZ3 4.19Å; F60-W204 HydrophobicContact CE1-CH2 4.38Å; F60-W204 AromaticContact CE1-CZ3 3.92Å; F60-W204 HydrophobicContact CE1-CZ3 3.92Å; F60-I218 HydrophobicContact CD2-CG2 4.19Å; F60-S220 PolarHBondContact N-O 3.29Å; F60-C221 HydrophobicContact CB-CB 4.36Å; F60-C221 CarbonylContact O-C 3.55Å; F60-C221 WeakPolarHBondContact O-CA 3.29Å; F60-C221 PolarHBondContact O-SG 2.54Å; F60-Q222 PolarHBondContact O-N 2.97Å |
| 61 | I | 96.6 | Very high | 75.5 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.1 | 169.8 | -50.2 | 174 | 0 | 0 | 0 | 109.1 | Y63 V168 L169 Q171 C221 Q222 G224 | I61-Y63 HydrophobicContact CB-CD2 4.37Å; I61-Y63 HydrophobicContact CB-CE2 3.62Å; I61-Y63 WeakPolarHBondContact CD1-OH 3.14Å; I61-Y63 HydrophobicContact CG2-CD1 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.05Å; I61-Y63 HydrophobicContact CG2-CE1 3.8Å; I61-Y63 HydrophobicContact CG2-CE2 3.48Å; I61-Y63 VanDerWaalsContact CG2-CE2 3.48Å; I61-Y63 HydrophobicContact CG2-CG 4.43Å; I61-V168 WeakPolarHBondContact O-CA 3.31Å; I61-L169 PolarHBondContact N-O 2.75Å; I61-L169 PolarHBondContact O-N 3.09Å; I61-Q171 HydrophobicContact CD1-CG 3.82Å; I61-Q171 HydrophobicContact CG1-CG 3.66Å; I61-Q171 VanDerWaalsContact CG1-NE2 3.29Å; I61-C221 VanDerWaalsContact C-SG 3.58Å; I61-Q222 CarbonylContact C-O 3.58Å; I61-Q222 WeakPolarHBondContact CA-O 3.44Å; I61-G224 VanDerWaalsContact CG2-CA 3.45Å |
| 62 | C | 97.6 | Very high | 78.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.1 | -179.9 | -67 | 0 | 0 | 0 | 0 | 108.4 | W166 P214 C221 Q222 K223 G224 | C62-W166 HydrophobicContact CB-CE3 4.49Å; C62-P214 HydrophobicContact CB-CB 4.25Å; C62-P214 HydrophobicContact CB-CG 4.03Å; C62-C221 HydrophobicContact CB-CB 4.44Å; C62-C221 WeakPolarHBondContact CB-SG 3.44Å; C62-C221 PolarHBondContact N-SG 2.64Å; C62-C221 WeakPolarHBondContact SG-CB 3.43Å; C62-C221 CovalentContact SG-SG 2.05Å; C62-C221 PolarHBondContact SG-SG 2.79Å; C62-Q222 PolarHBondContact N-O 3.06Å; C62-K223 WeakPolarHBondContact O-CA 3.47Å; C62-G224 PolarHBondContact O-N 3.37Å |
| 63 | Y | 98.3 | Very high | 81.5 | Confident | 17 Ų | 17 | 51 Ų | 51 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126 | -178.5 | -60.9 | -86.4 | 0 | 0 | 0 | 110.5 | I61 W166 A167 L169 D225 D228 Y229 | I61-Y63 HydrophobicContact CB-CD2 4.37Å; I61-Y63 HydrophobicContact CB-CE2 3.62Å; I61-Y63 WeakPolarHBondContact CD1-OH 3.14Å; I61-Y63 HydrophobicContact CG2-CD1 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.05Å; I61-Y63 HydrophobicContact CG2-CE1 3.8Å; I61-Y63 HydrophobicContact CG2-CE2 3.48Å; I61-Y63 VanDerWaalsContact CG2-CE2 3.48Å; I61-Y63 HydrophobicContact CG2-CG 4.43Å; Y63-W166 VanDerWaalsContact C-CE3 3.42Å; Y63-W166 CarbonylContact O-C 3.53Å; Y63-W166 WeakPolarHBondContact O-CA 3.35Å; Y63-A167 PolarHBondContact N-O 2.76Å; Y63-A167 PolarHBondContact O-N 3.45Å; Y63-L169 HydrophobicContact CD2-CD1 4.28Å; Y63-L169 HydrophobicContact CD2-CG 4.23Å; Y63-L169 HydrophobicContact CE2-CB 4.12Å; Y63-L169 HydrophobicContact CE2-CD1 3.67Å; Y63-L169 HydrophobicContact CE2-CG 3.87Å; Y63-D225 WeakPolarHBondContact CD1-O 3.5Å; Y63-D225 WeakPolarHBondContact CE1-O 3.39Å; Y63-D228 HydrophobicContact CE1-CB 4.02Å; Y63-Y229 HydrophobicContact CD2-CD2 4.48Å; Y63-Y229 HydrophobicContact CG-CD2 4.45Å |
| 64 | Q | 98.4 | Very high | 84.5 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135 | 172 | -161.6 | 171 | -0.2 | 0 | 0 | 108.8 | P66 W166 T226 | Q64-P66 WeakPolarHBondContact O-CD 3.16Å; Q64-W166 VanDerWaalsContact CA-CE3 3.49Å; Q64-W166 HydrophobicContact CB-CD2 4.13Å; Q64-W166 HydrophobicContact CB-CE3 3.75Å; Q64-W166 HydrophobicContact CB-CH2 3.76Å; Q64-W166 HydrophobicContact CB-CZ2 4.12Å; Q64-W166 HydrophobicContact CB-CZ3 3.57Å; Q64-W166 HydrophobicContact CG-CD2 4.2Å; Q64-W166 HydrophobicContact CG-CE3 4.3Å; Q64-W166 HydrophobicContact CG-CH2 3.92Å; Q64-W166 HydrophobicContact CG-CZ2 3.78Å; Q64-W166 HydrophobicContact CG-CZ3 4.18Å; Q64-W166 VanDerWaalsContact N-CE3 3.32Å; Q64-T226 PolarHBondContact O-OG1 3.39Å |
| 65 | L | 98.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | -111.1 | 72.6 | -177.4 | -49.2 | -170.7 | 0 | 0 | 0 | 110.9 | H67 R68 V165 A167 Y229 | L65-H67 PolarHBondContact O-N 2.93Å; L65-R68 HydrophobicContact CB-CB 4.16Å; L65-R68 HydrophobicContact CB-CG 3.92Å; L65-R68 HydrophobicContact CD1-CG 4.24Å; L65-R68 PolarHBondContact O-N 3.23Å; L65-V165 HydrophobicContact CB-CB 4.38Å; L65-V165 HydrophobicContact CB-CG1 4.38Å; L65-V165 HydrophobicContact CD1-CG1 4.08Å; L65-V165 PolarHBondContact N-O 2.88Å; L65-A167 HydrophobicContact CD1-CB 4.15Å; L65-A167 HydrophobicContact CD2-CB 4.17Å; L65-A167 HydrophobicContact CG-CB 4.46Å; L65-Y229 HydrophobicContact CD1-CE1 4.36Å; L65-Y229 HydrophobicContact CD1-CE2 4.35Å; L65-Y229 HydrophobicContact CD2-CD1 3.7Å; L65-Y229 HydrophobicContact CD2-CD2 3.97Å; L65-Y229 HydrophobicContact CD2-CE1 3.66Å; L65-Y229 HydrophobicContact CD2-CE2 3.92Å; L65-Y229 HydrophobicContact CD2-CG 3.85Å | ||
| 66 | P | 97.9 | Very high | 89.8 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 57% | 0.571 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.3 | -178 | 30.1 | -37.2 | 0 | 0 | 0 | 113.6 | Q64 R68 S136 | Q64-P66 WeakPolarHBondContact O-CD 3.16Å; P66-R68 PolarHBondContact O-N 2.91Å; P66-S136 PolarHBondContact O-OG 2.67Å |
| 67 | H | 98.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.4 | 171.1 | 65.8 | -71.9 | 0 | 0 | 0 | 113.3 | L65 D135 S136 Y229 H230 E240 | L65-H67 PolarHBondContact O-N 2.93Å; H67-D135 WeakPolarHBondContact O-CA 3.34Å; H67-S136 WeakPolarHBondContact CA-OG 3.34Å; H67-S136 PolarHBondContact O-N 2.67Å; H67-S136 PolarHBondContact O-OG 3.33Å; H67-Y229 AromaticContact CE1-CE1 3.85Å; H67-Y229 AromaticContact NE2-CE1 3.93Å; H67-H230 AromaticContact CE1-CE1 3.81Å; H67-H230 AromaticContact CE1-NE2 4Å; H67-H230 AromaticContact NE2-CE1 3.81Å; H67-E240 IonicContact CD2-OE1 3.99Å; H67-E240 IonicContact CE1-OE1 2.67Å; H67-E240 IonicContact NE2-OE1 3.87Å; H67-E240 PolarHBondContact NE2-OE1 2.99Å |
| 68 | R | 98.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141 | 175.9 | -53.7 | -60.9 | -73.6 | -176.8 | -0.3 | 110.2 | L65 P66 D115 E133 C134 V165 | L65-R68 HydrophobicContact CB-CB 4.16Å; L65-R68 HydrophobicContact CB-CG 3.92Å; L65-R68 HydrophobicContact CD1-CG 4.24Å; L65-R68 PolarHBondContact O-N 3.23Å; P66-R68 PolarHBondContact O-N 2.91Å; R68-D115 IonicContact CZ-OD2 3.96Å; R68-D115 IonicContact NH1-OD1 3.43Å; R68-D115 IonicContact NH1-OD2 3.85Å; R68-D115 PolarHBondContact NH1-OD2 3.28Å; R68-D115 PolarHBondContact NH2-O 3.39Å; R68-D115 IonicContact NH2-OD2 2.9Å; R68-D115 PolarHBondContact NH2-OD2 3.21Å; R68-E133 HydrophobicContact CB-CG 4.04Å; R68-E133 IonicContact CZ-OE1 3.77Å; R68-E133 IonicContact NE-OE1 3.86Å; R68-E133 PolarHBondContact NE-OE1 3.39Å; R68-E133 IonicContact NH2-OE1 2.77Å; R68-E133 PolarHBondContact NH2-OE1 3.4Å; R68-C134 CarbonylContact C-O 3.53Å; R68-C134 WeakPolarHBondContact CA-O 3.38Å; R68-V165 HydrophobicContact CB-CB 4.26Å; R68-V165 HydrophobicContact CB-CG1 4.28Å; R68-V165 HydrophobicContact CB-CG2 4.35Å |
| 69 | T | 98.5 | Very high | 96 | Very high | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 166.1 | 178.8 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | L71 E133 C134 E139 | T69-L71 HydrophobicContact CG2-CD1 4.49Å; T69-E133 VanDerWaalsContact O-CA 3.31Å; T69-E133 WeakPolarHBondContact O-CA 3.46Å; T69-C134 PolarHBondContact N-O 2.79Å; T69-C134 PolarHBondContact O-N 3.1Å; T69-E139 HydrophobicContact CG2-CB 3.84Å |
| 70 | L | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.6 | -177.5 | -69 | 166.7 | 0 | 0 | 0 | 112.1 | Y119 F131 L132 E133 C160 L163 V165 V207 | L70-Y119 HydrophobicContact CD2-CD2 4.49Å; L70-Y119 HydrophobicContact CD2-CE2 4.29Å; L70-F131 HydrophobicContact CD2-CB 4.24Å; L70-L132 WeakPolarHBondContact CA-O 3.13Å; L70-E133 HydrophobicContact CD2-CB 3.8Å; L70-E133 HydrophobicContact CD2-CG 4.35Å; L70-C160 HydrophobicContact CB-CB 4.11Å; L70-C160 PolarHBondContact O-N 3.45Å; L70-L163 HydrophobicContact CD1-CB 3.85Å; L70-L163 HydrophobicContact CD1-CD1 3.92Å; L70-V165 HydrophobicContact CD1-CG2 3.85Å; L70-V165 HydrophobicContact CD2-CG2 4.28Å; L70-V165 HydrophobicContact CG-CG2 3.75Å; L70-V207 HydrophobicContact CD1-CB 4.28Å; L70-V207 HydrophobicContact CD1-CG1 3.37Å; L70-V207 HydrophobicContact CD1-CG2 3.83Å |
| 71 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132 | 164.8 | -71.6 | 70.9 | 0 | 0 | 0 | 109 | T69 F131 L132 I142 L143 L146 I157 S158 L159 | T69-L71 HydrophobicContact CG2-CD1 4.49Å; L71-F131 CarbonylContact O-C 3.57Å; L71-F131 WeakPolarHBondContact O-CA 3.42Å; L71-L132 HydrophobicContact CB-CB 4.37Å; L71-L132 PolarHBondContact N-O 2.91Å; L71-L132 PolarHBondContact O-N 2.94Å; L71-I142 HydrophobicContact CD1-CG2 4.35Å; L71-I142 HydrophobicContact CD2-CG2 4.07Å; L71-L143 HydrophobicContact CD2-CD2 3.67Å; L71-L143 HydrophobicContact CD2-CG 3.99Å; L71-L143 HydrophobicContact CG-CD2 4.41Å; L71-L146 HydrophobicContact CD2-CD1 4.13Å; L71-I157 HydrophobicContact CD2-CG2 4.13Å; L71-S158 CarbonylContact C-O 3.59Å; L71-S158 VanDerWaalsContact CA-O 3.24Å; L71-S158 WeakPolarHBondContact CA-O 3.49Å; L71-L159 HydrophobicContact CD1-CD2 3.87Å; L71-L159 HydrophobicContact CG-CD2 3.97Å |
| 72 | K | 97.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.2 | 163.8 | -163 | -177.6 | -171.8 | -163.3 | 0 | 109.4 | Q74 L121 E123 F131 I157 S158 | K72-Q74 VanDerWaalsContact CE-OE1 3.31Å; K72-L121 HydrophobicContact CD-CD1 4.2Å; K72-L121 HydrophobicContact CG-CD1 3.9Å; K72-E123 WeakPolarHBondContact CE-OE1 3.5Å; K72-E123 IonicContact NZ-OE1 2.67Å; K72-E123 PolarHBondContact NZ-OE1 3.01Å; K72-F131 HydrophobicContact CB-CD1 4.24Å; K72-F131 HydrophobicContact CB-CE1 4.11Å; K72-F131 HydrophobicContact CG-CD1 4.37Å; K72-F131 HydrophobicContact CG-CE1 4.11Å; K72-I157 WeakPolarHBondContact O-CA 3.21Å; K72-S158 PolarHBondContact N-O 2.89Å; K72-S158 PolarHBondContact O-N 2.79Å |
| 73 | I | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.7 | 173.2 | -54 | -177.9 | 0 | 0 | 0 | 107.5 | T78 F81 L82 G129 V130 L132 L146 V155 S156 I157 | I73-T78 HydrophobicContact CB-CG2 4.46Å; I73-T78 HydrophobicContact CG2-CG2 3.85Å; I73-F81 HydrophobicContact CG2-CE1 4.49Å; I73-L82 HydrophobicContact CD1-CD1 4.41Å; I73-L82 HydrophobicContact CD1-CD2 4.05Å; I73-G129 CarbonylContact O-C 3.53Å; I73-G129 VanDerWaalsContact O-CA 3.28Å; I73-G129 WeakPolarHBondContact O-CA 3.48Å; I73-V130 HydrophobicContact CB-CG2 3.98Å; I73-V130 PolarHBondContact N-O 3.18Å; I73-V130 PolarHBondContact O-N 2.8Å; I73-L132 HydrophobicContact CD1-CB 4.21Å; I73-L132 HydrophobicContact CD1-CD1 3.75Å; I73-L146 HydrophobicContact CD1-CD1 3.95Å; I73-V155 HydrophobicContact CG2-CG1 3.38Å; I73-S156 WeakPolarHBondContact CA-O 3.3Å; I73-I157 HydrophobicContact CG1-CG2 4.32Å; I73-I157 HydrophobicContact CG2-CG1 4.39Å |
| 74 | Q | 94.7 | Very high | 96.3 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150 | -172.2 | 64.3 | -174.7 | -27.2 | 0 | 0 | 112.3 | K72 V155 S156 | K72-Q74 VanDerWaalsContact CE-OE1 3.31Å; Q74-V155 CarbonylContact O-C 3.56Å; Q74-V155 WeakPolarHBondContact O-CA 3.47Å; Q74-S156 WeakPolarHBondContact CG-OG 3.25Å; Q74-S156 PolarHBondContact N-O 2.9Å; Q74-S156 VanDerWaalsContact N-O 3.09Å; Q74-S156 PolarHBondContact NE2-OG 2.96Å; Q74-S156 PolarHBondContact O-N 3.21Å |
| 75 | G | 92.8 | Very high | 96.3 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 133.2 | 165.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D77 T78 H128 K154 | G75-D77 PolarHBondContact O-N 3.09Å; G75-D77 VanDerWaalsContact O-N 3.07Å; G75-T78 PolarHBondContact N-OG1 3.2Å; G75-T78 PolarHBondContact O-N 3.13Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 3.25Å; G75-H128 VanDerWaalsContact O-O 3.09Å; G75-K154 CarbonylContact C-O 3.46Å; G75-K154 WeakPolarHBondContact CA-O 3.25Å |
| 76 | P | 91.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 26.8 Ų | 26.8 | 63% | 0.63 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.8 | -173.2 | 26 | -36.3 | 0 | 0 | 0 | 114.2 | K154 | P76-K154 WeakPolarHBondContact CD-O 3.29Å; P76-K154 HydrophobicContact CG-CB 3.87Å; P76-K154 HydrophobicContact CG-CD 4.16Å |
| 77 | D | 93.7 | Very high | 96.3 | Very high | 32 Ų | 32 | 22.6 Ų | 22.6 | 17% | 0.171 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.7 | 178.7 | -90.7 | -58.7 | 0 | 0 | 0 | 113.9 | G75 P80 F81 R153 K154 V155 | G75-D77 PolarHBondContact O-N 3.09Å; G75-D77 VanDerWaalsContact O-N 3.07Å; D77-P80 VanDerWaalsContact O-CD 3.29Å; D77-P80 WeakPolarHBondContact O-CD 3.37Å; D77-P80 WeakPolarHBondContact O-CG 3.12Å; D77-F81 WeakPolarHBondContact O-CB 3.45Å; D77-F81 PolarHBondContact O-N 3.46Å; D77-R153 HydrophobicContact CB-CB 4.1Å; D77-R153 IonicContact OD1-CZ 3.22Å; D77-R153 IonicContact OD1-NH1 3.72Å; D77-R153 PolarHBondContact OD1-NH1 3.48Å; D77-K154 HydrophobicContact CB-CB 4.46Å; D77-K154 WeakPolarHBondContact OD2-CB 3.41Å; D77-K154 PolarHBondContact OD2-N 3.11Å; D77-V155 HydrophobicContact CB-CG2 3.54Å |
| 78 | T | 94.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.3 | -55.6 | -170.5 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | I73 G75 F81 L82 H128 V130 | I73-T78 HydrophobicContact CB-CG2 4.46Å; I73-T78 HydrophobicContact CG2-CG2 3.85Å; G75-T78 PolarHBondContact N-OG1 3.2Å; G75-T78 PolarHBondContact O-N 3.13Å; G75-T78 VanDerWaalsContact O-N 3.12Å; G75-T78 PolarHBondContact O-OG1 3.25Å; T78-F81 PolarHBondContact O-N 3.12Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 PolarHBondContact O-N 3.16Å; T78-H128 WeakPolarHBondContact CB-O 3.47Å; T78-H128 PolarHBondContact OG1-O 3.01Å; T78-V130 HydrophobicContact CG2-CG2 4.09Å |
| 79 | S | 93.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -57 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | F81 L82 Q83 E94 | S79-F81 VanDerWaalsContact C-N 3.25Å; S79-F81 PolarHBondContact O-N 2.88Å; S79-L82 PolarHBondContact O-N 2.86Å; S79-Q83 VanDerWaalsContact O-CB 3.22Å; S79-Q83 WeakPolarHBondContact O-CB 3.37Å; S79-Q83 PolarHBondContact O-N 3Å; S79-E94 WeakPolarHBondContact CB-OE1 3.46Å; S79-E94 PolarHBondContact OG-OE1 2.79Å |
| 80 | P | 94 | Very high | 96.1 | Very high | 64 Ų | 64 | 20.4 Ų | 20.4 | 42% | 0.416 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.8 | -20.3 | -179 | 26.4 | -35.2 | 0 | 0 | 0 | 114.4 | D77 | D77-P80 VanDerWaalsContact O-CD 3.29Å; D77-P80 WeakPolarHBondContact O-CD 3.37Å; D77-P80 WeakPolarHBondContact O-CG 3.12Å |
| 81 | F | 95.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.2 | -54.1 | 171.4 | 166.5 | -117.9 | 0 | 0 | 0 | 111.5 | I73 D77 T78 S79 Q83 G84 I85 L146 K150 R153 V155 I157 | I73-F81 HydrophobicContact CG2-CE1 4.49Å; D77-F81 WeakPolarHBondContact O-CB 3.45Å; D77-F81 PolarHBondContact O-N 3.46Å; T78-F81 PolarHBondContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.25Å; S79-F81 PolarHBondContact O-N 2.88Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 3.35Å; F81-G84 PolarHBondContact O-N 3.21Å; F81-I85 HydrophobicContact CD2-CD1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CD1 3.34Å; F81-I85 HydrophobicContact CG-CD1 4.41Å; F81-I85 HydrophobicContact CZ-CD1 3.63Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; F81-L146 HydrophobicContact CE1-CD2 3.91Å; F81-L146 HydrophobicContact CZ-CB 4.19Å; F81-L146 HydrophobicContact CZ-CD2 3.76Å; F81-K150 HydrophobicContact CE2-CB 4.1Å; F81-K150 HydrophobicContact CZ-CB 4.26Å; F81-R153 HydrophobicContact CB-CG 4.42Å; F81-R153 HydrophobicContact CD2-CG 4.15Å; F81-V155 HydrophobicContact CB-CG2 4.07Å; F81-V155 HydrophobicContact CD1-CB 4.48Å; F81-V155 HydrophobicContact CD1-CG1 4.13Å; F81-V155 HydrophobicContact CD1-CG2 4.14Å; F81-V155 HydrophobicContact CE1-CG1 4.34Å; F81-V155 HydrophobicContact CG-CG2 4.23Å; F81-I157 HydrophobicContact CE1-CD1 4.05Å; F81-I157 HydrophobicContact CZ-CD1 4.17Å |
| 82 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -31.7 | -179.4 | -70.2 | 175.4 | 0 | 0 | 0 | 112.3 | I73 T78 S79 G84 I85 I86 M90 L118 V130 L146 | I73-L82 HydrophobicContact CD1-CD1 4.41Å; I73-L82 HydrophobicContact CD1-CD2 4.05Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 PolarHBondContact O-N 3.16Å; S79-L82 PolarHBondContact O-N 2.86Å; L82-G84 PolarHBondContact O-N 3.5Å; L82-G84 VanDerWaalsContact O-N 3.11Å; L82-I85 PolarHBondContact O-N 3.45Å; L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CG2 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.23Å; L82-I86 PolarHBondContact O-N 2.98Å; L82-M90 HydrophobicContact CB-CE 4.5Å; L82-M90 HydrophobicContact CB-CG 3.89Å; L82-M90 HydrophobicContact CB-SD 3.56Å; L82-M90 VanDerWaalsContact CB-SD 3.56Å; L82-M90 HydrophobicContact CD1-CE 4.11Å; L82-M90 HydrophobicContact CD1-SD 3.89Å; L82-M90 HydrophobicContact CG-SD 4.39Å; L82-L118 HydrophobicContact CD1-CD2 4.42Å; L82-V130 HydrophobicContact CD1-CG2 3.58Å; L82-L146 HydrophobicContact CD2-CD2 4.21Å |
| 83 | Q | 96.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.2 | 179.7 | -171.6 | 69.2 | -24.3 | 0 | 0 | 113.4 | S79 F81 D89 M90 K267 | S79-Q83 VanDerWaalsContact O-CB 3.22Å; S79-Q83 WeakPolarHBondContact O-CB 3.37Å; S79-Q83 PolarHBondContact O-N 3Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 3.35Å; Q83-D89 PolarHBondContact NE2-OD1 2.8Å; Q83-D89 PolarHBondContact OE1-OD1 2.68Å; Q83-M90 HydrophobicContact CB-CG 4.24Å; Q83-K267 VanDerWaalsContact O-CE 3.31Å; Q83-K267 WeakPolarHBondContact O-CE 3.33Å; Q83-K267 PolarHBondContact O-NZ 3.05Å |
| 84 | G | 96.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 32% | 0.32 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | F81 L82 Y270 I271 | F81-G84 PolarHBondContact O-N 3.21Å; L82-G84 PolarHBondContact O-N 3.5Å; L82-G84 VanDerWaalsContact O-N 3.11Å; G84-Y270 VanDerWaalsContact O-CA 3.3Å; G84-Y270 WeakPolarHBondContact O-CA 3.26Å; G84-I271 PolarHBondContact O-N 3.13Å |
| 85 | I | 97.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -37.4 | -170.2 | -61.7 | 172 | 0 | 0 | 0 | 111.8 | F81 L82 M105 L146 Y149 I271 | F81-I85 HydrophobicContact CD2-CD1 3.78Å; F81-I85 HydrophobicContact CE1-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CD1 3.34Å; F81-I85 HydrophobicContact CG-CD1 4.41Å; F81-I85 HydrophobicContact CZ-CD1 3.63Å; F81-I85 WeakPolarHBondContact O-CD1 3.31Å; L82-I85 PolarHBondContact O-N 3.45Å; I85-M105 HydrophobicContact CG2-CE 4.3Å; I85-M105 HydrophobicContact CG2-CG 4.09Å; I85-M105 HydrophobicContact CG2-SD 3.82Å; I85-L146 HydrophobicContact CD1-CD2 4.14Å; I85-L146 HydrophobicContact CG2-CD2 4.48Å; I85-Y149 HydrophobicContact CD1-CD2 4.34Å; I85-Y149 HydrophobicContact CD1-CG 4.23Å; I85-Y149 HydrophobicContact CG1-CD2 4.46Å; I85-Y149 HydrophobicContact CG1-CG 4.36Å; I85-I271 HydrophobicContact CB-CD1 4.46Å; I85-I271 HydrophobicContact CG1-CD1 4.28Å; I85-I271 HydrophobicContact CG2-CD1 4.37Å |
| 86 | I | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 153.5 | -171.8 | 80.5 | 177.8 | 0 | 0 | 0 | 111.5 | L82 N88 M90 M101 S103 H104 M105 I116 L118 K267 Y270 | L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CG2 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.23Å; L82-I86 PolarHBondContact O-N 2.98Å; I86-N88 VanDerWaalsContact CG1-O 3.28Å; I86-N88 WeakPolarHBondContact CG1-O 3.41Å; I86-M90 HydrophobicContact CD1-CG 4.13Å; I86-M90 HydrophobicContact CD1-SD 3.61Å; I86-M101 HydrophobicContact CD1-CE 3.69Å; I86-S103 WeakPolarHBondContact CB-OG 3.35Å; I86-H104 WeakPolarHBondContact CA-O 3.28Å; I86-M105 HydrophobicContact CG2-CE 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.36Å; I86-I116 HydrophobicContact CB-CD1 4.46Å; I86-I116 HydrophobicContact CG2-CD1 3.85Å; I86-L118 HydrophobicContact CD1-CD1 3.53Å; I86-K267 PolarHBondContact O-NZ 2.77Å; I86-Y270 WeakPolarHBondContact O-CB 3.45Å |
| 87 | T | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -70.7 | -27.7 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | S103 H104 L106 L257 G262 I263 S264 K267 Y270 | T87-S103 PolarHBondContact N-OG 2.93Å; T87-S103 VanDerWaalsContact N-OG 3.08Å; T87-S103 PolarHBondContact OG1-OG 2.86Å; T87-H104 HydrophobicContact CG2-CB 4.12Å; T87-H104 PolarHBondContact N-O 3.29Å; T87-H104 PolarHBondContact OG1-N 3Å; T87-H104 PolarHBondContact OG1-O 2.86Å; T87-L106 HydrophobicContact CG2-CD1 3.82Å; T87-L106 HydrophobicContact CG2-CD2 3.88Å; T87-L106 HydrophobicContact CG2-CG 3.66Å; T87-L257 HydrophobicContact CG2-CD2 4.07Å; T87-G262 PolarHBondContact OG1-O 2.98Å; T87-I263 WeakPolarHBondContact O-CA 3.24Å; T87-S264 PolarHBondContact O-N 3.16Å; T87-S264 VanDerWaalsContact O-N 3.09Å; T87-K267 WeakPolarHBondContact O-CD 3.17Å; T87-Y270 HydrophobicContact CG2-CD2 4.35Å; T87-Y270 HydrophobicContact CG2-CE2 3.75Å |
| 88 | N | 98.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -95.1 | 171.7 | -178.8 | -148.3 | -4.1 | 0 | 0 | 0 | 113.6 | I86 L92 M101 Y102 S103 Q261 K267 | I86-N88 VanDerWaalsContact CG1-O 3.28Å; I86-N88 WeakPolarHBondContact CG1-O 3.41Å; N88-L92 WeakPolarHBondContact OD1-CD1 3.32Å; N88-M101 HydrophobicContact CB-SD 4.25Å; N88-Y102 WeakPolarHBondContact CB-O 3.37Å; N88-Y102 PolarHBondContact ND2-O 2.99Å; N88-S103 PolarHBondContact N-OG 3.33Å; N88-Q261 PolarHBondContact ND2-O 2.81Å; N88-K267 WeakPolarHBondContact O-CD 3.49Å; N88-K267 WeakPolarHBondContact O-CE 3.32Å; N88-K267 PolarHBondContact O-NZ 2.78Å |
| 89 | D | 97.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | trans | -96 | 118.8 | -173.4 | -158.5 | -30.7 | 0 | 0 | 0 | 112.5 | Q83 R91 L92 K267 | Q83-D89 PolarHBondContact NE2-OD1 2.8Å; Q83-D89 PolarHBondContact OE1-OD1 2.68Å; D89-R91 PolarHBondContact O-N 2.98Å; D89-R91 VanDerWaalsContact O-N 3.12Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 WeakPolarHBondContact OD1-CG 3.4Å; D89-R91 IonicContact OD1-CZ 3.96Å; D89-R91 PolarHBondContact OD1-N 3.17Å; D89-R91 VanDerWaalsContact OD1-N 3.09Å; D89-R91 IonicContact OD1-NE 3.02Å; D89-R91 PolarHBondContact OD1-NE 3.41Å; D89-R91 IonicContact OD2-CZ 3.22Å; D89-R91 VanDerWaalsContact OD2-CZ 3.22Å; D89-R91 IonicContact OD2-NE 3.01Å; D89-R91 PolarHBondContact OD2-NE 2.64Å; D89-R91 IonicContact OD2-NH2 2.65Å; D89-R91 PolarHBondContact OD2-NH2 2.68Å; D89-L92 HydrophobicContact CB-CD1 4.49Å; D89-L92 HydrophobicContact CB-CG 4.34Å; D89-L92 WeakPolarHBondContact O-CB 3.34Å; D89-L92 WeakPolarHBondContact O-CG 3.13Å; D89-L92 PolarHBondContact O-N 2.88Å; D89-L92 VanDerWaalsContact O-N 3.09Å; D89-K267 HydrophobicContact CB-CB 4.21Å; D89-K267 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 90 | M | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -58.2 | -25 | 176.9 | -72.8 | -60.4 | -48.9 | 0 | 0 | 113.4 | L82 Q83 I86 L92 L93 M101 L118 V130 | L82-M90 HydrophobicContact CB-CE 4.5Å; L82-M90 HydrophobicContact CB-CG 3.89Å; L82-M90 HydrophobicContact CB-SD 3.56Å; L82-M90 VanDerWaalsContact CB-SD 3.56Å; L82-M90 HydrophobicContact CD1-CE 4.11Å; L82-M90 HydrophobicContact CD1-SD 3.89Å; L82-M90 HydrophobicContact CG-SD 4.39Å; Q83-M90 HydrophobicContact CB-CG 4.24Å; I86-M90 HydrophobicContact CD1-CG 4.13Å; I86-M90 HydrophobicContact CD1-SD 3.61Å; M90-L92 PolarHBondContact O-N 3.23Å; M90-L93 HydrophobicContact CE-CD1 4.19Å; M90-L93 PolarHBondContact O-N 3.22Å; M90-L93 VanDerWaalsContact O-N 3.14Å; M90-M101 HydrophobicContact CE-CE 4.19Å; M90-M101 HydrophobicContact CG-CE 4.41Å; M90-M101 HydrophobicContact SD-CE 3.39Å; M90-M101 WeakPolarHBondContact SD-CE 3.34Å; M90-L118 HydrophobicContact SD-CD1 4.4Å; M90-V130 HydrophobicContact CE-CG1 4.05Å |
| 91 | R | 93.6 | Very high | 93.6 | Very high | 124 Ų | 124 | 38.2 Ų | 38.2 | 47% | 0.468 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -60.4 | -25.4 | 177.1 | -65.7 | 178.9 | -71.3 | 178.5 | 1.5 | 112.9 | D89 L93 E94 E95 | D89-R91 PolarHBondContact O-N 2.98Å; D89-R91 VanDerWaalsContact O-N 3.12Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 WeakPolarHBondContact OD1-CG 3.4Å; D89-R91 IonicContact OD1-CZ 3.96Å; D89-R91 PolarHBondContact OD1-N 3.17Å; D89-R91 VanDerWaalsContact OD1-N 3.09Å; D89-R91 IonicContact OD1-NE 3.02Å; D89-R91 PolarHBondContact OD1-NE 3.41Å; D89-R91 IonicContact OD2-CZ 3.22Å; D89-R91 VanDerWaalsContact OD2-CZ 3.22Å; D89-R91 IonicContact OD2-NE 3.01Å; D89-R91 PolarHBondContact OD2-NE 2.64Å; D89-R91 IonicContact OD2-NH2 2.65Å; D89-R91 PolarHBondContact OD2-NH2 2.68Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.04Å; R91-E94 WeakPolarHBondContact O-CB 3.48Å; R91-E94 PolarHBondContact O-N 3.21Å; R91-E95 PolarHBondContact O-N 2.97Å |
| 92 | L | 92.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -59.2 | -41.6 | 175.4 | -64.6 | 172.1 | 0 | 0 | 0 | 111.3 | N88 D89 M90 E94 E95 C98 M101 | N88-L92 WeakPolarHBondContact OD1-CD1 3.32Å; D89-L92 HydrophobicContact CB-CD1 4.49Å; D89-L92 HydrophobicContact CB-CG 4.34Å; D89-L92 WeakPolarHBondContact O-CB 3.34Å; D89-L92 WeakPolarHBondContact O-CG 3.13Å; D89-L92 PolarHBondContact O-N 2.88Å; D89-L92 VanDerWaalsContact O-N 3.09Å; M90-L92 PolarHBondContact O-N 3.23Å; L92-E94 PolarHBondContact O-N 2.82Å; L92-E94 VanDerWaalsContact O-N 3.16Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.2Å; L92-C98 WeakPolarHBondContact O-CB 3.42Å; L92-C98 PolarHBondContact O-SG 3.05Å; L92-M101 HydrophobicContact CB-SD 4.32Å; L92-M101 HydrophobicContact CD1-SD 4.34Å |
| 93 | L | 92.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -74 | -1.8 | 177.8 | -64 | -176.2 | 0 | 0 | 0 | 114.2 | M90 R91 M101 L118 V130 | M90-L93 HydrophobicContact CE-CD1 4.19Å; M90-L93 PolarHBondContact O-N 3.22Å; M90-L93 VanDerWaalsContact O-N 3.14Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.04Å; L93-M101 HydrophobicContact CD1-CE 3.77Å; L93-M101 HydrophobicContact CD1-CG 4.15Å; L93-M101 HydrophobicContact CD1-SD 4.48Å; L93-M101 HydrophobicContact CD2-CB 4.31Å; L93-M101 HydrophobicContact CD2-CG 4.03Å; L93-M101 HydrophobicContact CG-CE 3.95Å; L93-M101 HydrophobicContact CG-CG 3.97Å; L93-M101 HydrophobicContact CG-SD 4.13Å; L93-L118 HydrophobicContact CD1-CB 4.11Å; L93-V130 HydrophobicContact CD1-CG1 3.79Å |
| 94 | E | 86.8 | Confident | 93.9 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -98.8 | -9.9 | 172.3 | -59.1 | 169.5 | -175.6 | 0 | 0 | 110.9 | S79 R91 L92 | S79-E94 WeakPolarHBondContact CB-OE1 3.46Å; S79-E94 PolarHBondContact OG-OE1 2.79Å; R91-E94 WeakPolarHBondContact O-CB 3.48Å; R91-E94 PolarHBondContact O-N 3.21Å; L92-E94 PolarHBondContact O-N 2.82Å; L92-E94 VanDerWaalsContact O-N 3.16Å |
| 95 | E | 86.8 | Confident | 94 | Very high | 109 Ų | 109 | 34.7 Ų | 34.7 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -78.8 | 135.3 | 177.8 | -66 | -179.2 | -170.8 | 0 | 0 | 112 | R91 L92 G97 C98 | R91-E95 PolarHBondContact O-N 2.97Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.2Å; E95-G97 PolarHBondContact O-N 2.9Å; E95-C98 HydrophobicContact CB-CB 4.32Å; E95-C98 PolarHBondContact O-N 2.83Å |
| 96 | P | 84.6 | Confident | 94.1 | Very high | 142 Ų | 142 | 34.5 Ų | 34.5 | 92% | 0.922 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 115.4 | 178.8 | -26.4 | 35.2 | 0 | 0 | 0 | 113 | ||
| 97 | G | 82.9 | Confident | 94 | Very high | 77 Ų | 77 | 35.8 Ų | 35.8 | 79% | 0.794 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -9.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | E95 | E95-G97 PolarHBondContact O-N 2.9Š|
| 98 | C | 86.5 | Confident | 93.9 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | trans | -95.2 | 107.9 | 170.3 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | L92 E95 | L92-C98 WeakPolarHBondContact O-CB 3.42Å; L92-C98 PolarHBondContact O-SG 3.05Å; E95-C98 HydrophobicContact CB-CB 4.32Å; E95-C98 PolarHBondContact O-N 2.83Å | ||
| 99 | T | 92.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | trans | -121.9 | -4.1 | -176.3 | 44 | 0 | 0 | 0 | 0 | 113.3 | Y119 S120 E194 | T99-Y119 CarbonylContact O-C 3.57Å; T99-Y119 WeakPolarHBondContact O-CA 3.45Å; T99-S120 PolarHBondContact O-N 3.4Å; T99-E194 WeakPolarHBondContact CB-OE1 3.41Å; T99-E194 WeakPolarHBondContact OG1-CG 3.5Å; T99-E194 PolarHBondContact OG1-OE1 3.16Å; T99-E194 PolarHBondContact OG1-OE2 3.44Å | ||
| 100 | A | 96.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L118 Y119 E194 P197 | A100-L118 CarbonylContact C-O 3.55Å; A100-L118 VanDerWaalsContact CA-O 3.29Å; A100-L118 WeakPolarHBondContact CA-O 3.33Å; A100-Y119 HydrophobicContact CB-CD1 3.73Å; A100-Y119 HydrophobicContact CB-CE1 4.01Å; A100-E194 HydrophobicContact CB-CB 3.96Å; A100-E194 HydrophobicContact CB-CG 4.45Å; A100-P197 HydrophobicContact CB-CG 4.42Å |
| 101 | M | 97.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.2 | 169.9 | 67.4 | 169.5 | 173 | 0 | 0 | 112.5 | I86 N88 M90 L92 L93 L117 L118 | I86-M101 HydrophobicContact CD1-CE 3.69Å; N88-M101 HydrophobicContact CB-SD 4.25Å; M90-M101 HydrophobicContact CE-CE 4.19Å; M90-M101 HydrophobicContact CG-CE 4.41Å; M90-M101 HydrophobicContact SD-CE 3.39Å; M90-M101 WeakPolarHBondContact SD-CE 3.34Å; L92-M101 HydrophobicContact CB-SD 4.32Å; L92-M101 HydrophobicContact CD1-SD 4.34Å; L93-M101 HydrophobicContact CD1-CE 3.77Å; L93-M101 HydrophobicContact CD1-CG 4.15Å; L93-M101 HydrophobicContact CD1-SD 4.48Å; L93-M101 HydrophobicContact CD2-CB 4.31Å; L93-M101 HydrophobicContact CD2-CG 4.03Å; L93-M101 HydrophobicContact CG-CE 3.95Å; L93-M101 HydrophobicContact CG-CG 3.97Å; L93-M101 HydrophobicContact CG-SD 4.13Å; M101-L117 WeakPolarHBondContact O-CA 3.28Å; M101-L118 HydrophobicContact CE-CB 4.25Å; M101-L118 HydrophobicContact CE-CD1 3.64Å; M101-L118 HydrophobicContact CG-CB 4.03Å; M101-L118 PolarHBondContact N-O 3.03Å; M101-L118 PolarHBondContact O-N 3.4Å |
| 102 | Y | 98.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 150.4 | 170.8 | -172.5 | -128.4 | 0 | 0 | 0 | 110.7 | N88 H104 D115 I116 L117 R198 L257 M260 G262 | N88-Y102 WeakPolarHBondContact CB-O 3.37Å; N88-Y102 PolarHBondContact ND2-O 2.99Å; Y102-H104 AromaticContact CE1-NE2 3.93Å; Y102-H104 AromaticContact CZ-CD2 3.88Å; Y102-H104 AromaticContact CZ-NE2 3.69Å; Y102-H104 PolarHBondContact OH-NE2 3.49Å; Y102-H104 VanDerWaalsContact OH-NE2 3.13Å; Y102-D115 HydrophobicContact CE2-CB 4.1Å; Y102-I116 WeakPolarHBondContact CD2-O 3.21Å; Y102-L117 HydrophobicContact CD2-CD1 3.93Å; Y102-L117 HydrophobicContact CD2-CG 4.17Å; Y102-L117 HydrophobicContact CE2-CD1 4.17Å; Y102-R198 HydrophobicContact CD1-CG 3.75Å; Y102-R198 HydrophobicContact CD2-CG 3.72Å; Y102-R198 HydrophobicContact CE1-CG 4.17Å; Y102-R198 HydrophobicContact CE2-CG 4.16Å; Y102-R198 HydrophobicContact CG-CG 3.49Å; Y102-R198 VanDerWaalsContact CG-CG 3.49Å; Y102-L257 HydrophobicContact CD1-CD1 3.82Å; Y102-L257 HydrophobicContact CE1-CD1 3.55Å; Y102-M260 HydrophobicContact CD1-CB 3.82Å; Y102-M260 HydrophobicContact CE1-CB 3.95Å; Y102-M260 HydrophobicContact CE1-CE 3.82Å; Y102-M260 HydrophobicContact CE1-SD 4.04Å; Y102-G262 WeakPolarHBondContact O-CA 3.49Å |
| 103 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 164.1 | 170.4 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | I86 T87 N88 I116 | I86-S103 WeakPolarHBondContact CB-OG 3.35Å; T87-S103 PolarHBondContact N-OG 2.93Å; T87-S103 VanDerWaalsContact N-OG 3.08Å; T87-S103 PolarHBondContact OG1-OG 2.86Å; N88-S103 PolarHBondContact N-OG 3.33Å; S103-I116 PolarHBondContact N-O 2.96Å; S103-I116 VanDerWaalsContact O-CG1 3.22Å; S103-I116 WeakPolarHBondContact O-CG1 3Å; S103-I116 PolarHBondContact O-N 2.76Å; S103-I116 VanDerWaalsContact O-O 3.08Å |
| 104 | H | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 160.1 | 158.8 | -70.6 | -171.1 | 0 | 0 | 0 | 110.6 | I86 T87 Y102 L106 T112 Y114 L257 | I86-H104 WeakPolarHBondContact CA-O 3.28Å; T87-H104 HydrophobicContact CG2-CB 4.12Å; T87-H104 PolarHBondContact N-O 3.29Å; T87-H104 PolarHBondContact OG1-N 3Å; T87-H104 PolarHBondContact OG1-O 2.86Å; Y102-H104 AromaticContact CE1-NE2 3.93Å; Y102-H104 AromaticContact CZ-CD2 3.88Å; Y102-H104 AromaticContact CZ-NE2 3.69Å; Y102-H104 PolarHBondContact OH-NE2 3.49Å; Y102-H104 VanDerWaalsContact OH-NE2 3.13Å; H104-L106 HydrophobicContact CB-CD2 3.93Å; H104-T112 HydrophobicContact CB-CG2 4.31Å; H104-T112 PolarHBondContact CE1-OG1 3.43Å; H104-T112 VanDerWaalsContact ND1-CG2 3.27Å; H104-T112 WeakPolarHBondContact ND1-CG2 3.42Å; H104-T112 PolarHBondContact ND1-OG1 2.79Å; H104-Y114 CarbonylContact C-O 3.56Å; H104-Y114 VanDerWaalsContact CA-O 3.27Å; H104-Y114 WeakPolarHBondContact CA-O 3.37Å; H104-L257 HydrophobicContact CB-CD2 4.09Å |
| 105 | M | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.2 | 151.8 | -61.5 | -172.1 | -171.8 | 0 | 0 | 108.6 | I85 I86 L113 Y114 I116 L132 I142 L146 | I85-M105 HydrophobicContact CG2-CE 4.3Å; I85-M105 HydrophobicContact CG2-CG 4.09Å; I85-M105 HydrophobicContact CG2-SD 3.82Å; I86-M105 HydrophobicContact CG2-CE 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.36Å; M105-L113 PolarHBondContact O-N 2.92Å; M105-Y114 HydrophobicContact CB-CD2 3.99Å; M105-Y114 HydrophobicContact CG-CD2 4.37Å; M105-Y114 PolarHBondContact N-O 3.33Å; M105-Y114 PolarHBondContact O-N 3.04Å; M105-Y114 HydrophobicContact SD-CD2 3.91Å; M105-I116 HydrophobicContact CE-CD1 3.9Å; M105-I116 HydrophobicContact CG-CD1 4.25Å; M105-L132 HydrophobicContact CE-CD1 3.63Å; M105-I142 HydrophobicContact CE-CD1 3.76Å; M105-I142 HydrophobicContact CE-CG1 4.04Å; M105-I142 HydrophobicContact SD-CD1 4Å; M105-I142 HydrophobicContact SD-CG1 3.95Å; M105-L146 HydrophobicContact CE-CD1 4.42Å; M105-L146 HydrophobicContact CE-CD2 3.79Å; M105-L146 HydrophobicContact CE-CG 4.28Å; M105-L146 HydrophobicContact SD-CD2 4.39Å |
| 106 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 161.8 | 179.9 | -47.8 | -175.2 | 0 | 0 | 0 | 112.1 | T87 H104 R111 P252 Y270 I271 | T87-L106 HydrophobicContact CG2-CD1 3.82Å; T87-L106 HydrophobicContact CG2-CD2 3.88Å; T87-L106 HydrophobicContact CG2-CG 3.66Å; H104-L106 HydrophobicContact CB-CD2 3.93Å; L106-R111 CarbonylContact C-O 3.59Å; L106-R111 VanDerWaalsContact CA-O 3.23Å; L106-R111 WeakPolarHBondContact CA-O 3.45Å; L106-R111 WeakPolarHBondContact CB-O 3.32Å; L106-P252 HydrophobicContact CD1-CG 4.21Å; L106-P252 HydrophobicContact CD2-CB 4.26Å; L106-P252 HydrophobicContact CD2-CG 4.03Å; L106-Y270 HydrophobicContact CD1-CE2 3.97Å; L106-I271 WeakPolarHBondContact O-CG2 3.15Å |
| 107 | N | 97.9 | Very high | 96.7 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | trans | -81.1 | 169.2 | 160.3 | 66.3 | 20.7 | 0 | 0 | 0 | 111.2 | Q109 G110 R111 L113 G272 | N107-Q109 PolarHBondContact ND2-OE1 3.3Å; N107-Q109 PolarHBondContact O-N 2.94Å; N107-Q109 PolarHBondContact OD1-N 2.97Å; N107-Q109 PolarHBondContact OD1-OE1 3.29Å; N107-G110 PolarHBondContact O-N 2.83Å; N107-G110 PolarHBondContact OD1-N 2.88Å; N107-G110 VanDerWaalsContact OD1-N 3.15Å; N107-R111 PolarHBondContact N-O 3.27Å; N107-R111 WeakPolarHBondContact OD1-CD 3.28Å; N107-R111 PolarHBondContact OD1-N 3.16Å; N107-R111 PolarHBondContact OD1-O 3.42Å; N107-L113 HydrophobicContact CB-CD1 4.04Å; N107-L113 HydrophobicContact CB-CD2 4.13Å; N107-L113 HydrophobicContact CB-CG 4.03Å; N107-G272 WeakPolarHBondContact O-CA 3.28Å | ||
| 108 | V | 97.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 21.6 Ų | 21.6 | 60% | 0.6 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.1 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | I271 | V108-I271 HydrophobicContact CG1-CG2 4.18Š|
| 109 | Q | 97.4 | Very high | 97.9 | Very high | 96 Ų | 96 | 20 Ų | 20 | 45% | 0.449 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 8.3 | 175.2 | -51.6 | 86.2 | -1.7 | 0 | 0 | 113.3 | N107 R111 L275 | N107-Q109 PolarHBondContact ND2-OE1 3.3Å; N107-Q109 PolarHBondContact O-N 2.94Å; N107-Q109 PolarHBondContact OD1-N 2.97Å; N107-Q109 PolarHBondContact OD1-OE1 3.29Å; Q109-R111 WeakPolarHBondContact O-CD 3.39Å; Q109-R111 PolarHBondContact O-NE 2.93Å; Q109-L275 WeakPolarHBondContact O-CD2 3.25Å |
| 110 | G | 97.4 | Very high | 98 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 76.6 | 25.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N107 P252 G272 | N107-G110 PolarHBondContact O-N 2.83Å; N107-G110 PolarHBondContact OD1-N 2.88Å; N107-G110 VanDerWaalsContact OD1-N 3.15Å; G110-P252 VanDerWaalsContact O-CD 3.29Å; G110-P252 WeakPolarHBondContact O-CD 3.21Å; G110-G272 WeakPolarHBondContact CA-O 3.42Å |
| 111 | R | 98.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 21.2 Ų | 21.2 | 36% | 0.358 | 11% | 0.108 | S | C | . | . | trans | -103.1 | 144.5 | 171.9 | -56.1 | 93.1 | -157.5 | -132.3 | 4.9 | 110.3 | L106 N107 Q109 L113 G248 A250 L251 | L106-R111 CarbonylContact C-O 3.59Å; L106-R111 VanDerWaalsContact CA-O 3.23Å; L106-R111 WeakPolarHBondContact CA-O 3.45Å; L106-R111 WeakPolarHBondContact CB-O 3.32Å; N107-R111 PolarHBondContact N-O 3.27Å; N107-R111 WeakPolarHBondContact OD1-CD 3.28Å; N107-R111 PolarHBondContact OD1-N 3.16Å; N107-R111 PolarHBondContact OD1-O 3.42Å; Q109-R111 WeakPolarHBondContact O-CD 3.39Å; Q109-R111 PolarHBondContact O-NE 2.93Å; R111-L113 PolarHBondContact O-N 3.37Å; R111-G248 VanDerWaalsContact CB-O 3.3Å; R111-G248 WeakPolarHBondContact CB-O 3.25Å; R111-G248 WeakPolarHBondContact CG-O 3.31Å; R111-A250 CarbonylContact C-O 3.57Å; R111-A250 WeakPolarHBondContact CA-O 3.26Å; R111-A250 WeakPolarHBondContact CB-O 3.48Å; R111-L251 HydrophobicContact CG-CD2 4.03Å | ||
| 112 | T | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 129.5 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 110 | H104 L245 G248 A250 | H104-T112 HydrophobicContact CB-CG2 4.31Å; H104-T112 PolarHBondContact CE1-OG1 3.43Å; H104-T112 VanDerWaalsContact ND1-CG2 3.27Å; H104-T112 WeakPolarHBondContact ND1-CG2 3.42Å; H104-T112 PolarHBondContact ND1-OG1 2.79Å; T112-L245 HydrophobicContact CG2-CB 4.38Å; T112-G248 PolarHBondContact O-N 2.97Å; T112-A250 PolarHBondContact N-O 2.78Å; T112-A250 PolarHBondContact OG1-O 3.3Å |
| 113 | L | 98.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -48.8 | 164.7 | -70.7 | 175.5 | 0 | 0 | 0 | 110.5 | M105 N107 R111 P247 | M105-L113 PolarHBondContact O-N 2.92Å; N107-L113 HydrophobicContact CB-CD1 4.04Å; N107-L113 HydrophobicContact CB-CD2 4.13Å; N107-L113 HydrophobicContact CB-CG 4.03Å; R111-L113 PolarHBondContact O-N 3.37Å; L113-P247 HydrophobicContact CD2-CB 4.47Å; L113-P247 WeakPolarHBondContact O-CB 3.48Å; L113-P247 WeakPolarHBondContact O-CG 3.49Å |
| 114 | Y | 98.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.9 | -174.2 | -41.4 | -60 | 0 | 0 | 0 | 110 | H104 M105 V138 S141 I142 H145 | H104-Y114 CarbonylContact C-O 3.56Å; H104-Y114 VanDerWaalsContact CA-O 3.27Å; H104-Y114 WeakPolarHBondContact CA-O 3.37Å; M105-Y114 HydrophobicContact CB-CD2 3.99Å; M105-Y114 HydrophobicContact CG-CD2 4.37Å; M105-Y114 PolarHBondContact N-O 3.33Å; M105-Y114 PolarHBondContact O-N 3.04Å; M105-Y114 HydrophobicContact SD-CD2 3.91Å; Y114-V138 HydrophobicContact CD1-CB 4.03Å; Y114-V138 HydrophobicContact CD1-CG1 4.48Å; Y114-V138 HydrophobicContact CD1-CG2 3.84Å; Y114-V138 HydrophobicContact CE1-CB 3.96Å; Y114-V138 HydrophobicContact CE1-CG1 4.34Å; Y114-V138 HydrophobicContact CE1-CG2 4.3Å; Y114-S141 WeakPolarHBondContact OH-CB 3.3Å; Y114-S141 PolarHBondContact OH-O 3.08Å; Y114-I142 HydrophobicContact CD2-CB 3.97Å; Y114-I142 HydrophobicContact CD2-CD1 3.88Å; Y114-I142 HydrophobicContact CD2-CG1 3.73Å; Y114-I142 HydrophobicContact CE2-CB 3.92Å; Y114-I142 HydrophobicContact CE2-CG1 3.99Å; Y114-I142 HydrophobicContact CG-CB 4.33Å; Y114-I142 HydrophobicContact CG-CD1 4.11Å; Y114-I142 HydrophobicContact CG-CG1 4.32Å; Y114-H145 HydrophobicContact CE2-CB 4.08Å |
| 115 | D | 98.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.1 | 162.9 | 62.9 | -60.8 | 0 | 0 | 0 | 110.2 | R68 Y102 G241 L245 | R68-D115 IonicContact CZ-OD2 3.96Å; R68-D115 IonicContact NH1-OD1 3.43Å; R68-D115 IonicContact NH1-OD2 3.85Å; R68-D115 PolarHBondContact NH1-OD2 3.28Å; R68-D115 PolarHBondContact NH2-O 3.39Å; R68-D115 IonicContact NH2-OD2 2.9Å; R68-D115 PolarHBondContact NH2-OD2 3.21Å; Y102-D115 HydrophobicContact CE2-CB 4.1Å; D115-G241 WeakPolarHBondContact OD1-CA 3.18Å; D115-G241 PolarHBondContact OD1-N 3.48Å; D115-G241 PolarHBondContact OD2-N 2.65Å; D115-G241 VanDerWaalsContact OD2-N 3.08Å; D115-L245 HydrophobicContact CB-CD1 3.63Å |
| 116 | I | 98.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.3 | -174.3 | 64.4 | 173.3 | 0 | 0 | 0 | 111.7 | I86 Y102 S103 M105 L118 L132 E133 C134 I142 | I86-I116 HydrophobicContact CB-CD1 4.46Å; I86-I116 HydrophobicContact CG2-CD1 3.85Å; Y102-I116 WeakPolarHBondContact CD2-O 3.21Å; S103-I116 PolarHBondContact N-O 2.96Å; S103-I116 VanDerWaalsContact O-CG1 3.22Å; S103-I116 WeakPolarHBondContact O-CG1 3Å; S103-I116 PolarHBondContact O-N 2.76Å; S103-I116 VanDerWaalsContact O-O 3.08Å; M105-I116 HydrophobicContact CE-CD1 3.9Å; M105-I116 HydrophobicContact CG-CD1 4.25Å; I116-L118 HydrophobicContact CD1-CD1 3.78Å; I116-L118 HydrophobicContact CD1-CD2 4.3Å; I116-L118 HydrophobicContact CD1-CG 4.02Å; I116-L118 HydrophobicContact CG1-CD1 4.46Å; I116-L118 HydrophobicContact CG1-CG 4.43Å; I116-L132 HydrophobicContact CB-CD2 4.1Å; I116-L132 HydrophobicContact CB-CG 4.18Å; I116-L132 HydrophobicContact CD1-CD1 4.13Å; I116-L132 HydrophobicContact CD1-CG 4.36Å; I116-L132 HydrophobicContact CG2-CD1 4.46Å; I116-L132 HydrophobicContact CG2-CD2 3.69Å; I116-L132 HydrophobicContact CG2-CG 4.18Å; I116-E133 VanDerWaalsContact CA-O 3.24Å; I116-E133 WeakPolarHBondContact CA-O 3.32Å; I116-C134 HydrophobicContact CG2-CB 4.27Å; I116-I142 HydrophobicContact CG2-CD1 3.95Å |
| 117 | L | 98.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137 | 160.9 | -70.2 | 75.8 | 0 | 0 | 0 | 107.5 | M101 Y102 Y119 L132 E133 P197 R205 | M101-L117 WeakPolarHBondContact O-CA 3.28Å; Y102-L117 HydrophobicContact CD2-CD1 3.93Å; Y102-L117 HydrophobicContact CD2-CG 4.17Å; Y102-L117 HydrophobicContact CE2-CD1 4.17Å; L117-Y119 HydrophobicContact CB-CE1 4.25Å; L117-Y119 HydrophobicContact CB-CE2 4.34Å; L117-Y119 HydrophobicContact CD2-CE1 4.48Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.11Å; L117-L132 WeakPolarHBondContact O-CA 3.29Å; L117-E133 HydrophobicContact CB-CB 4.14Å; L117-E133 PolarHBondContact N-O 3.01Å; L117-E133 VanDerWaalsContact N-O 3.09Å; L117-E133 PolarHBondContact O-N 3.02Å; L117-P197 HydrophobicContact CD2-CG 4.07Å; L117-P197 HydrophobicContact CG-CG 4.3Å; L117-R205 HydrophobicContact CD2-CG 4.06Å |
| 118 | L | 98.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.1 | -178.7 | -70.9 | 165.5 | 0 | 0 | 0 | 109.1 | L82 I86 M90 L93 A100 M101 I116 V130 F131 L132 | L82-L118 HydrophobicContact CD1-CD2 4.42Å; I86-L118 HydrophobicContact CD1-CD1 3.53Å; M90-L118 HydrophobicContact SD-CD1 4.4Å; L93-L118 HydrophobicContact CD1-CB 4.11Å; A100-L118 CarbonylContact C-O 3.55Å; A100-L118 VanDerWaalsContact CA-O 3.29Å; A100-L118 WeakPolarHBondContact CA-O 3.33Å; M101-L118 HydrophobicContact CE-CB 4.25Å; M101-L118 HydrophobicContact CE-CD1 3.64Å; M101-L118 HydrophobicContact CG-CB 4.03Å; M101-L118 PolarHBondContact N-O 3.03Å; M101-L118 PolarHBondContact O-N 3.4Å; I116-L118 HydrophobicContact CD1-CD1 3.78Å; I116-L118 HydrophobicContact CD1-CD2 4.3Å; I116-L118 HydrophobicContact CD1-CG 4.02Å; I116-L118 HydrophobicContact CG1-CD1 4.46Å; I116-L118 HydrophobicContact CG1-CG 4.43Å; L118-V130 HydrophobicContact CD2-CB 4.46Å; L118-V130 HydrophobicContact CD2-CG2 3.96Å; L118-F131 WeakPolarHBondContact CA-O 3.47Å; L118-L132 HydrophobicContact CD2-CB 3.68Å; L118-L132 HydrophobicContact CD2-CD1 3.95Å; L118-L132 HydrophobicContact CD2-CG 3.7Å |
| 119 | Y | 97.2 | Very high | 84.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.3 | -178.7 | -49.1 | -67 | 0 | 0 | 0 | 110.4 | L70 T99 A100 L117 V130 F131 E133 V192 R205 | L70-Y119 HydrophobicContact CD2-CD2 4.49Å; L70-Y119 HydrophobicContact CD2-CE2 4.29Å; T99-Y119 CarbonylContact O-C 3.57Å; T99-Y119 WeakPolarHBondContact O-CA 3.45Å; A100-Y119 HydrophobicContact CB-CD1 3.73Å; A100-Y119 HydrophobicContact CB-CE1 4.01Å; L117-Y119 HydrophobicContact CB-CE1 4.25Å; L117-Y119 HydrophobicContact CB-CE2 4.34Å; L117-Y119 HydrophobicContact CD2-CE1 4.48Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.11Å; Y119-V130 CarbonylContact O-C 3.58Å; Y119-V130 WeakPolarHBondContact O-CA 3.29Å; Y119-V130 WeakPolarHBondContact O-CB 3.47Å; Y119-F131 HydrophobicContact CD2-CB 4.07Å; Y119-F131 PolarHBondContact N-O 3.18Å; Y119-F131 PolarHBondContact O-N 2.85Å; Y119-E133 HydrophobicContact CE2-CB 3.94Å; Y119-E133 PolarHBondContact OH-OE2 3.09Å; Y119-V192 HydrophobicContact CD1-CG1 3.55Å; Y119-V192 HydrophobicContact CD2-CG1 4.14Å; Y119-V192 HydrophobicContact CD2-CG2 3.85Å; Y119-V192 HydrophobicContact CE1-CG1 3.9Å; Y119-V192 HydrophobicContact CE2-CG1 4.43Å; Y119-V192 HydrophobicContact CG-CB 4.42Å; Y119-V192 HydrophobicContact CG-CG1 3.68Å; Y119-V192 HydrophobicContact CG-CG2 3.84Å; Y119-R205 HydrophobicContact CE1-CB 4.19Å; Y119-R205 WeakPolarHBondContact OH-CB 3.32Å; Y119-R205 VanDerWaalsContact OH-CG 3.26Å; Y119-R205 WeakPolarHBondContact OH-CG 3.45Å |
| 120 | S | 94 | Very high | 84.3 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.3 | -178.6 | -170 | 0 | 0 | 0 | 0 | 111.6 | T99 | T99-S120 PolarHBondContact O-N 3.4Å |
| 121 | L | 88.6 | Confident | 84.3 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | trans | -83.3 | 118 | 175.4 | -72.7 | 173.6 | 0 | 0 | 0 | 110.9 | K72 E123 G129 F131 | K72-L121 HydrophobicContact CD-CD1 4.2Å; K72-L121 HydrophobicContact CG-CD1 3.9Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 HydrophobicContact CB-CG 4.09Å; L121-E123 PolarHBondContact O-N 3.16Å; L121-G129 WeakPolarHBondContact CB-O 3.45Å; L121-G129 PolarHBondContact N-O 2.68Å; L121-F131 HydrophobicContact CD2-CD2 3.46Å; L121-F131 VanDerWaalsContact CD2-CD2 3.46Å; L121-F131 HydrophobicContact CD2-CE2 3.16Å; L121-F131 HydrophobicContact CD2-CG 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.76Å; L121-F131 HydrophobicContact CG-CD2 4.32Å; L121-F131 HydrophobicContact CG-CE2 4.39Å | ||
| 122 | K | 67 | Low | 84.3 | Confident | 170 Ų | 170 | 41.7 Ų | 41.7 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | trans | -81 | 69.8 | 172.8 | -64.3 | 176 | -175.9 | 166.1 | 0 | 110.4 | ||||
| 123 | E | 63.2 | Low | 84.3 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | trans | -80.9 | 131.9 | 175.6 | -63.1 | -168.8 | 160.5 | 0 | 0 | 111.4 | K72 L121 E125 G126 | K72-E123 WeakPolarHBondContact CE-OE1 3.5Å; K72-E123 IonicContact NZ-OE1 2.67Å; K72-E123 PolarHBondContact NZ-OE1 3.01Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 HydrophobicContact CB-CG 4.09Å; L121-E123 PolarHBondContact O-N 3.16Å; E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.11Å; E123-G126 PolarHBondContact O-N 3.4Å | ||
| 124 | A | 51.3 | Low | 84.3 | Confident | 111 Ų | 111 | 40.3 Ų | 40.3 | 92% | 0.917 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 125 | E | 49.6 | Very low | 84.3 | Confident | 195 Ų | 195 | 39.7 Ų | 39.7 | 91% | 0.911 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 24 | -175.8 | -60.4 | -171.3 | 168.6 | 0 | 0 | 113.3 | E123 G127 | E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.11Å; E125-G127 VanDerWaalsContact C-N 3.35Å; E125-G127 PolarHBondContact O-N 2.91Å |
| 126 | G | 51.8 | Low | 84.3 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | trans | 73.8 | 24.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E123 H128 | E123-G126 PolarHBondContact O-N 3.4Å; G126-H128 PolarHBondContact O-N 3.29Å | ||
| 127 | G | 58.6 | Low | 84.3 | Confident | 26 Ų | 26 | 46 Ų | 46 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | trans | -69.5 | 113.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E125 G129 | E125-G127 VanDerWaalsContact C-N 3.35Å; E125-G127 PolarHBondContact O-N 2.91Å; G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 2.85Å | ||
| 128 | H | 73.7 | Confident | 84.2 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | trans | -73.5 | 91.1 | 166.4 | -59.5 | -78.2 | 0 | 0 | 0 | 108.9 | G75 T78 G126 | G75-H128 VanDerWaalsContact O-O 3.09Å; T78-H128 WeakPolarHBondContact CB-O 3.47Å; T78-H128 PolarHBondContact OG1-O 3.01Å; G126-H128 PolarHBondContact O-N 3.29Å | ||
| 129 | G | 92.1 | Very high | 84.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I73 L121 G127 | I73-G129 CarbonylContact O-C 3.53Å; I73-G129 VanDerWaalsContact O-CA 3.28Å; I73-G129 WeakPolarHBondContact O-CA 3.48Å; L121-G129 WeakPolarHBondContact CB-O 3.45Å; L121-G129 PolarHBondContact N-O 2.68Å; G127-G129 VanDerWaalsContact C-N 3.34Å; G127-G129 PolarHBondContact O-N 2.85Å |
| 130 | V | 96.1 | Very high | 84.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.6 | 170.4 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | I73 T78 L82 M90 L93 L118 Y119 | I73-V130 HydrophobicContact CB-CG2 3.98Å; I73-V130 PolarHBondContact N-O 3.18Å; I73-V130 PolarHBondContact O-N 2.8Å; T78-V130 HydrophobicContact CG2-CG2 4.09Å; L82-V130 HydrophobicContact CD1-CG2 3.58Å; M90-V130 HydrophobicContact CE-CG1 4.05Å; L93-V130 HydrophobicContact CD1-CG1 3.79Å; L118-V130 HydrophobicContact CD2-CB 4.46Å; L118-V130 HydrophobicContact CD2-CG2 3.96Å; Y119-V130 CarbonylContact O-C 3.58Å; Y119-V130 WeakPolarHBondContact O-CA 3.29Å; Y119-V130 WeakPolarHBondContact O-CB 3.47Å |
| 131 | F | 97.9 | Very high | 84.3 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142.9 | 151.3 | -70.5 | -66.5 | 0 | 0 | 0 | 109.5 | L70 L71 K72 L118 Y119 L121 L163 V191 V192 | L70-F131 HydrophobicContact CD2-CB 4.24Å; L71-F131 CarbonylContact O-C 3.57Å; L71-F131 WeakPolarHBondContact O-CA 3.42Å; K72-F131 HydrophobicContact CB-CD1 4.24Å; K72-F131 HydrophobicContact CB-CE1 4.11Å; K72-F131 HydrophobicContact CG-CD1 4.37Å; K72-F131 HydrophobicContact CG-CE1 4.11Å; L118-F131 WeakPolarHBondContact CA-O 3.47Å; Y119-F131 HydrophobicContact CD2-CB 4.07Å; Y119-F131 PolarHBondContact N-O 3.18Å; Y119-F131 PolarHBondContact O-N 2.85Å; L121-F131 HydrophobicContact CD2-CD2 3.46Å; L121-F131 VanDerWaalsContact CD2-CD2 3.46Å; L121-F131 HydrophobicContact CD2-CE2 3.16Å; L121-F131 HydrophobicContact CD2-CG 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.76Å; L121-F131 HydrophobicContact CG-CD2 4.32Å; L121-F131 HydrophobicContact CG-CE2 4.39Å; F131-L163 HydrophobicContact CD1-CD1 4.39Å; F131-L163 HydrophobicContact CE1-CD1 3.68Å; F131-L163 HydrophobicContact CZ-CD1 3.83Å; F131-V191 HydrophobicContact CD2-CG1 4.12Å; F131-V191 HydrophobicContact CE2-CG1 3.15Å; F131-V191 HydrophobicContact CZ-CG1 3.51Å; F131-V192 HydrophobicContact CD2-CG2 4.05Å |
| 132 | L | 98.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.6 | 173.5 | -175.3 | 165.5 | 0 | 0 | 0 | 108.1 | L70 L71 I73 M105 I116 L117 L118 C134 I142 L146 | L70-L132 WeakPolarHBondContact CA-O 3.13Å; L71-L132 HydrophobicContact CB-CB 4.37Å; L71-L132 PolarHBondContact N-O 2.91Å; L71-L132 PolarHBondContact O-N 2.94Å; I73-L132 HydrophobicContact CD1-CB 4.21Å; I73-L132 HydrophobicContact CD1-CD1 3.75Å; M105-L132 HydrophobicContact CE-CD1 3.63Å; I116-L132 HydrophobicContact CB-CD2 4.1Å; I116-L132 HydrophobicContact CB-CG 4.18Å; I116-L132 HydrophobicContact CD1-CD1 4.13Å; I116-L132 HydrophobicContact CD1-CG 4.36Å; I116-L132 HydrophobicContact CG2-CD1 4.46Å; I116-L132 HydrophobicContact CG2-CD2 3.69Å; I116-L132 HydrophobicContact CG2-CG 4.18Å; L117-L132 WeakPolarHBondContact O-CA 3.29Å; L118-L132 HydrophobicContact CD2-CB 3.68Å; L118-L132 HydrophobicContact CD2-CD1 3.95Å; L118-L132 HydrophobicContact CD2-CG 3.7Å; L132-C134 HydrophobicContact CD2-CB 3.89Å; L132-I142 HydrophobicContact CD1-CD1 4.24Å; L132-I142 HydrophobicContact CD2-CD1 3.74Å; L132-L146 HydrophobicContact CD1-CD1 4.47Å |
| 133 | E | 98.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.9 | 170.9 | -173.4 | -164 | 127.2 | 0 | 0 | 109.7 | R68 T69 L70 I116 L117 Y119 V165 R205 | R68-E133 HydrophobicContact CB-CG 4.04Å; R68-E133 IonicContact CZ-OE1 3.77Å; R68-E133 IonicContact NE-OE1 3.86Å; R68-E133 PolarHBondContact NE-OE1 3.39Å; R68-E133 IonicContact NH2-OE1 2.77Å; R68-E133 PolarHBondContact NH2-OE1 3.4Å; T69-E133 VanDerWaalsContact O-CA 3.31Å; T69-E133 WeakPolarHBondContact O-CA 3.46Å; L70-E133 HydrophobicContact CD2-CB 3.8Å; L70-E133 HydrophobicContact CD2-CG 4.35Å; I116-E133 VanDerWaalsContact CA-O 3.24Å; I116-E133 WeakPolarHBondContact CA-O 3.32Å; L117-E133 HydrophobicContact CB-CB 4.14Å; L117-E133 PolarHBondContact N-O 3.01Å; L117-E133 VanDerWaalsContact N-O 3.09Å; L117-E133 PolarHBondContact O-N 3.02Å; Y119-E133 HydrophobicContact CE2-CB 3.94Å; Y119-E133 PolarHBondContact OH-OE2 3.09Å; E133-V165 HydrophobicContact CG-CG1 4.32Å; E133-V165 HydrophobicContact CG-CG2 4.47Å; E133-R205 IonicContact OE1-CZ 3.46Å; E133-R205 IonicContact OE1-NE 2.81Å; E133-R205 PolarHBondContact OE1-NE 3.25Å; E133-R205 IonicContact OE1-NH2 3.28Å; E133-R205 PolarHBondContact OE1-NH2 3.47Å; E133-R205 IonicContact OE2-CZ 3.59Å; E133-R205 IonicContact OE2-NE 2.86Å; E133-R205 PolarHBondContact OE2-NE 3.08Å; E133-R205 IonicContact OE2-NH2 3.49Å |
| 134 | C | 98.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 172.6 | 171.4 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | R68 T69 I116 L132 I142 | R68-C134 CarbonylContact C-O 3.53Å; R68-C134 WeakPolarHBondContact CA-O 3.38Å; T69-C134 PolarHBondContact N-O 2.79Å; T69-C134 PolarHBondContact O-N 3.1Å; I116-C134 HydrophobicContact CG2-CB 4.27Å; L132-C134 HydrophobicContact CD2-CB 3.89Å; C134-I142 HydrophobicContact CB-CD1 4.19Å |
| 135 | D | 98.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134 | 168.3 | -175.2 | -53.8 | 0 | 0 | 0 | 110.8 | H67 T137 V138 G241 V242 | H67-D135 WeakPolarHBondContact O-CA 3.34Å; D135-T137 VanDerWaalsContact C-N 3.29Å; D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact OD1-CB 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.48Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.13Å; D135-T137 PolarHBondContact OD1-N 2.86Å; D135-T137 PolarHBondContact OD1-OG1 2.95Å; D135-V138 HydrophobicContact CB-CG2 3.94Å; D135-V138 VanDerWaalsContact O-CG2 3.27Å; D135-V138 WeakPolarHBondContact O-CG2 3.16Å; D135-V138 PolarHBondContact O-N 3.1Å; D135-G241 WeakPolarHBondContact OD2-CA 3.43Å; D135-V242 HydrophobicContact CB-CG1 4.36Å; D135-V242 PolarHBondContact OD2-N 3.24Å |
| 136 | S | 98.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -70.1 | -23.6 | -174.7 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | P66 H67 V138 | P66-S136 PolarHBondContact O-OG 2.67Å; H67-S136 WeakPolarHBondContact CA-OG 3.34Å; H67-S136 PolarHBondContact O-N 2.67Å; H67-S136 PolarHBondContact O-OG 3.33Å; S136-V138 PolarHBondContact O-N 3.16Å |
| 137 | T | 98.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 61% | 0.607 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -68.8 | -22 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | D135 | D135-T137 VanDerWaalsContact C-N 3.29Å; D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact OD1-CB 3.32Å; D135-T137 WeakPolarHBondContact OD1-CB 3.48Å; D135-T137 WeakPolarHBondContact OD1-CG2 3.13Å; D135-T137 PolarHBondContact OD1-N 2.86Å; D135-T137 PolarHBondContact OD1-OG1 2.95Å |
| 138 | V | 97.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -110.3 | 7.1 | -176.2 | -66.6 | 0 | 0 | 0 | 0 | 114.3 | Y114 D135 S136 N140 S141 I142 V242 | Y114-V138 HydrophobicContact CD1-CB 4.03Å; Y114-V138 HydrophobicContact CD1-CG1 4.48Å; Y114-V138 HydrophobicContact CD1-CG2 3.84Å; Y114-V138 HydrophobicContact CE1-CB 3.96Å; Y114-V138 HydrophobicContact CE1-CG1 4.34Å; Y114-V138 HydrophobicContact CE1-CG2 4.3Å; D135-V138 HydrophobicContact CB-CG2 3.94Å; D135-V138 VanDerWaalsContact O-CG2 3.27Å; D135-V138 WeakPolarHBondContact O-CG2 3.16Å; D135-V138 PolarHBondContact O-N 3.1Å; S136-V138 PolarHBondContact O-N 3.16Å; V138-N140 PolarHBondContact O-N 3.21Å; V138-N140 VanDerWaalsContact O-N 3.12Å; V138-S141 WeakPolarHBondContact O-CA 3.24Å; V138-S141 WeakPolarHBondContact O-CB 3.3Å; V138-S141 PolarHBondContact O-N 2.87Å; V138-I142 PolarHBondContact O-N 3.42Å; V138-V242 HydrophobicContact CG1-CG1 3.53Å; V138-V242 HydrophobicContact CG2-CG1 4.36Å |
| 139 | E | 96.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.1 | -39.1 | -177.1 | 76.4 | 175.6 | -165.8 | 0 | 0 | 112.9 | T69 I142 L143 L159 | T69-E139 HydrophobicContact CG2-CB 3.84Å; E139-I142 VanDerWaalsContact O-CG2 3.24Å; E139-I142 WeakPolarHBondContact O-CG2 3.45Å; E139-L143 WeakPolarHBondContact O-CB 3.39Å; E139-L143 WeakPolarHBondContact O-CG 3.4Å; E139-L143 PolarHBondContact O-N 2.86Å; E139-L159 HydrophobicContact CB-CD2 4.06Å; E139-L159 HydrophobicContact CG-CD2 4.39Å |
| 140 | N | 97 | Very high | 96.9 | Very high | 92 Ų | 92 | 45 Ų | 45 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -74.8 | -28.9 | 178.8 | -79.3 | -70.9 | 0 | 0 | 0 | 112.5 | V138 K144 | V138-N140 PolarHBondContact O-N 3.21Å; V138-N140 VanDerWaalsContact O-N 3.12Å; N140-K144 WeakPolarHBondContact O-CD 3.25Å; N140-K144 WeakPolarHBondContact O-CG 3.3Å; N140-K144 PolarHBondContact O-N 3.04Å |
| 141 | S | 98 | Very high | 96.6 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.7 | -42.8 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | Y114 V138 K144 H145 | Y114-S141 WeakPolarHBondContact OH-CB 3.3Å; Y114-S141 PolarHBondContact OH-O 3.08Å; V138-S141 WeakPolarHBondContact O-CA 3.24Å; V138-S141 WeakPolarHBondContact O-CB 3.3Å; V138-S141 PolarHBondContact O-N 2.87Å; S141-K144 PolarHBondContact O-N 3.47Å; S141-H145 WeakPolarHBondContact O-CB 3.28Å; S141-H145 PolarHBondContact O-N 2.99Å |
| 142 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -38 | 174.6 | -165.6 | 169.7 | 0 | 0 | 0 | 111.6 | L71 M105 Y114 I116 L132 C134 V138 E139 K144 H145 L146 | L71-I142 HydrophobicContact CD1-CG2 4.35Å; L71-I142 HydrophobicContact CD2-CG2 4.07Å; M105-I142 HydrophobicContact CE-CD1 3.76Å; M105-I142 HydrophobicContact CE-CG1 4.04Å; M105-I142 HydrophobicContact SD-CD1 4Å; M105-I142 HydrophobicContact SD-CG1 3.95Å; Y114-I142 HydrophobicContact CD2-CB 3.97Å; Y114-I142 HydrophobicContact CD2-CD1 3.88Å; Y114-I142 HydrophobicContact CD2-CG1 3.73Å; Y114-I142 HydrophobicContact CE2-CB 3.92Å; Y114-I142 HydrophobicContact CE2-CG1 3.99Å; Y114-I142 HydrophobicContact CG-CB 4.33Å; Y114-I142 HydrophobicContact CG-CD1 4.11Å; Y114-I142 HydrophobicContact CG-CG1 4.32Å; I116-I142 HydrophobicContact CG2-CD1 3.95Å; L132-I142 HydrophobicContact CD1-CD1 4.24Å; L132-I142 HydrophobicContact CD2-CD1 3.74Å; C134-I142 HydrophobicContact CB-CD1 4.19Å; V138-I142 PolarHBondContact O-N 3.42Å; E139-I142 VanDerWaalsContact O-CG2 3.24Å; E139-I142 WeakPolarHBondContact O-CG2 3.45Å; I142-K144 PolarHBondContact O-N 2.92Å; I142-H145 PolarHBondContact O-N 3Å; I142-L146 HydrophobicContact CG1-CD1 4.13Å; I142-L146 HydrophobicContact CG1-CG 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.31Å |
| 143 | L | 97 | Very high | 95.9 | Very high | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 171 | -80.1 | 173 | 0 | 0 | 0 | 112.5 | L71 E139 K147 I157 L159 | L71-L143 HydrophobicContact CD2-CD2 3.67Å; L71-L143 HydrophobicContact CD2-CG 3.99Å; L71-L143 HydrophobicContact CG-CD2 4.41Å; E139-L143 WeakPolarHBondContact O-CB 3.39Å; E139-L143 WeakPolarHBondContact O-CG 3.4Å; E139-L143 PolarHBondContact O-N 2.86Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 WeakPolarHBondContact O-CD 3.46Å; L143-K147 WeakPolarHBondContact O-CG 3.5Å; L143-K147 PolarHBondContact O-N 3Å; L143-I157 HydrophobicContact CD2-CG2 3.68Å; L143-L159 HydrophobicContact CD1-CD1 3.98Å; L143-L159 HydrophobicContact CD1-CD2 4.12Å; L143-L159 HydrophobicContact CD1-CG 3.95Å |
| 144 | K | 96.7 | Very high | 95.7 | Very high | 142 Ų | 142 | 74.1 Ų | 74.1 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 175.6 | -74.2 | 166.5 | -173.6 | 174 | 0 | 110.9 | N140 S141 I142 K147 V148 | N140-K144 WeakPolarHBondContact O-CD 3.25Å; N140-K144 WeakPolarHBondContact O-CG 3.3Å; N140-K144 PolarHBondContact O-N 3.04Å; S141-K144 PolarHBondContact O-N 3.47Å; I142-K144 PolarHBondContact O-N 2.92Å; K144-K147 PolarHBondContact O-N 3.18Å; K144-V148 WeakPolarHBondContact O-CG2 3.2Å; K144-V148 PolarHBondContact O-N 2.79Å; K144-V148 VanDerWaalsContact O-N 3.15Å |
| 145 | H | 96.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 74.4 Ų | 74.4 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -52 | 178.1 | -174.5 | 98.1 | 0 | 0 | 0 | 111.7 | Y114 S141 I142 K147 V148 Y149 | Y114-H145 HydrophobicContact CE2-CB 4.08Å; S141-H145 WeakPolarHBondContact O-CB 3.28Å; S141-H145 PolarHBondContact O-N 2.99Å; I142-H145 PolarHBondContact O-N 3Å; H145-K147 VanDerWaalsContact C-N 3.33Å; H145-K147 PolarHBondContact O-N 3.12Å; H145-V148 WeakPolarHBondContact O-CB 3.46Å; H145-V148 PolarHBondContact O-N 3.17Å; H145-Y149 AromaticContact CD2-CE2 3.9Å; H145-Y149 AromaticContact CE1-CE2 3.7Å; H145-Y149 AromaticContact NE2-CD2 4Å; H145-Y149 AromaticContact NE2-CE2 3.54Å; H145-Y149 WeakPolarHBondContact O-CD2 3.49Å |
| 146 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 177.9 | -70.8 | 170.2 | 0 | 0 | 0 | 112.6 | L71 I73 F81 L82 I85 M105 L132 I142 V148 Y149 K150 I157 | L71-L146 HydrophobicContact CD2-CD1 4.13Å; I73-L146 HydrophobicContact CD1-CD1 3.95Å; F81-L146 HydrophobicContact CE1-CD2 3.91Å; F81-L146 HydrophobicContact CZ-CB 4.19Å; F81-L146 HydrophobicContact CZ-CD2 3.76Å; L82-L146 HydrophobicContact CD2-CD2 4.21Å; I85-L146 HydrophobicContact CD1-CD2 4.14Å; I85-L146 HydrophobicContact CG2-CD2 4.48Å; M105-L146 HydrophobicContact CE-CD1 4.42Å; M105-L146 HydrophobicContact CE-CD2 3.79Å; M105-L146 HydrophobicContact CE-CG 4.28Å; M105-L146 HydrophobicContact SD-CD2 4.39Å; L132-L146 HydrophobicContact CD1-CD1 4.47Å; I142-L146 HydrophobicContact CG1-CD1 4.13Å; I142-L146 HydrophobicContact CG1-CG 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.31Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.91Å; L146-Y149 PolarHBondContact O-N 3.27Å; L146-K150 WeakPolarHBondContact O-CB 3.36Å; L146-K150 PolarHBondContact O-N 3.13Å; L146-I157 HydrophobicContact CB-CD1 3.74Å; L146-I157 HydrophobicContact CD1-CD1 4.35Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å |
| 147 | K | 95 | Very high | 95.3 | Very high | 129 Ų | 129 | 75.9 Ų | 75.9 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 176.5 | -78.6 | 170.2 | -176.8 | 176.4 | 0 | 113 | L143 K144 H145 | L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 WeakPolarHBondContact O-CD 3.46Å; L143-K147 WeakPolarHBondContact O-CG 3.5Å; L143-K147 PolarHBondContact O-N 3Å; K144-K147 PolarHBondContact O-N 3.18Å; H145-K147 VanDerWaalsContact C-N 3.33Å; H145-K147 PolarHBondContact O-N 3.12Å |
| 148 | V | 94.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K144 H145 L146 I151 | K144-V148 WeakPolarHBondContact O-CG2 3.2Å; K144-V148 PolarHBondContact O-N 2.79Å; K144-V148 VanDerWaalsContact O-N 3.15Å; H145-V148 WeakPolarHBondContact O-CB 3.46Å; H145-V148 PolarHBondContact O-N 3.17Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.91Å; V148-I151 WeakPolarHBondContact O-CD1 3.23Å |
| 149 | Y | 93.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -85.3 | -12.6 | -177.9 | -60.7 | -70.8 | 0 | 0 | 0 | 114.4 | I85 H145 L146 I151 I271 | I85-Y149 HydrophobicContact CD1-CD2 4.34Å; I85-Y149 HydrophobicContact CD1-CG 4.23Å; I85-Y149 HydrophobicContact CG1-CD2 4.46Å; I85-Y149 HydrophobicContact CG1-CG 4.36Å; H145-Y149 AromaticContact CD2-CE2 3.9Å; H145-Y149 AromaticContact CE1-CE2 3.7Å; H145-Y149 AromaticContact NE2-CD2 4Å; H145-Y149 AromaticContact NE2-CE2 3.54Å; H145-Y149 WeakPolarHBondContact O-CD2 3.49Å; L146-Y149 PolarHBondContact O-N 3.27Å; Y149-I151 PolarHBondContact O-N 2.88Å; Y149-I271 HydrophobicContact CD1-CD1 4.22Å; Y149-I271 HydrophobicContact CD2-CD1 4.04Å; Y149-I271 HydrophobicContact CE1-CD1 3.73Å; Y149-I271 HydrophobicContact CE1-CG1 4.47Å; Y149-I271 HydrophobicContact CE2-CD1 3.54Å; Y149-I271 HydrophobicContact CG-CD1 4.37Å |
| 150 | K | 92.7 | Very high | 95.2 | Very high | 73 Ų | 73 | 73.4 Ų | 73.4 | 32% | 0.317 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.5 | -179.7 | 167.2 | 174.2 | 161.7 | 169.5 | 0 | 113.9 | F81 L146 R152 R153 V155 I157 | F81-K150 HydrophobicContact CE2-CB 4.1Å; F81-K150 HydrophobicContact CZ-CB 4.26Å; L146-K150 WeakPolarHBondContact O-CB 3.36Å; L146-K150 PolarHBondContact O-N 3.13Å; K150-R152 PolarHBondContact O-N 3.33Å; K150-R152 VanDerWaalsContact O-N 3.16Å; K150-R153 WeakPolarHBondContact O-CB 3.39Å; K150-R153 PolarHBondContact O-N 2.66Å; K150-V155 WeakPolarHBondContact CD-O 3.48Å; K150-V155 WeakPolarHBondContact CE-O 3.41Å; K150-V155 PolarHBondContact NZ-O 3.46Å; K150-I157 HydrophobicContact CD-CD1 4.36Å |
| 151 | I | 89.1 | Confident | 95.2 | Very high | 127 Ų | 127 | 73.7 Ų | 73.7 | 65% | 0.651 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 123.7 | -174 | -64.7 | 171.1 | 0 | 0 | 0 | 111.5 | V148 Y149 R153 | V148-I151 WeakPolarHBondContact O-CD1 3.23Å; Y149-I151 PolarHBondContact O-N 2.88Å; I151-R153 PolarHBondContact O-N 2.85Å |
| 152 | R | 89.7 | Confident | 95.2 | Very high | 246 Ų | 246 | 75.8 Ų | 75.8 | 93% | 0.928 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 9.6 | -175.9 | -58.9 | 174.6 | -178.4 | -175.3 | 0.4 | 116.6 | K150 | K150-R152 PolarHBondContact O-N 3.33Å; K150-R152 VanDerWaalsContact O-N 3.16Å |
| 153 | R | 93.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 76.8 Ų | 76.8 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | trans | -91.7 | 134.2 | 172.3 | -61.5 | -62.6 | -169.8 | 164.8 | 2.3 | 112.1 | D77 F81 K150 I151 V155 | D77-R153 HydrophobicContact CB-CB 4.1Å; D77-R153 IonicContact OD1-CZ 3.22Å; D77-R153 IonicContact OD1-NH1 3.72Å; D77-R153 PolarHBondContact OD1-NH1 3.48Å; F81-R153 HydrophobicContact CB-CG 4.42Å; F81-R153 HydrophobicContact CD2-CG 4.15Å; K150-R153 WeakPolarHBondContact O-CB 3.39Å; K150-R153 PolarHBondContact O-N 2.66Å; I151-R153 PolarHBondContact O-N 2.85Å; R153-V155 HydrophobicContact CB-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.47Å | ||
| 154 | K | 94.1 | Very high | 95.3 | Very high | 155 Ų | 155 | 76.4 Ų | 76.4 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | trans | -79.3 | 66.4 | 172.9 | -63.8 | 178.8 | -178.7 | 177.7 | 0 | 110.7 | G75 P76 D77 | G75-K154 CarbonylContact C-O 3.46Å; G75-K154 WeakPolarHBondContact CA-O 3.25Å; P76-K154 WeakPolarHBondContact CD-O 3.29Å; P76-K154 HydrophobicContact CG-CB 3.87Å; P76-K154 HydrophobicContact CG-CD 4.16Å; D77-K154 HydrophobicContact CB-CB 4.46Å; D77-K154 WeakPolarHBondContact OD2-CB 3.41Å; D77-K154 PolarHBondContact OD2-N 3.11Å | ||
| 155 | V | 94.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | trans | -128.8 | 133 | 178.5 | -179 | 0 | 0 | 0 | 0 | 109.5 | I73 Q74 D77 F81 K150 R153 I157 | I73-V155 HydrophobicContact CG2-CG1 3.38Å; Q74-V155 CarbonylContact O-C 3.56Å; Q74-V155 WeakPolarHBondContact O-CA 3.47Å; D77-V155 HydrophobicContact CB-CG2 3.54Å; F81-V155 HydrophobicContact CB-CG2 4.07Å; F81-V155 HydrophobicContact CD1-CB 4.48Å; F81-V155 HydrophobicContact CD1-CG1 4.13Å; F81-V155 HydrophobicContact CD1-CG2 4.14Å; F81-V155 HydrophobicContact CE1-CG1 4.34Å; F81-V155 HydrophobicContact CG-CG2 4.23Å; K150-V155 WeakPolarHBondContact CD-O 3.48Å; K150-V155 WeakPolarHBondContact CE-O 3.41Å; K150-V155 PolarHBondContact NZ-O 3.46Å; R153-V155 HydrophobicContact CB-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.47Å; V155-I157 HydrophobicContact CG1-CG1 4.05Å | ||
| 156 | S | 94.7 | Very high | 95.5 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 148.2 | 165.1 | 70.8 | 0 | 0 | 0 | 0 | 110.2 | I73 Q74 | I73-S156 WeakPolarHBondContact CA-O 3.3Å; Q74-S156 WeakPolarHBondContact CG-OG 3.25Å; Q74-S156 PolarHBondContact N-O 2.9Å; Q74-S156 VanDerWaalsContact N-O 3.09Å; Q74-S156 PolarHBondContact NE2-OG 2.96Å; Q74-S156 PolarHBondContact O-N 3.21Å |
| 157 | I | 96.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 120.2 | -175 | -52.3 | -179.8 | 0 | 0 | 0 | 107 | L71 K72 I73 F81 L143 L146 K150 V155 | L71-I157 HydrophobicContact CD2-CG2 4.13Å; K72-I157 WeakPolarHBondContact O-CA 3.21Å; I73-I157 HydrophobicContact CG1-CG2 4.32Å; I73-I157 HydrophobicContact CG2-CG1 4.39Å; F81-I157 HydrophobicContact CE1-CD1 4.05Å; F81-I157 HydrophobicContact CZ-CD1 4.17Å; L143-I157 HydrophobicContact CD2-CG2 3.68Å; L146-I157 HydrophobicContact CB-CD1 3.74Å; L146-I157 HydrophobicContact CD1-CD1 4.35Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å; K150-I157 HydrophobicContact CD-CD1 4.36Å; V155-I157 HydrophobicContact CG1-CG1 4.05Å |
| 158 | S | 96.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 63.2 Ų | 63.2 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.1 | -179.4 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | L71 K72 | L71-S158 CarbonylContact C-O 3.59Å; L71-S158 VanDerWaalsContact CA-O 3.24Å; L71-S158 WeakPolarHBondContact CA-O 3.49Å; K72-S158 PolarHBondContact N-O 2.89Å; K72-S158 PolarHBondContact O-N 2.79Å |
| 159 | L | 97.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 29% | 0.293 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 154.8 | 166.1 | -66.3 | 165.8 | 0 | 0 | 0 | 109.6 | L71 E139 L143 P161 | L71-L159 HydrophobicContact CD1-CD2 3.87Å; L71-L159 HydrophobicContact CG-CD2 3.97Å; E139-L159 HydrophobicContact CB-CD2 4.06Å; E139-L159 HydrophobicContact CG-CD2 4.39Å; L143-L159 HydrophobicContact CD1-CD1 3.98Å; L143-L159 HydrophobicContact CD1-CD2 4.12Å; L143-L159 HydrophobicContact CD1-CG 3.95Å; L159-P161 WeakPolarHBondContact O-CD 3.43Å |
| 160 | C | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | trans | -120.8 | 64.6 | 176 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | L70 E162 L163 | L70-C160 HydrophobicContact CB-CB 4.11Å; L70-C160 PolarHBondContact O-N 3.45Å; C160-E162 VanDerWaalsContact CA-OE2 3.26Å; C160-E162 WeakPolarHBondContact CA-OE2 3.33Å; C160-E162 WeakPolarHBondContact CB-OE1 3.46Å; C160-E162 PolarHBondContact O-N 3.23Å; C160-E162 PolarHBondContact SG-OE1 3.3Å; C160-E162 VanDerWaalsContact SG-OE1 3.38Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 HydrophobicContact CB-CD1 3.76Å; C160-L163 HydrophobicContact CB-CG 3.99Å; C160-L163 PolarHBondContact O-N 3.01Å | ||
| 161 | P | 97 | Very high | 95.2 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.6 | 179.7 | 30.5 | -38 | 0 | 0 | 0 | 113.6 | L159 L163 N210 | L159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-L163 PolarHBondContact O-N 2.91Å; P161-N210 PolarHBondContact O-ND2 2.71Å |
| 162 | E | 97.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.1 | 172.6 | 73.1 | -72.6 | 172.5 | 0 | 0 | 114.1 | C160 Q209 N210 | C160-E162 VanDerWaalsContact CA-OE2 3.26Å; C160-E162 WeakPolarHBondContact CA-OE2 3.33Å; C160-E162 WeakPolarHBondContact CB-OE1 3.46Å; C160-E162 PolarHBondContact O-N 3.23Å; C160-E162 PolarHBondContact SG-OE1 3.3Å; C160-E162 VanDerWaalsContact SG-OE1 3.38Å; E162-Q209 CarbonylContact O-C 3.55Å; E162-Q209 WeakPolarHBondContact O-CA 3.35Å; E162-N210 VanDerWaalsContact O-CG 3.29Å; E162-N210 PolarHBondContact O-N 3.09Å; E162-N210 PolarHBondContact O-OD1 3.22Å |
| 163 | L | 98.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.2 | -179.1 | -57.9 | -177.4 | 0 | 0 | 0 | 111.9 | L70 F131 C160 P161 V191 V207 L208 Q209 N210 | L70-L163 HydrophobicContact CD1-CB 3.85Å; L70-L163 HydrophobicContact CD1-CD1 3.92Å; F131-L163 HydrophobicContact CD1-CD1 4.39Å; F131-L163 HydrophobicContact CE1-CD1 3.68Å; F131-L163 HydrophobicContact CZ-CD1 3.83Å; C160-L163 HydrophobicContact CB-CB 4.34Å; C160-L163 HydrophobicContact CB-CD1 3.76Å; C160-L163 HydrophobicContact CB-CG 3.99Å; C160-L163 PolarHBondContact O-N 3.01Å; P161-L163 PolarHBondContact O-N 2.91Å; L163-V191 HydrophobicContact CD1-CG1 4.25Å; L163-V191 HydrophobicContact CD2-CG2 4.1Å; L163-V207 HydrophobicContact CB-CG1 3.95Å; L163-V207 HydrophobicContact CD1-CG1 3.95Å; L163-V207 HydrophobicContact CD2-CG1 4.44Å; L163-V207 HydrophobicContact CG-CG1 4.34Å; L163-L208 CarbonylContact C-O 3.55Å; L163-L208 WeakPolarHBondContact CA-O 3.24Å; L163-Q209 HydrophobicContact CD2-CG 3.95Å; L163-N210 PolarHBondContact O-OD1 3.04Å |
| 164 | S | 97.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.6 | 174.3 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | W166 V207 L208 N210 | S164-W166 PolarHBondContact OG-NE1 3.18Å; S164-V207 WeakPolarHBondContact O-CA 3.5Å; S164-L208 PolarHBondContact N-O 3.46Å; S164-L208 PolarHBondContact O-N 2.64Å; S164-L208 VanDerWaalsContact O-N 3.16Å; S164-L208 PolarHBondContact OG-O 3Å; S164-N210 WeakPolarHBondContact CB-OD1 3.46Å; S164-N210 PolarHBondContact N-OD1 3.15Å |
| 165 | V | 98.6 | Very high | 89 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.7 | 177.3 | -172 | 0 | 0 | 0 | 0 | 109.6 | L65 R68 L70 E133 | L65-V165 HydrophobicContact CB-CB 4.38Å; L65-V165 HydrophobicContact CB-CG1 4.38Å; L65-V165 HydrophobicContact CD1-CG1 4.08Å; L65-V165 PolarHBondContact N-O 2.88Å; R68-V165 HydrophobicContact CB-CB 4.26Å; R68-V165 HydrophobicContact CB-CG1 4.28Å; R68-V165 HydrophobicContact CB-CG2 4.35Å; L70-V165 HydrophobicContact CD1-CG2 3.85Å; L70-V165 HydrophobicContact CD2-CG2 4.28Å; L70-V165 HydrophobicContact CG-CG2 3.75Å; E133-V165 HydrophobicContact CG-CG1 4.32Å; E133-V165 HydrophobicContact CG-CG2 4.47Å |
| 166 | W | 98.7 | Very high | 87.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.1 | 179 | -59.3 | 78.1 | 0 | 0 | 0 | 111.4 | C62 Y63 Q64 S164 L206 P214 | C62-W166 HydrophobicContact CB-CE3 4.49Å; Y63-W166 VanDerWaalsContact C-CE3 3.42Å; Y63-W166 CarbonylContact O-C 3.53Å; Y63-W166 WeakPolarHBondContact O-CA 3.35Å; Q64-W166 VanDerWaalsContact CA-CE3 3.49Å; Q64-W166 HydrophobicContact CB-CD2 4.13Å; Q64-W166 HydrophobicContact CB-CE3 3.75Å; Q64-W166 HydrophobicContact CB-CH2 3.76Å; Q64-W166 HydrophobicContact CB-CZ2 4.12Å; Q64-W166 HydrophobicContact CB-CZ3 3.57Å; Q64-W166 HydrophobicContact CG-CD2 4.2Å; Q64-W166 HydrophobicContact CG-CE3 4.3Å; Q64-W166 HydrophobicContact CG-CH2 3.92Å; Q64-W166 HydrophobicContact CG-CZ2 3.78Å; Q64-W166 HydrophobicContact CG-CZ3 4.18Å; Q64-W166 VanDerWaalsContact N-CE3 3.32Å; S164-W166 PolarHBondContact OG-NE1 3.18Å; W166-L206 HydrophobicContact CB-CB 4.16Å; W166-L206 PolarHBondContact N-O 3.26Å; W166-L206 PolarHBondContact O-N 2.95Å; W166-P214 HydrophobicContact CD2-CG 3.75Å; W166-P214 HydrophobicContact CE3-CG 3.57Å; W166-P214 HydrophobicContact CG-CG 4.47Å; W166-P214 HydrophobicContact CH2-CG 3.85Å; W166-P214 HydrophobicContact CZ2-CG 4.03Å; W166-P214 HydrophobicContact CZ3-CG 3.61Å |
| 167 | A | 98.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y63 L65 W204 Y229 | Y63-A167 PolarHBondContact N-O 2.76Å; Y63-A167 PolarHBondContact O-N 3.45Å; L65-A167 HydrophobicContact CD1-CB 4.15Å; L65-A167 HydrophobicContact CD2-CB 4.17Å; L65-A167 HydrophobicContact CG-CB 4.46Å; A167-W204 CarbonylContact C-O 3.55Å; A167-W204 WeakPolarHBondContact CA-O 3.12Å; A167-Y229 HydrophobicContact CB-CD2 3.75Å; A167-Y229 HydrophobicContact CB-CE2 3.42Å; A167-Y229 VanDerWaalsContact CB-CE2 3.42Å |
| 168 | V | 97.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.5 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 108 | F60 I61 P182 W193 W204 L206 I218 | F60-V168 HydrophobicContact CB-CG1 4.05Å; F60-V168 HydrophobicContact CD1-CG1 4.43Å; F60-V168 HydrophobicContact CG-CG1 4.46Å; I61-V168 WeakPolarHBondContact O-CA 3.31Å; V168-P182 HydrophobicContact CG1-CG 4.14Å; V168-W193 HydrophobicContact CB-CH2 3.95Å; V168-W193 HydrophobicContact CB-CZ3 4.01Å; V168-W193 HydrophobicContact CG1-CH2 4.13Å; V168-W193 HydrophobicContact CG2-CH2 3.98Å; V168-W193 HydrophobicContact CG2-CZ3 3.71Å; V168-W204 HydrophobicContact CB-CB 4.46Å; V168-W204 HydrophobicContact CG1-CE3 4.43Å; V168-W204 PolarHBondContact N-O 3.38Å; V168-W204 PolarHBondContact O-N 2.94Å; V168-L206 HydrophobicContact CG2-CB 4.19Å; V168-L206 HydrophobicContact CG2-CD2 4.19Å; V168-I218 HydrophobicContact CG1-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CD1 3.76Å |
| 169 | L | 95.8 | Very high | 83.3 | Confident | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 152.6 | 176.7 | -56.7 | -176.5 | 0 | 0 | 0 | 109.8 | F60 I61 Y63 M202 H232 | F60-L169 CarbonylContact C-O 3.53Å; F60-L169 WeakPolarHBondContact CA-O 3.49Å; I61-L169 PolarHBondContact N-O 2.75Å; I61-L169 PolarHBondContact O-N 3.09Å; Y63-L169 HydrophobicContact CD2-CD1 4.28Å; Y63-L169 HydrophobicContact CD2-CG 4.23Å; Y63-L169 HydrophobicContact CE2-CB 4.12Å; Y63-L169 HydrophobicContact CE2-CD1 3.67Å; Y63-L169 HydrophobicContact CE2-CG 3.87Å; L169-M202 WeakPolarHBondContact CD2-O 3.16Å; L169-H232 HydrophobicContact CD1-CB 4.25Å; L169-H232 WeakPolarHBondContact CD1-CD2 3.49Å |
| 170 | S | 91.8 | Very high | 82.8 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 143.5 | 171.6 | -169 | 0 | 0 | 0 | 0 | 111.2 | Q59 Q172 | Q59-S170 WeakPolarHBondContact O-CA 3.23Å; Q59-S170 PolarHBondContact O-OG 2.74Å; Q59-S170 VanDerWaalsContact O-OG 3.11Å; S170-Q172 PolarHBondContact O-N 2.71Å; S170-Q172 PolarHBondContact OG-N 2.94Å |
| 171 | Q | 82.9 | Confident | 82.5 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -80.3 | 21 | 169.9 | -64.6 | -165 | -1.4 | 0 | 0 | 112.8 | G58 Q59 I61 S173 | G58-Q171 WeakPolarHBondContact O-CG 3.42Å; G58-Q171 PolarHBondContact O-NE2 3.08Å; G58-Q171 PolarHBondContact O-OE1 3.44Å; G58-Q171 VanDerWaalsContact O-OE1 3.04Å; Q59-Q171 PolarHBondContact O-N 2.89Å; I61-Q171 HydrophobicContact CD1-CG 3.82Å; I61-Q171 HydrophobicContact CG1-CG 3.66Å; I61-Q171 VanDerWaalsContact CG1-NE2 3.29Å; Q171-S173 PolarHBondContact O-N 3.48Å | ||
| 172 | Q | 68.4 | Low | 82.2 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | trans | -58.8 | 125 | -174.5 | -98 | -178.4 | -18.8 | 0 | 0 | 112.2 | S170 Q177 A179 | S170-Q172 PolarHBondContact O-N 2.71Å; S170-Q172 PolarHBondContact OG-N 2.94Å; Q172-Q177 PolarHBondContact OE1-O 3.03Å; Q172-A179 VanDerWaalsContact OE1-CB 3.22Å | ||
| 173 | S | 52.3 | Low | 82 | Confident | 127 Ų | 127 | 70 Ų | 70 | 89% | 0.888 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -89 | 2 | -174.6 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | Q171 | Q171-S173 PolarHBondContact O-N 3.48Š|
| 174 | N | 57.3 | Low | 81.9 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | trans | -128.9 | 111.2 | -176.3 | -164.8 | 9.3 | 0 | 0 | 0 | 110.7 | D176 Q177 | N174-D176 PolarHBondContact O-N 2.9Å; N174-Q177 PolarHBondContact O-N 2.93Å | ||
| 175 | P | 58.1 | Low | 81.8 | Confident | 122 Ų | 122 | 74.2 Ų | 74.2 | 79% | 0.792 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.8 | -172.3 | 27 | -35.2 | 0 | 0 | 0 | 114.6 | Q177 | P175-Q177 VanDerWaalsContact C-N 3.33Å; P175-Q177 PolarHBondContact O-N 3.41Å |
| 176 | D | 57 | Low | 81.6 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 79% | 0.786 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.1 | -178.5 | -66.6 | -35.2 | 0 | 0 | 0 | 114.4 | N174 | N174-D176 PolarHBondContact O-N 2.9Š|
| 177 | Q | 64 | Low | 81.4 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -113.3 | 127.7 | 175.8 | -69.8 | -171.2 | -2.2 | 0 | 0 | 111.2 | Q172 N174 P175 A179 | Q172-Q177 PolarHBondContact OE1-O 3.03Å; N174-Q177 PolarHBondContact O-N 2.93Å; P175-Q177 VanDerWaalsContact C-N 3.33Å; P175-Q177 PolarHBondContact O-N 3.41Å; Q177-A179 PolarHBondContact O-N 3.16Å |
| 178 | E | 66.6 | Low | 81.1 | Confident | 189 Ų | 189 | 84.5 Ų | 84.5 | 88% | 0.883 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 130.5 | 169.1 | -71.1 | -174.7 | 165.9 | 0 | 0 | 110.3 | R180 | E178-R180 PolarHBondContact O-N 3.4Š|
| 179 | A | 76.4 | Confident | 81 | Confident | 38 Ų | 38 | 87.2 Ų | 87.2 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 120.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q172 Q177 K181 W204 | Q172-A179 VanDerWaalsContact OE1-CB 3.22Å; Q177-A179 PolarHBondContact O-N 3.16Å; A179-K181 PolarHBondContact O-N 3.4Å; A179-W204 HydrophobicContact CB-CH2 3.65Å; A179-W204 HydrophobicContact CB-CZ2 4.43Å; A179-W204 HydrophobicContact CB-CZ3 4.5Å; A179-W204 WeakPolarHBondContact O-CH2 3.4Å; A179-W204 WeakPolarHBondContact O-CZ2 3.35Å |
| 180 | R | 85.7 | Confident | 81 | Confident | 178 Ų | 178 | 87.7 Ų | 87.7 | 67% | 0.672 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 130.4 | 175.6 | 178.1 | 173.8 | 171.8 | 164.2 | -4 | 110.1 | E178 E183 W204 | E178-R180 PolarHBondContact O-N 3.4Å; R180-E183 IonicContact CZ-OE1 2.67Å; R180-E183 IonicContact NE-OE1 2.86Å; R180-E183 IonicContact NH2-OE1 3.61Å; R180-E183 PolarHBondContact NH2-OE1 3.12Å; R180-W204 WeakPolarHBondContact O-CH2 3.42Å |
| 181 | K | 91.5 | Very high | 81.1 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -53 | 125.4 | 173 | -173.6 | 170.4 | -174.7 | -178.2 | 0 | 110.1 | A179 W193 E194 W204 | A179-K181 PolarHBondContact O-N 3.4Å; K181-W193 VanDerWaalsContact CE-O 3.28Å; K181-W193 WeakPolarHBondContact CE-O 3.28Å; K181-W193 HydrophobicContact CG-CZ2 4.05Å; K181-W193 PolarHBondContact NZ-O 3.21Å; K181-E194 IonicContact NZ-OE2 2.78Å; K181-E194 PolarHBondContact NZ-OE2 3.09Å; K181-W204 HydrophobicContact CB-CZ2 4Å; K181-W204 HydrophobicContact CG-CD2 4.35Å; K181-W204 HydrophobicContact CG-CG 4.24Å |
| 182 | P | 91.3 | Very high | 81.8 | Confident | 9 Ų | 9 | 85.7 Ų | 85.7 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -59 | 141.5 | 176.1 | -13.6 | 17.1 | 0 | 0 | 0 | 111.7 | F60 V168 W193 W204 I218 | F60-P182 HydrophobicContact CD1-CG 3.74Å; F60-P182 HydrophobicContact CD2-CB 4.27Å; F60-P182 HydrophobicContact CD2-CG 4.03Å; F60-P182 HydrophobicContact CE1-CG 3.6Å; F60-P182 HydrophobicContact CE2-CB 3.98Å; F60-P182 HydrophobicContact CE2-CG 3.9Å; F60-P182 HydrophobicContact CG-CG 3.96Å; F60-P182 HydrophobicContact CZ-CB 4.11Å; F60-P182 HydrophobicContact CZ-CG 3.68Å; V168-P182 HydrophobicContact CG1-CG 4.14Å; P182-W193 HydrophobicContact CB-CH2 4.33Å; P182-W193 HydrophobicContact CB-CZ2 3.82Å; P182-W193 HydrophobicContact CG-CH2 3.78Å; P182-W193 HydrophobicContact CG-CZ2 3.67Å; P182-W193 WeakPolarHBondContact O-CZ2 3.38Å; P182-W193 PolarHBondContact O-NE1 3.43Å; P182-W193 VanDerWaalsContact O-NE1 3.15Å; P182-W204 VanDerWaalsContact CD-CE3 3.5Å; P182-W204 HydrophobicContact CG-CE3 4.18Å; P182-W204 HydrophobicContact CG-CZ3 4.3Å; P182-I218 HydrophobicContact CB-CG2 3.79Å; P182-I218 HydrophobicContact CG-CG2 4.29Å |
| 183 | E | 93.3 | Very high | 83.1 | Confident | 140 Ų | 140 | 83.9 Ų | 83.9 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 136.7 | 168.7 | -72.9 | 170.6 | -155.4 | 0 | 0 | 109.3 | R180 | R180-E183 IonicContact CZ-OE1 2.67Å; R180-E183 IonicContact NE-OE1 2.86Å; R180-E183 IonicContact NH2-OE1 3.61Å; R180-E183 PolarHBondContact NH2-OE1 3.12Å |
| 184 | L | 95.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 130.9 | 176.4 | -57.8 | -176.3 | 0 | 0 | 0 | 109.3 | A186 P187 A190 W193 I217 I218 | L184-A186 PolarHBondContact O-N 3Å; L184-P187 HydrophobicContact CB-CB 4.23Å; L184-A190 HydrophobicContact CD1-CB 3.5Å; L184-W193 HydrophobicContact CD1-CB 4.04Å; L184-W193 HydrophobicContact CD1-CD2 4.18Å; L184-W193 HydrophobicContact CD1-CG 3.66Å; L184-W193 HydrophobicContact CD2-CD2 4.34Å; L184-W193 HydrophobicContact CD2-CZ2 4.22Å; L184-W193 HydrophobicContact CG-CD2 4.42Å; L184-W193 HydrophobicContact CG-CG 4.21Å; L184-I217 WeakPolarHBondContact CA-O 3.3Å; L184-I217 HydrophobicContact CD2-CD1 4.31Å; L184-I217 HydrophobicContact CD2-CG1 4.44Å; L184-I218 HydrophobicContact CD2-CD1 4.14Å; L184-I218 HydrophobicContact CD2-CG1 3.43Å; L184-I218 VanDerWaalsContact CD2-CG1 3.43Å |
| 185 | S | 96.3 | Very high | 87 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -70.7 | -20.6 | 173.9 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | I217 | S185-I217 PolarHBondContact N-O 3.14Å; S185-I217 WeakPolarHBondContact OG-CA 3.49Å; S185-I217 PolarHBondContact OG-O 3.37Å |
| 186 | A | 95 | Very high | 88.9 | Confident | 10 Ų | 10 | 73 Ų | 73 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -140.2 | 69.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L184 E188 K189 I217 | L184-A186 PolarHBondContact O-N 3Å; A186-E188 WeakPolarHBondContact CA-OE2 3.38Å; A186-E188 WeakPolarHBondContact CB-OE1 3.39Å; A186-E188 PolarHBondContact O-N 2.96Å; A186-K189 HydrophobicContact CB-CD 3.76Å; A186-K189 HydrophobicContact CB-CG 4.13Å; A186-K189 PolarHBondContact O-N 2.9Å; A186-I217 HydrophobicContact CB-CG2 3.92Å |
| 187 | P | 93.9 | Very high | 90.8 | Very high | 80 Ų | 80 | 67.1 Ų | 67.1 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -63.1 | -24.9 | -173.1 | 27.2 | -35.4 | 0 | 0 | 0 | 113.2 | L184 K189 A190 | L184-P187 HydrophobicContact CB-CB 4.23Å; P187-K189 PolarHBondContact O-N 3.25Å; P187-A190 PolarHBondContact O-N 2.91Å; P187-A190 VanDerWaalsContact O-N 3.1Å |
| 188 | E | 93.3 | Very high | 92.4 | Very high | 146 Ų | 146 | 61.3 Ų | 61.3 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -66.2 | -16.9 | 177.2 | 75.9 | -65.1 | 158.5 | 0 | 0 | 114 | A186 | A186-E188 WeakPolarHBondContact CA-OE2 3.38Å; A186-E188 WeakPolarHBondContact CB-OE1 3.39Å; A186-E188 PolarHBondContact O-N 2.96Å |
| 189 | K | 94.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -80.2 | -21.9 | 173.2 | -63 | 178.4 | -176.4 | 174.3 | 0 | 112.8 | A186 P187 L208 F212 I217 | A186-K189 HydrophobicContact CB-CD 3.76Å; A186-K189 HydrophobicContact CB-CG 4.13Å; A186-K189 PolarHBondContact O-N 2.9Å; P187-K189 PolarHBondContact O-N 3.25Å; K189-L208 HydrophobicContact CB-CD2 4.43Å; K189-L208 WeakPolarHBondContact O-CD2 3.42Å; K189-F212 HydrophobicContact CB-CD2 3.99Å; K189-F212 HydrophobicContact CB-CE2 4.16Å; K189-F212 HydrophobicContact CB-CG 4.34Å; K189-F212 HydrophobicContact CD-CD1 3.92Å; K189-F212 HydrophobicContact CD-CD2 4.5Å; K189-F212 HydrophobicContact CD-CE1 4.05Å; K189-F212 HydrophobicContact CD-CG 4.17Å; K189-F212 HydrophobicContact CD-CZ 4.4Å; K189-F212 HydrophobicContact CG-CD1 4.42Å; K189-F212 HydrophobicContact CG-CD2 4.26Å; K189-F212 HydrophobicContact CG-CE1 4.27Å; K189-F212 HydrophobicContact CG-CE2 4.11Å; K189-F212 HydrophobicContact CG-CG 4.42Å; K189-F212 HydrophobicContact CG-CZ 4.12Å; K189-I217 HydrophobicContact CD-CG2 3.94Å |
| 190 | A | 95.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 55.2 Ų | 55.2 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L184 P187 W193 L206 L208 | L184-A190 HydrophobicContact CD1-CB 3.5Å; P187-A190 PolarHBondContact O-N 2.91Å; P187-A190 VanDerWaalsContact O-N 3.1Å; A190-W193 HydrophobicContact CB-CB 4.02Å; A190-L206 HydrophobicContact CB-CD1 3.79Å; A190-L208 HydrophobicContact CB-CD2 4.42Å |
| 191 | V | 94.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -32.7 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | F131 L163 V207 | F131-V191 HydrophobicContact CD2-CG1 4.12Å; F131-V191 HydrophobicContact CE2-CG1 3.15Å; F131-V191 HydrophobicContact CZ-CG1 3.51Å; L163-V191 HydrophobicContact CD1-CG1 4.25Å; L163-V191 HydrophobicContact CD2-CG2 4.1Å; V191-V207 HydrophobicContact CB-CB 4.38Å; V191-V207 HydrophobicContact CB-CG1 4.1Å; V191-V207 HydrophobicContact CG1-CG1 4.34Å; V191-V207 PolarHBondContact N-O 2.7Å |
| 192 | V | 96.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.1 | 167.5 | -180 | 0 | 0 | 0 | 0 | 106.9 | Y119 F131 E194 L206 V207 | Y119-V192 HydrophobicContact CD1-CG1 3.55Å; Y119-V192 HydrophobicContact CD2-CG1 4.14Å; Y119-V192 HydrophobicContact CD2-CG2 3.85Å; Y119-V192 HydrophobicContact CE1-CG1 3.9Å; Y119-V192 HydrophobicContact CE2-CG1 4.43Å; Y119-V192 HydrophobicContact CG-CB 4.42Å; Y119-V192 HydrophobicContact CG-CG1 3.68Å; Y119-V192 HydrophobicContact CG-CG2 3.84Å; F131-V192 HydrophobicContact CD2-CG2 4.05Å; V192-E194 HydrophobicContact CG1-CB 4.39Å; V192-E194 HydrophobicContact CG1-CG 4.1Å; V192-L206 WeakPolarHBondContact O-CA 3.4Å; V192-V207 HydrophobicContact CB-CB 3.75Å; V192-V207 HydrophobicContact CB-CG2 3.73Å; V192-V207 HydrophobicContact CG2-CB 3.91Å; V192-V207 HydrophobicContact CG2-CG2 3.84Å; V192-V207 PolarHBondContact N-O 3.45Å; V192-V207 PolarHBondContact O-N 2.83Å |
| 193 | W | 96.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 84.8 | 169.5 | 177.8 | -134.5 | 0 | 0 | 0 | 109.6 | V168 K181 P182 L184 A190 W204 R205 L206 I218 | V168-W193 HydrophobicContact CB-CH2 3.95Å; V168-W193 HydrophobicContact CB-CZ3 4.01Å; V168-W193 HydrophobicContact CG1-CH2 4.13Å; V168-W193 HydrophobicContact CG2-CH2 3.98Å; V168-W193 HydrophobicContact CG2-CZ3 3.71Å; K181-W193 VanDerWaalsContact CE-O 3.28Å; K181-W193 WeakPolarHBondContact CE-O 3.28Å; K181-W193 HydrophobicContact CG-CZ2 4.05Å; K181-W193 PolarHBondContact NZ-O 3.21Å; P182-W193 HydrophobicContact CB-CH2 4.33Å; P182-W193 HydrophobicContact CB-CZ2 3.82Å; P182-W193 HydrophobicContact CG-CH2 3.78Å; P182-W193 HydrophobicContact CG-CZ2 3.67Å; P182-W193 WeakPolarHBondContact O-CZ2 3.38Å; P182-W193 PolarHBondContact O-NE1 3.43Å; P182-W193 VanDerWaalsContact O-NE1 3.15Å; L184-W193 HydrophobicContact CD1-CB 4.04Å; L184-W193 HydrophobicContact CD1-CD2 4.18Å; L184-W193 HydrophobicContact CD1-CG 3.66Å; L184-W193 HydrophobicContact CD2-CD2 4.34Å; L184-W193 HydrophobicContact CD2-CZ2 4.22Å; L184-W193 HydrophobicContact CG-CD2 4.42Å; L184-W193 HydrophobicContact CG-CG 4.21Å; A190-W193 HydrophobicContact CB-CB 4.02Å; W193-W204 HydrophobicContact CE3-CB 4.06Å; W193-W204 HydrophobicContact CH2-CB 3.59Å; W193-W204 HydrophobicContact CH2-CD2 4.4Å; W193-W204 AromaticContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CZ2-CB 4.41Å; W193-W204 HydrophobicContact CZ2-CG 4.44Å; W193-W204 HydrophobicContact CZ3-CB 3.37Å; W193-W204 HydrophobicContact CZ3-CG 4.21Å; W193-R205 WeakPolarHBondContact CA-O 3.39Å; W193-L206 HydrophobicContact CB-CD1 4.4Å; W193-L206 HydrophobicContact CD2-CD1 4.35Å; W193-L206 HydrophobicContact CE3-CB 3.72Å; W193-L206 HydrophobicContact CE3-CD1 3.81Å; W193-L206 HydrophobicContact CE3-CG 4.26Å; W193-L206 HydrophobicContact CZ3-CB 3.83Å; W193-L206 HydrophobicContact CZ3-CD1 4.48Å; W193-I218 HydrophobicContact CH2-CD1 4.18Å |
| 194 | E | 95.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.5 | -169.4 | -57.8 | -59.4 | -171.8 | 0 | 0 | 113.4 | T99 A100 K181 V192 W204 R205 | T99-E194 WeakPolarHBondContact CB-OE1 3.41Å; T99-E194 WeakPolarHBondContact OG1-CG 3.5Å; T99-E194 PolarHBondContact OG1-OE1 3.16Å; T99-E194 PolarHBondContact OG1-OE2 3.44Å; A100-E194 HydrophobicContact CB-CB 3.96Å; A100-E194 HydrophobicContact CB-CG 4.45Å; K181-E194 IonicContact NZ-OE2 2.78Å; K181-E194 PolarHBondContact NZ-OE2 3.09Å; V192-E194 HydrophobicContact CG1-CB 4.39Å; V192-E194 HydrophobicContact CG1-CG 4.1Å; E194-W204 CarbonylContact O-C 3.5Å; E194-W204 WeakPolarHBondContact O-CA 3.27Å; E194-W204 WeakPolarHBondContact O-CB 3.38Å; E194-R205 PolarHBondContact N-O 3.1Å; E194-R205 PolarHBondContact O-N 3.16Å |
| 195 | A | 96.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 45% | 0.446 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 146.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P197 | A195-P197 WeakPolarHBondContact O-CD 3.27Å |
| 196 | D | 97.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | trans | -66.6 | 119.1 | 173.1 | -167.2 | -57.8 | 0 | 0 | 0 | 109.1 | R198 M202 G203 R205 | D196-R198 PolarHBondContact O-N 3.06Å; D196-R198 VanDerWaalsContact O-N 3.1Å; D196-R198 VanDerWaalsContact OD1-CB 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.2Å; D196-R198 WeakPolarHBondContact OD1-CG 3.48Å; D196-R198 IonicContact OD1-CZ 3.5Å; D196-R198 PolarHBondContact OD1-N 3.07Å; D196-R198 VanDerWaalsContact OD1-N 3.08Å; D196-R198 IonicContact OD1-NE 3.47Å; D196-R198 PolarHBondContact OD1-NE 3.05Å; D196-R198 IonicContact OD1-NH2 3.43Å; D196-R198 IonicContact OD2-CZ 2.63Å; D196-R198 IonicContact OD2-NE 3.28Å; D196-R198 PolarHBondContact OD2-NE 3.45Å; D196-R198 IonicContact OD2-NH2 3.26Å; D196-R198 PolarHBondContact OD2-NH2 2.92Å; D196-M202 HydrophobicContact CB-CB 3.52Å; D196-M202 VanDerWaalsContact CG-CB 3.47Å; D196-G203 PolarHBondContact N-O 3.36Å; D196-R205 IonicContact OD2-CZ 3.91Å; D196-R205 IonicContact OD2-NH1 3.01Å; D196-R205 PolarHBondContact OD2-NH1 2.99Å | ||
| 197 | P | 96.8 | Very high | 96 | Very high | 25 Ų | 25 | 35 Ų | 35 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -71.8 | -5.1 | -171.5 | 28.4 | -34.9 | 0 | 0 | 0 | 113.9 | A100 L117 A195 | A100-P197 HydrophobicContact CB-CG 4.42Å; L117-P197 HydrophobicContact CD2-CG 4.07Å; L117-P197 HydrophobicContact CG-CG 4.3Å; A195-P197 WeakPolarHBondContact O-CD 3.27Å |
| 198 | R | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -88.6 | -45.3 | -176.1 | -61.9 | 172.2 | -71.7 | -172 | -2.4 | 113 | Y102 D196 L238 E240 M260 | Y102-R198 HydrophobicContact CD1-CG 3.75Å; Y102-R198 HydrophobicContact CD2-CG 3.72Å; Y102-R198 HydrophobicContact CE1-CG 4.17Å; Y102-R198 HydrophobicContact CE2-CG 4.16Å; Y102-R198 HydrophobicContact CG-CG 3.49Å; Y102-R198 VanDerWaalsContact CG-CG 3.49Å; D196-R198 PolarHBondContact O-N 3.06Å; D196-R198 VanDerWaalsContact O-N 3.1Å; D196-R198 VanDerWaalsContact OD1-CB 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.2Å; D196-R198 WeakPolarHBondContact OD1-CG 3.48Å; D196-R198 IonicContact OD1-CZ 3.5Å; D196-R198 PolarHBondContact OD1-N 3.07Å; D196-R198 VanDerWaalsContact OD1-N 3.08Å; D196-R198 IonicContact OD1-NE 3.47Å; D196-R198 PolarHBondContact OD1-NE 3.05Å; D196-R198 IonicContact OD1-NH2 3.43Å; D196-R198 IonicContact OD2-CZ 2.63Å; D196-R198 IonicContact OD2-NE 3.28Å; D196-R198 PolarHBondContact OD2-NE 3.45Å; D196-R198 IonicContact OD2-NH2 3.26Å; D196-R198 PolarHBondContact OD2-NH2 2.92Å; R198-L238 HydrophobicContact CB-CD1 3.8Å; R198-E240 IonicContact CZ-OE2 3.68Å; R198-E240 VanDerWaalsContact CZ-OE2 3.28Å; R198-E240 IonicContact NH1-OE2 2.86Å; R198-E240 PolarHBondContact NH1-OE2 2.85Å; R198-E240 IonicContact NH2-OE2 2.7Å; R198-E240 PolarHBondContact NH2-OE2 2.87Å; R198-M260 HydrophobicContact CB-CB 4.03Å; R198-M260 HydrophobicContact CB-CG 4.13Å; R198-M260 HydrophobicContact CB-SD 4.3Å; R198-M260 HydrophobicContact CG-CB 4.24Å; R198-M260 HydrophobicContact CG-SD 4.43Å |
| 199 | A | 94.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | trans | -161.6 | 137.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q201 M202 L238 W358 | A199-Q201 PolarHBondContact O-N 2.94Å; A199-Q201 VanDerWaalsContact O-N 3.16Å; A199-M202 WeakPolarHBondContact O-CB 3.22Å; A199-M202 PolarHBondContact O-N 3.13Å; A199-L238 HydrophobicContact CB-CD1 3.97Å; A199-W358 HydrophobicContact CB-CD2 4.09Å; A199-W358 HydrophobicContact CB-CE3 4.38Å; A199-W358 HydrophobicContact CB-CG 4.23Å | ||
| 200 | A | 93.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 29.7 Ų | 29.7 | 74% | 0.744 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -59.5 | -29.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | M202 G203 | A200-M202 PolarHBondContact O-N 3.03Å; A200-G203 PolarHBondContact O-N 3.42Å |
| 201 | Q | 93.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -62.9 | -17.2 | 175.3 | -65.7 | 78.8 | 2.6 | 0 | 0 | 113.3 | A199 G203 H232 I236 | A199-Q201 PolarHBondContact O-N 2.94Å; A199-Q201 VanDerWaalsContact O-N 3.16Å; Q201-G203 VanDerWaalsContact C-N 3.29Å; Q201-H232 PolarHBondContact O-NE2 2.63Å; Q201-I236 HydrophobicContact CB-CD1 3.78Å; Q201-I236 HydrophobicContact CB-CG2 4.3Å |
| 202 | M | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -85.4 | 2.7 | 173.2 | -70.6 | -60.8 | -64 | 0 | 0 | 113.6 | L169 D196 A199 A200 W204 Y229 R233 I236 L238 | L169-M202 WeakPolarHBondContact CD2-O 3.16Å; D196-M202 HydrophobicContact CB-CB 3.52Å; D196-M202 VanDerWaalsContact CG-CB 3.47Å; A199-M202 WeakPolarHBondContact O-CB 3.22Å; A199-M202 PolarHBondContact O-N 3.13Å; A200-M202 PolarHBondContact O-N 3.03Å; M202-W204 PolarHBondContact O-N 3.39Å; M202-Y229 HydrophobicContact CE-CD2 4.44Å; M202-Y229 HydrophobicContact CE-CE2 3.44Å; M202-Y229 VanDerWaalsContact CE-CE2 3.44Å; M202-Y229 WeakPolarHBondContact CE-OH 3.47Å; M202-R233 HydrophobicContact CE-CG 3.75Å; M202-R233 HydrophobicContact SD-CG 3.98Å; M202-I236 HydrophobicContact CG-CD1 3.85Å; M202-I236 HydrophobicContact SD-CD1 3.69Å; M202-L238 HydrophobicContact CE-CD2 4.24Å; M202-L238 HydrophobicContact CG-CD1 3.55Å; M202-L238 HydrophobicContact CG-CD2 4.15Å; M202-L238 HydrophobicContact CG-CG 4.4Å; M202-L238 HydrophobicContact SD-CD1 4.35Å; M202-L238 HydrophobicContact SD-CD2 4.08Å |
| 203 | G | 96 | Very high | 96.5 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | trans | 61.4 | -119.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D196 A200 Q201 | D196-G203 PolarHBondContact N-O 3.36Å; A200-G203 PolarHBondContact O-N 3.42Å; Q201-G203 VanDerWaalsContact C-N 3.29Å | ||
| 204 | W | 97.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 35 Ų | 35 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.2 | -173.1 | -55.3 | -81.8 | 0 | 0 | 0 | 113.3 | F60 A167 V168 A179 R180 K181 P182 W193 E194 M202 | F60-W204 HydrophobicContact CD1-CZ3 4.19Å; F60-W204 HydrophobicContact CE1-CH2 4.38Å; F60-W204 AromaticContact CE1-CZ3 3.92Å; F60-W204 HydrophobicContact CE1-CZ3 3.92Å; A167-W204 CarbonylContact C-O 3.55Å; A167-W204 WeakPolarHBondContact CA-O 3.12Å; V168-W204 HydrophobicContact CB-CB 4.46Å; V168-W204 HydrophobicContact CG1-CE3 4.43Å; V168-W204 PolarHBondContact N-O 3.38Å; V168-W204 PolarHBondContact O-N 2.94Å; A179-W204 HydrophobicContact CB-CH2 3.65Å; A179-W204 HydrophobicContact CB-CZ2 4.43Å; A179-W204 HydrophobicContact CB-CZ3 4.5Å; A179-W204 WeakPolarHBondContact O-CH2 3.4Å; A179-W204 WeakPolarHBondContact O-CZ2 3.35Å; R180-W204 WeakPolarHBondContact O-CH2 3.42Å; K181-W204 HydrophobicContact CB-CZ2 4Å; K181-W204 HydrophobicContact CG-CD2 4.35Å; K181-W204 HydrophobicContact CG-CG 4.24Å; P182-W204 VanDerWaalsContact CD-CE3 3.5Å; P182-W204 HydrophobicContact CG-CE3 4.18Å; P182-W204 HydrophobicContact CG-CZ3 4.3Å; W193-W204 HydrophobicContact CE3-CB 4.06Å; W193-W204 HydrophobicContact CH2-CB 3.59Å; W193-W204 HydrophobicContact CH2-CD2 4.4Å; W193-W204 AromaticContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CH2-CG 3.98Å; W193-W204 HydrophobicContact CZ2-CB 4.41Å; W193-W204 HydrophobicContact CZ2-CG 4.44Å; W193-W204 HydrophobicContact CZ3-CB 3.37Å; W193-W204 HydrophobicContact CZ3-CG 4.21Å; E194-W204 CarbonylContact O-C 3.5Å; E194-W204 WeakPolarHBondContact O-CA 3.27Å; E194-W204 WeakPolarHBondContact O-CB 3.38Å; M202-W204 PolarHBondContact O-N 3.39Å |
| 205 | R | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.7 | 169 | -79.4 | -67.3 | -151.3 | -103.1 | 16.5 | 109.9 | L117 Y119 E133 W193 E194 D196 Y229 E240 | L117-R205 HydrophobicContact CD2-CG 4.06Å; Y119-R205 HydrophobicContact CE1-CB 4.19Å; Y119-R205 WeakPolarHBondContact OH-CB 3.32Å; Y119-R205 VanDerWaalsContact OH-CG 3.26Å; Y119-R205 WeakPolarHBondContact OH-CG 3.45Å; E133-R205 IonicContact OE1-CZ 3.46Å; E133-R205 IonicContact OE1-NE 2.81Å; E133-R205 PolarHBondContact OE1-NE 3.25Å; E133-R205 IonicContact OE1-NH2 3.28Å; E133-R205 PolarHBondContact OE1-NH2 3.47Å; E133-R205 IonicContact OE2-CZ 3.59Å; E133-R205 IonicContact OE2-NE 2.86Å; E133-R205 PolarHBondContact OE2-NE 3.08Å; E133-R205 IonicContact OE2-NH2 3.49Å; W193-R205 WeakPolarHBondContact CA-O 3.39Å; E194-R205 PolarHBondContact N-O 3.1Å; E194-R205 PolarHBondContact O-N 3.16Å; D196-R205 IonicContact OD2-CZ 3.91Å; D196-R205 IonicContact OD2-NH1 3.01Å; D196-R205 PolarHBondContact OD2-NH1 2.99Å; R205-Y229 PolarHBondContact NH1-OH 3.47Å; R205-Y229 PolarHBondContact NH2-OH 2.86Å; R205-E240 IonicContact CZ-OE2 2.72Å; R205-E240 IonicContact NH1-OE2 3.75Å; R205-E240 IonicContact NH2-OE1 2.82Å; R205-E240 IonicContact NH2-OE2 3.67Å; R205-E240 PolarHBondContact NH2-OE2 2.78Å |
| 206 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.8 | 178.8 | 176.6 | 63.5 | 0 | 0 | 0 | 109.2 | W166 V168 A190 V192 W193 L208 P214 I218 | W166-L206 HydrophobicContact CB-CB 4.16Å; W166-L206 PolarHBondContact N-O 3.26Å; W166-L206 PolarHBondContact O-N 2.95Å; V168-L206 HydrophobicContact CG2-CB 4.19Å; V168-L206 HydrophobicContact CG2-CD2 4.19Å; A190-L206 HydrophobicContact CB-CD1 3.79Å; V192-L206 WeakPolarHBondContact O-CA 3.4Å; W193-L206 HydrophobicContact CB-CD1 4.4Å; W193-L206 HydrophobicContact CD2-CD1 4.35Å; W193-L206 HydrophobicContact CE3-CB 3.72Å; W193-L206 HydrophobicContact CE3-CD1 3.81Å; W193-L206 HydrophobicContact CE3-CG 4.26Å; W193-L206 HydrophobicContact CZ3-CB 3.83Å; W193-L206 HydrophobicContact CZ3-CD1 4.48Å; L206-L208 HydrophobicContact CD1-CD2 4.11Å; L206-L208 HydrophobicContact CD1-CG 4.21Å; L206-L208 HydrophobicContact CD2-CD1 4.05Å; L206-L208 HydrophobicContact CD2-CG 4.33Å; L206-L208 HydrophobicContact CG-CD1 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.47Å; L206-L208 HydrophobicContact CG-CG 4.03Å; L206-P214 HydrophobicContact CD2-CB 3.68Å; L206-I218 HydrophobicContact CD2-CD1 3.82Å |
| 207 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.7 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | L70 L163 S164 V191 V192 | L70-V207 HydrophobicContact CD1-CB 4.28Å; L70-V207 HydrophobicContact CD1-CG1 3.37Å; L70-V207 HydrophobicContact CD1-CG2 3.83Å; L163-V207 HydrophobicContact CB-CG1 3.95Å; L163-V207 HydrophobicContact CD1-CG1 3.95Å; L163-V207 HydrophobicContact CD2-CG1 4.44Å; L163-V207 HydrophobicContact CG-CG1 4.34Å; S164-V207 WeakPolarHBondContact O-CA 3.5Å; V191-V207 HydrophobicContact CB-CB 4.38Å; V191-V207 HydrophobicContact CB-CG1 4.1Å; V191-V207 HydrophobicContact CG1-CG1 4.34Å; V191-V207 PolarHBondContact N-O 2.7Å; V192-V207 HydrophobicContact CB-CB 3.75Å; V192-V207 HydrophobicContact CB-CG2 3.73Å; V192-V207 HydrophobicContact CG2-CB 3.91Å; V192-V207 HydrophobicContact CG2-CG2 3.84Å; V192-V207 PolarHBondContact N-O 3.45Å; V192-V207 PolarHBondContact O-N 2.83Å |
| 208 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 151.6 | -178 | -66.5 | 174.3 | 0 | 0 | 0 | 110.3 | L163 S164 K189 A190 L206 F212 P214 I217 | L163-L208 CarbonylContact C-O 3.55Å; L163-L208 WeakPolarHBondContact CA-O 3.24Å; S164-L208 PolarHBondContact N-O 3.46Å; S164-L208 PolarHBondContact O-N 2.64Å; S164-L208 VanDerWaalsContact O-N 3.16Å; S164-L208 PolarHBondContact OG-O 3Å; K189-L208 HydrophobicContact CB-CD2 4.43Å; K189-L208 WeakPolarHBondContact O-CD2 3.42Å; A190-L208 HydrophobicContact CB-CD2 4.42Å; L206-L208 HydrophobicContact CD1-CD2 4.11Å; L206-L208 HydrophobicContact CD1-CG 4.21Å; L206-L208 HydrophobicContact CD2-CD1 4.05Å; L206-L208 HydrophobicContact CD2-CG 4.33Å; L206-L208 HydrophobicContact CG-CD1 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.47Å; L206-L208 HydrophobicContact CG-CG 4.03Å; L208-F212 HydrophobicContact CB-CB 4.32Å; L208-F212 HydrophobicContact CD1-CB 4.43Å; L208-F212 HydrophobicContact CD2-CB 4.45Å; L208-P214 HydrophobicContact CD1-CB 3.99Å; L208-P214 HydrophobicContact CD1-CG 4.45Å; L208-I217 HydrophobicContact CD1-CD1 4.1Å; L208-I217 HydrophobicContact CD2-CD1 3.65Å; L208-I217 HydrophobicContact CG-CD1 4.48Å |
| 209 | Q | 97.9 | Very high | 96 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 143.7 | 161.6 | -58.5 | -176.1 | 7.1 | 0 | 0 | 109.5 | E162 L163 Q211 F212 | E162-Q209 CarbonylContact O-C 3.55Å; E162-Q209 WeakPolarHBondContact O-CA 3.35Å; L163-Q209 HydrophobicContact CD2-CG 3.95Å; Q209-Q211 PolarHBondContact O-N 2.93Å; Q209-F212 HydrophobicContact CB-CD2 3.89Å; Q209-F212 HydrophobicContact CB-CE2 4.06Å; Q209-F212 HydrophobicContact CG-CD2 4.48Å; Q209-F212 HydrophobicContact CG-CE2 4.32Å; Q209-F212 PolarHBondContact O-N 2.72Å |
| 210 | N | 96.3 | Very high | 95.8 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.4 | -170.6 | -70.6 | -21.1 | 0 | 0 | 0 | 115.1 | P161 E162 L163 S164 F212 | P161-N210 PolarHBondContact O-ND2 2.71Å; E162-N210 VanDerWaalsContact O-CG 3.29Å; E162-N210 PolarHBondContact O-N 3.09Å; E162-N210 PolarHBondContact O-OD1 3.22Å; L163-N210 PolarHBondContact O-OD1 3.04Å; S164-N210 WeakPolarHBondContact CB-OD1 3.46Å; S164-N210 PolarHBondContact N-OD1 3.15Å; N210-F212 VanDerWaalsContact C-N 3.3Å |
| 211 | Q | 95.4 | Very high | 95.7 | Very high | 127 Ų | 127 | 41.8 Ų | 41.8 | 59% | 0.593 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6 | 175.7 | 75.8 | -83.6 | 11.9 | 0 | 0 | 114.7 | Q209 | Q209-Q211 PolarHBondContact O-N 2.93Š|
| 212 | F | 96.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | trans | -103 | 135.4 | 178.6 | -59.1 | -47.9 | 0 | 0 | 0 | 111.8 | K189 L208 Q209 N210 | K189-F212 HydrophobicContact CB-CD2 3.99Å; K189-F212 HydrophobicContact CB-CE2 4.16Å; K189-F212 HydrophobicContact CB-CG 4.34Å; K189-F212 HydrophobicContact CD-CD1 3.92Å; K189-F212 HydrophobicContact CD-CD2 4.5Å; K189-F212 HydrophobicContact CD-CE1 4.05Å; K189-F212 HydrophobicContact CD-CG 4.17Å; K189-F212 HydrophobicContact CD-CZ 4.4Å; K189-F212 HydrophobicContact CG-CD1 4.42Å; K189-F212 HydrophobicContact CG-CD2 4.26Å; K189-F212 HydrophobicContact CG-CE1 4.27Å; K189-F212 HydrophobicContact CG-CE2 4.11Å; K189-F212 HydrophobicContact CG-CG 4.42Å; K189-F212 HydrophobicContact CG-CZ 4.12Å; L208-F212 HydrophobicContact CB-CB 4.32Å; L208-F212 HydrophobicContact CD1-CB 4.43Å; L208-F212 HydrophobicContact CD2-CB 4.45Å; Q209-F212 HydrophobicContact CB-CD2 3.89Å; Q209-F212 HydrophobicContact CB-CE2 4.06Å; Q209-F212 HydrophobicContact CG-CD2 4.48Å; Q209-F212 HydrophobicContact CG-CE2 4.32Å; Q209-F212 PolarHBondContact O-N 2.72Å; N210-F212 VanDerWaalsContact C-N 3.3Å | ||
| 213 | N | 95.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 48 Ų | 48 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | -102.5 | 126.9 | 179.6 | 178.9 | 2.4 | 0 | 0 | 0 | 110.1 | L215 E216 | N213-L215 PolarHBondContact O-N 2.98Å; N213-L215 WeakPolarHBondContact OD1-CB 3.3Å; N213-L215 VanDerWaalsContact OD1-CG 3.31Å; N213-L215 WeakPolarHBondContact OD1-CG 3.4Å; N213-L215 PolarHBondContact OD1-N 3.31Å; N213-L215 VanDerWaalsContact OD1-N 3.15Å; N213-E216 HydrophobicContact CB-CG 4.11Å; N213-E216 WeakPolarHBondContact CB-OE1 3.48Å; N213-E216 PolarHBondContact ND2-OE1 3.22Å; N213-E216 PolarHBondContact O-N 2.82Å; N213-E216 VanDerWaalsContact O-N 3.1Å | ||
| 214 | P | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.9 | -27.2 | 179.7 | 26.3 | -36.7 | 0 | 0 | 0 | 113.4 | C62 W166 L206 L208 E216 I217 I218 | C62-P214 HydrophobicContact CB-CB 4.25Å; C62-P214 HydrophobicContact CB-CG 4.03Å; W166-P214 HydrophobicContact CD2-CG 3.75Å; W166-P214 HydrophobicContact CE3-CG 3.57Å; W166-P214 HydrophobicContact CG-CG 4.47Å; W166-P214 HydrophobicContact CH2-CG 3.85Å; W166-P214 HydrophobicContact CZ2-CG 4.03Å; W166-P214 HydrophobicContact CZ3-CG 3.61Å; L206-P214 HydrophobicContact CD2-CB 3.68Å; L208-P214 HydrophobicContact CD1-CB 3.99Å; L208-P214 HydrophobicContact CD1-CG 4.45Å; P214-E216 PolarHBondContact O-N 3Å; P214-I217 WeakPolarHBondContact O-CG1 3.45Å; P214-I217 PolarHBondContact O-N 3.38Å; P214-I217 VanDerWaalsContact O-N 3.16Å; P214-I218 HydrophobicContact CB-CD1 4.49Å; P214-I218 PolarHBondContact O-N 3.22Å |
| 215 | L | 95.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.2 | 177.8 | -58.2 | 170.1 | 0 | 0 | 0 | 113.4 | N213 C221 K223 | N213-L215 PolarHBondContact O-N 2.98Å; N213-L215 WeakPolarHBondContact OD1-CB 3.3Å; N213-L215 VanDerWaalsContact OD1-CG 3.31Å; N213-L215 WeakPolarHBondContact OD1-CG 3.4Å; N213-L215 PolarHBondContact OD1-N 3.31Å; N213-L215 VanDerWaalsContact OD1-N 3.15Å; L215-C221 HydrophobicContact CD2-CB 4.15Å; L215-C221 WeakPolarHBondContact CD2-O 3.4Å; L215-K223 HydrophobicContact CD1-CB 4.21Å; L215-K223 HydrophobicContact CD2-CB 4.42Å |
| 216 | E | 95.3 | Very high | 95.6 | Very high | 123 Ų | 123 | 53.6 Ų | 53.6 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -86.6 | -16 | 179.2 | -66.2 | 167 | -157 | 0 | 0 | 112.4 | N213 P214 | N213-E216 HydrophobicContact CB-CG 4.11Å; N213-E216 WeakPolarHBondContact CB-OE1 3.48Å; N213-E216 PolarHBondContact ND2-OE1 3.22Å; N213-E216 PolarHBondContact O-N 2.82Å; N213-E216 VanDerWaalsContact O-N 3.1Å; P214-E216 PolarHBondContact O-N 3Å |
| 217 | I | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -20.7 | -173.6 | 64.1 | 167.6 | 0 | 0 | 0 | 114.2 | L184 S185 A186 K189 L208 P214 | L184-I217 WeakPolarHBondContact CA-O 3.3Å; L184-I217 HydrophobicContact CD2-CD1 4.31Å; L184-I217 HydrophobicContact CD2-CG1 4.44Å; S185-I217 PolarHBondContact N-O 3.14Å; S185-I217 WeakPolarHBondContact OG-CA 3.49Å; S185-I217 PolarHBondContact OG-O 3.37Å; A186-I217 HydrophobicContact CB-CG2 3.92Å; K189-I217 HydrophobicContact CD-CG2 3.94Å; L208-I217 HydrophobicContact CD1-CD1 4.1Å; L208-I217 HydrophobicContact CD2-CD1 3.65Å; L208-I217 HydrophobicContact CG-CD1 4.48Å; P214-I217 WeakPolarHBondContact O-CG1 3.45Å; P214-I217 PolarHBondContact O-N 3.38Å; P214-I217 VanDerWaalsContact O-N 3.16Å |
| 218 | I | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -106.4 | 113.9 | 172.9 | -63.8 | 163.1 | 0 | 0 | 0 | 108.9 | F60 V168 P182 L184 W193 L206 P214 C221 | F60-I218 HydrophobicContact CD2-CG2 4.19Å; V168-I218 HydrophobicContact CG1-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CD1 3.76Å; P182-I218 HydrophobicContact CB-CG2 3.79Å; P182-I218 HydrophobicContact CG-CG2 4.29Å; L184-I218 HydrophobicContact CD2-CD1 4.14Å; L184-I218 HydrophobicContact CD2-CG1 3.43Å; L184-I218 VanDerWaalsContact CD2-CG1 3.43Å; W193-I218 HydrophobicContact CH2-CD1 4.18Å; L206-I218 HydrophobicContact CD2-CD1 3.82Å; P214-I218 HydrophobicContact CB-CD1 4.49Å; P214-I218 PolarHBondContact O-N 3.22Å; I218-C221 HydrophobicContact CB-CB 3.97Å; I218-C221 HydrophobicContact CG2-CB 3.77Å; I218-C221 PolarHBondContact O-N 3.33Å |
| 219 | A | 91.8 | Very high | 95.4 | Very high | 78 Ų | 78 | 58.3 Ų | 58.3 | 65% | 0.645 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 138.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C221 | A219-C221 PolarHBondContact O-N 3.15Š|
| 220 | S | 90.6 | Very high | 95.4 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25 | 179.8 | -53.6 | 0 | 0 | 0 | 0 | 115 | G58 Q59 F60 | G58-S220 CarbonylContact C-O 3.51Å; G58-S220 VanDerWaalsContact C-O 3.23Å; G58-S220 WeakPolarHBondContact CA-O 3.09Å; Q59-S220 PolarHBondContact N-O 2.86Å; F60-S220 PolarHBondContact N-O 3.29Å |
| 221 | C | 92.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 144.4 | 168 | -150 | 0 | 0 | 0 | 0 | 112 | F60 I61 C62 L215 I218 A219 | F60-C221 HydrophobicContact CB-CB 4.36Å; F60-C221 CarbonylContact O-C 3.55Å; F60-C221 WeakPolarHBondContact O-CA 3.29Å; F60-C221 PolarHBondContact O-SG 2.54Å; I61-C221 VanDerWaalsContact C-SG 3.58Å; C62-C221 HydrophobicContact CB-CB 4.44Å; C62-C221 WeakPolarHBondContact CB-SG 3.44Å; C62-C221 PolarHBondContact N-SG 2.64Å; C62-C221 WeakPolarHBondContact SG-CB 3.43Å; C62-C221 CovalentContact SG-SG 2.05Å; C62-C221 PolarHBondContact SG-SG 2.79Å; L215-C221 HydrophobicContact CD2-CB 4.15Å; L215-C221 WeakPolarHBondContact CD2-O 3.4Å; I218-C221 HydrophobicContact CB-CB 3.97Å; I218-C221 HydrophobicContact CG2-CB 3.77Å; I218-C221 PolarHBondContact O-N 3.33Å; A219-C221 PolarHBondContact O-N 3.15Å |
| 222 | Q | 95.3 | Very high | 95.5 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154.1 | 167.3 | -69.4 | 177.1 | -8 | 0 | 0 | 109.8 | G56 G58 F60 I61 C62 | G56-Q222 PolarHBondContact O-NE2 3.16Å; G58-Q222 VanDerWaalsContact N-NE2 3.16Å; F60-Q222 PolarHBondContact O-N 2.97Å; I61-Q222 CarbonylContact C-O 3.58Å; I61-Q222 WeakPolarHBondContact CA-O 3.44Å; C62-Q222 PolarHBondContact N-O 3.06Å |
| 223 | K | 96.1 | Very high | 95.6 | Very high | 127 Ų | 127 | 49.7 Ų | 49.7 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127 | 174.7 | -177.2 | 171.6 | -177.4 | 173 | 0 | 109.6 | C62 L215 | C62-K223 WeakPolarHBondContact O-CA 3.47Å; L215-K223 HydrophobicContact CD1-CB 4.21Å; L215-K223 HydrophobicContact CD2-CB 4.42Å |
| 224 | G | 96.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 161.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I61 C62 | I61-G224 VanDerWaalsContact CG2-CA 3.45Å; C62-G224 PolarHBondContact O-N 3.37Å |
| 225 | D | 95.8 | Very high | 95.8 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 135.9 | 169.1 | -172.8 | -14.9 | 0 | 0 | 0 | 110.1 | Y63 A227 D228 Y229 | Y63-D225 WeakPolarHBondContact CD1-O 3.5Å; Y63-D225 WeakPolarHBondContact CE1-O 3.39Å; D225-A227 PolarHBondContact O-N 2.97Å; D225-A227 VanDerWaalsContact O-N 3.16Å; D225-A227 PolarHBondContact OD1-N 3.24Å; D225-D228 PolarHBondContact O-N 2.97Å; D225-Y229 PolarHBondContact O-N 3.27Å |
| 226 | T | 95.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.4 | -31.6 | 172.2 | -44 | 0 | 0 | 0 | 0 | 111.3 | Q64 D228 Y229 H230 | Q64-T226 PolarHBondContact O-OG1 3.39Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 3.32Å; T226-Y229 WeakPolarHBondContact O-CB 3.28Å; T226-Y229 PolarHBondContact O-N 3.38Å; T226-H230 PolarHBondContact O-CD2 3.32Å; T226-H230 PolarHBondContact O-N 3.31Å |
| 227 | A | 95.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D225 H230 K231 | D225-A227 PolarHBondContact O-N 2.97Å; D225-A227 VanDerWaalsContact O-N 3.16Å; D225-A227 PolarHBondContact OD1-N 3.24Å; A227-H230 PolarHBondContact O-N 2.8Å; A227-K231 WeakPolarHBondContact O-CG 3.26Å; A227-K231 PolarHBondContact O-N 2.83Å; A227-K231 VanDerWaalsContact O-N 3.08Å |
| 228 | D | 96.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76 | -31.8 | 177.3 | -67.8 | -34.5 | 0 | 0 | 0 | 112 | Y63 D225 T226 H230 K231 H232 | Y63-D228 HydrophobicContact CE1-CB 4.02Å; D225-D228 PolarHBondContact O-N 2.97Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 3.32Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-K231 PolarHBondContact O-N 2.96Å; D228-K231 WeakPolarHBondContact OD1-CD 3.22Å; D228-K231 WeakPolarHBondContact OD1-CE 3.16Å; D228-K231 IonicContact OD1-NZ 2.97Å; D228-K231 PolarHBondContact OD1-NZ 3.31Å; D228-H232 PolarHBondContact O-N 2.66Å |
| 229 | Y | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 167.7 | 168.4 | -94.4 | 0 | 0 | 0 | 111.7 | Y63 L65 H67 A167 M202 R205 D225 T226 H232 R233 E240 | Y63-Y229 HydrophobicContact CD2-CD2 4.48Å; Y63-Y229 HydrophobicContact CG-CD2 4.45Å; L65-Y229 HydrophobicContact CD1-CE1 4.36Å; L65-Y229 HydrophobicContact CD1-CE2 4.35Å; L65-Y229 HydrophobicContact CD2-CD1 3.7Å; L65-Y229 HydrophobicContact CD2-CD2 3.97Å; L65-Y229 HydrophobicContact CD2-CE1 3.66Å; L65-Y229 HydrophobicContact CD2-CE2 3.92Å; L65-Y229 HydrophobicContact CD2-CG 3.85Å; H67-Y229 AromaticContact CE1-CE1 3.85Å; H67-Y229 AromaticContact NE2-CE1 3.93Å; A167-Y229 HydrophobicContact CB-CD2 3.75Å; A167-Y229 HydrophobicContact CB-CE2 3.42Å; A167-Y229 VanDerWaalsContact CB-CE2 3.42Å; M202-Y229 HydrophobicContact CE-CD2 4.44Å; M202-Y229 HydrophobicContact CE-CE2 3.44Å; M202-Y229 VanDerWaalsContact CE-CE2 3.44Å; M202-Y229 WeakPolarHBondContact CE-OH 3.47Å; R205-Y229 PolarHBondContact NH1-OH 3.47Å; R205-Y229 PolarHBondContact NH2-OH 2.86Å; D225-Y229 PolarHBondContact O-N 3.27Å; T226-Y229 WeakPolarHBondContact O-CB 3.28Å; T226-Y229 PolarHBondContact O-N 3.38Å; Y229-H232 PolarHBondContact O-N 2.93Å; Y229-R233 HydrophobicContact CE1-CG 4.11Å; Y229-R233 HydrophobicContact CE2-CG 4.46Å; Y229-R233 WeakPolarHBondContact O-CG 3.4Å; Y229-R233 PolarHBondContact O-N 3.08Å; Y229-E240 VanDerWaalsContact CE1-OE1 3.25Å; Y229-E240 WeakPolarHBondContact CE1-OE1 3.22Å; Y229-E240 PolarHBondContact OH-OE1 3.11Å; Y229-E240 PolarHBondContact OH-OE2 3.49Å |
| 230 | H | 97.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 174.2 | -68.2 | -68.7 | 0 | 0 | 0 | 112.4 | H67 T226 A227 D228 H232 R233 Y234 V322 | H67-H230 AromaticContact CE1-CE1 3.81Å; H67-H230 AromaticContact CE1-NE2 4Å; H67-H230 AromaticContact NE2-CE1 3.81Å; T226-H230 PolarHBondContact O-CD2 3.32Å; T226-H230 PolarHBondContact O-N 3.31Å; A227-H230 PolarHBondContact O-N 2.8Å; D228-H230 VanDerWaalsContact C-N 3.34Å; H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 PolarHBondContact O-N 3.26Å; H230-R233 PolarHBondContact ND1-NH2 2.92Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; H230-R233 PolarHBondContact O-N 3.03Å; H230-Y234 HydrophobicContact CB-CE2 4.34Å; H230-Y234 VanDerWaalsContact O-CD2 3.29Å; H230-Y234 WeakPolarHBondContact O-CD2 2.97Å; H230-Y234 VanDerWaalsContact O-CG 3.31Å; H230-Y234 PolarHBondContact O-N 3.42Å; H230-V322 HydrophobicContact CB-CG2 4.21Å |
| 231 | K | 97 | Very high | 96.9 | Very high | 81 Ų | 81 | 35 Ų | 35 | 35% | 0.352 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.4 | -42 | 173.8 | -68.3 | 170.4 | -158.2 | 162.6 | 0 | 111.8 | A227 D228 Y234 S235 V322 L325 | A227-K231 WeakPolarHBondContact O-CG 3.26Å; A227-K231 PolarHBondContact O-N 2.83Å; A227-K231 VanDerWaalsContact O-N 3.08Å; D228-K231 PolarHBondContact O-N 2.96Å; D228-K231 WeakPolarHBondContact OD1-CD 3.22Å; D228-K231 WeakPolarHBondContact OD1-CE 3.16Å; D228-K231 IonicContact OD1-NZ 2.97Å; D228-K231 PolarHBondContact OD1-NZ 3.31Å; K231-Y234 PolarHBondContact O-N 3.04Å; K231-S235 PolarHBondContact O-N 2.87Å; K231-V322 HydrophobicContact CG-CG1 3.94Å; K231-L325 HydrophobicContact CB-CD1 4.18Å; K231-L325 WeakPolarHBondContact O-CD1 3.34Å |
| 232 | H | 97.5 | Very high | 97.2 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 176.1 | -178.4 | 73.1 | 0 | 0 | 0 | 112.3 | L169 Q201 D228 Y229 H230 Y234 S235 I236 | L169-H232 HydrophobicContact CD1-CB 4.25Å; L169-H232 WeakPolarHBondContact CD1-CD2 3.49Å; Q201-H232 PolarHBondContact O-NE2 2.63Å; D228-H232 PolarHBondContact O-N 2.66Å; Y229-H232 PolarHBondContact O-N 2.93Å; H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 PolarHBondContact O-N 3.26Å; H232-Y234 VanDerWaalsContact C-N 3.27Å; H232-Y234 PolarHBondContact O-N 3.37Å; H232-S235 PolarHBondContact O-N 2.82Å; H232-S235 PolarHBondContact O-OG 2.96Å; H232-I236 WeakPolarHBondContact O-CG1 3.44Å; H232-I236 PolarHBondContact O-N 3.34Å; H232-I236 VanDerWaalsContact O-N 3.17Å |
| 233 | R | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.1 | -44.2 | 174.3 | -70.8 | -159 | -60.6 | 98.9 | -16.2 | 112 | M202 Y229 H230 I236 G237 L238 E240 D244 | M202-R233 HydrophobicContact CE-CG 3.75Å; M202-R233 HydrophobicContact SD-CG 3.98Å; Y229-R233 HydrophobicContact CE1-CG 4.11Å; Y229-R233 HydrophobicContact CE2-CG 4.46Å; Y229-R233 WeakPolarHBondContact O-CG 3.4Å; Y229-R233 PolarHBondContact O-N 3.08Å; H230-R233 PolarHBondContact ND1-NH2 2.92Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; H230-R233 PolarHBondContact O-N 3.03Å; R233-I236 WeakPolarHBondContact O-CG1 3.43Å; R233-G237 PolarHBondContact O-N 3.17Å; R233-G237 VanDerWaalsContact O-N 3.08Å; R233-L238 HydrophobicContact CG-CD2 4.27Å; R233-L238 PolarHBondContact NH1-O 3.14Å; R233-L238 PolarHBondContact O-N 2.93Å; R233-E240 IonicContact NE-OE1 3Å; R233-E240 PolarHBondContact NH2-O 3.27Å; R233-D244 IonicContact CZ-OD2 3.72Å; R233-D244 IonicContact NH1-OD2 3.94Å; R233-D244 PolarHBondContact NH1-OD2 2.91Å; R233-D244 IonicContact NH2-OD2 3.9Å; R233-D244 PolarHBondContact NH2-OD2 3.34Å |
| 234 | Y | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.4 | -36.3 | -179.7 | -63.4 | -30.7 | 0 | 0 | 0 | 113.4 | H230 K231 H232 I236 G237 D244 P291 S320 G321 V322 L327 | H230-Y234 HydrophobicContact CB-CE2 4.34Å; H230-Y234 VanDerWaalsContact O-CD2 3.29Å; H230-Y234 WeakPolarHBondContact O-CD2 2.97Å; H230-Y234 VanDerWaalsContact O-CG 3.31Å; H230-Y234 PolarHBondContact O-N 3.42Å; K231-Y234 PolarHBondContact O-N 3.04Å; H232-Y234 VanDerWaalsContact C-N 3.27Å; H232-Y234 PolarHBondContact O-N 3.37Å; Y234-I236 VanDerWaalsContact C-N 3.3Å; Y234-I236 PolarHBondContact O-N 2.99Å; Y234-G237 PolarHBondContact O-N 2.98Å; Y234-D244 WeakPolarHBondContact CE1-OD1 3.21Å; Y234-P291 VanDerWaalsContact O-CB 3.26Å; Y234-P291 WeakPolarHBondContact O-CB 3.4Å; Y234-S320 PolarHBondContact OH-OG 3.04Å; Y234-G321 VanDerWaalsContact CE2-CA 3.49Å; Y234-V322 HydrophobicContact CD2-CB 4.19Å; Y234-V322 HydrophobicContact CE2-CB 3.9Å; Y234-V322 HydrophobicContact CE2-CG2 3.9Å; Y234-L327 HydrophobicContact CD1-CD1 4.1Å; Y234-L327 HydrophobicContact CD1-CD2 4.45Å; Y234-L327 HydrophobicContact CD1-CG 3.74Å; Y234-L327 HydrophobicContact CE1-CD1 4.14Å; Y234-L327 HydrophobicContact CE1-CG 4.07Å |
| 235 | S | 96.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 30 Ų | 30 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 175.8 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | K231 H232 | K231-S235 PolarHBondContact O-N 2.87Å; H232-S235 PolarHBondContact O-N 2.82Å; H232-S235 PolarHBondContact O-OG 2.96Å |
| 236 | I | 96.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 3.1 | 175.8 | 75.1 | 167.9 | 0 | 0 | 0 | 114 | Q201 M202 H232 R233 Y234 L238 P356 W358 | Q201-I236 HydrophobicContact CB-CD1 3.78Å; Q201-I236 HydrophobicContact CB-CG2 4.3Å; M202-I236 HydrophobicContact CG-CD1 3.85Å; M202-I236 HydrophobicContact SD-CD1 3.69Å; H232-I236 WeakPolarHBondContact O-CG1 3.44Å; H232-I236 PolarHBondContact O-N 3.34Å; H232-I236 VanDerWaalsContact O-N 3.17Å; R233-I236 WeakPolarHBondContact O-CG1 3.43Å; Y234-I236 VanDerWaalsContact C-N 3.3Å; Y234-I236 PolarHBondContact O-N 2.99Å; I236-L238 HydrophobicContact CD1-CB 4.02Å; I236-L238 HydrophobicContact CD1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CB 3.85Å; I236-L238 PolarHBondContact O-N 3.28Å; I236-P356 WeakPolarHBondContact O-CB 3.21Å; I236-P356 WeakPolarHBondContact O-CG 3.11Å; I236-W358 PolarHBondContact O-NE1 3.38Å |
| 237 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 28.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | R233 Y234 | R233-G237 PolarHBondContact O-N 3.17Å; R233-G237 VanDerWaalsContact O-N 3.08Å; Y234-G237 PolarHBondContact O-N 2.98Å |
| 238 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -103.3 | 114.9 | -174.5 | -174.3 | 140.3 | 0 | 0 | 0 | 112.4 | R198 A199 M202 R233 I236 M260 | R198-L238 HydrophobicContact CB-CD1 3.8Å; A199-L238 HydrophobicContact CB-CD1 3.97Å; M202-L238 HydrophobicContact CE-CD2 4.24Å; M202-L238 HydrophobicContact CG-CD1 3.55Å; M202-L238 HydrophobicContact CG-CD2 4.15Å; M202-L238 HydrophobicContact CG-CG 4.4Å; M202-L238 HydrophobicContact SD-CD1 4.35Å; M202-L238 HydrophobicContact SD-CD2 4.08Å; R233-L238 HydrophobicContact CG-CD2 4.27Å; R233-L238 PolarHBondContact NH1-O 3.14Å; R233-L238 PolarHBondContact O-N 2.93Å; I236-L238 HydrophobicContact CD1-CB 4.02Å; I236-L238 HydrophobicContact CD1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CB 3.85Å; I236-L238 PolarHBondContact O-N 3.28Å; L238-M260 HydrophobicContact CD1-SD 4.33Å; L238-M260 HydrophobicContact CG-SD 4.17Å | ||
| 239 | P | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -76.6 | 145.8 | 176.8 | 30.4 | -34.3 | 0 | 0 | 0 | 113.2 | D244 L245 M260 L289 L327 | P239-D244 WeakPolarHBondContact CA-OD2 3.36Å; P239-D244 HydrophobicContact CB-CB 3.71Å; P239-L245 HydrophobicContact CB-CD1 4.13Å; P239-L245 HydrophobicContact CB-CD2 3.92Å; P239-L245 HydrophobicContact CB-CG 3.94Å; P239-L245 HydrophobicContact CG-CD1 4.46Å; P239-L245 HydrophobicContact CG-CD2 4.23Å; P239-M260 HydrophobicContact CG-CE 3.76Å; P239-M260 HydrophobicContact CG-SD 4.25Å; P239-L289 HydrophobicContact CB-CD2 3.66Å; P239-L289 HydrophobicContact CG-CD2 4.01Å; P239-L327 HydrophobicContact CB-CD1 3.89Å | ||
| 240 | E | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.023 | 16% | 0.162 | C | C | . | . | trans | -156.5 | 131.6 | 171.7 | -180 | 177.5 | 95.9 | 0 | 0 | 110.9 | H67 R198 R205 Y229 R233 D244 | H67-E240 IonicContact CD2-OE1 3.99Å; H67-E240 IonicContact CE1-OE1 2.67Å; H67-E240 IonicContact NE2-OE1 3.87Å; H67-E240 PolarHBondContact NE2-OE1 2.99Å; R198-E240 IonicContact CZ-OE2 3.68Å; R198-E240 VanDerWaalsContact CZ-OE2 3.28Å; R198-E240 IonicContact NH1-OE2 2.86Å; R198-E240 PolarHBondContact NH1-OE2 2.85Å; R198-E240 IonicContact NH2-OE2 2.7Å; R198-E240 PolarHBondContact NH2-OE2 2.87Å; R205-E240 IonicContact CZ-OE2 2.72Å; R205-E240 IonicContact NH1-OE2 3.75Å; R205-E240 IonicContact NH2-OE1 2.82Å; R205-E240 IonicContact NH2-OE2 3.67Å; R205-E240 PolarHBondContact NH2-OE2 2.78Å; Y229-E240 VanDerWaalsContact CE1-OE1 3.25Å; Y229-E240 WeakPolarHBondContact CE1-OE1 3.22Å; Y229-E240 PolarHBondContact OH-OE1 3.11Å; Y229-E240 PolarHBondContact OH-OE2 3.49Å; R233-E240 IonicContact NE-OE1 3Å; R233-E240 PolarHBondContact NH2-O 3.27Å; E240-D244 PolarHBondContact N-OD2 2.9Å | ||
| 241 | G | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 82.5 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D115 D135 D243 D244 L245 | D115-G241 WeakPolarHBondContact OD1-CA 3.18Å; D115-G241 PolarHBondContact OD1-N 3.48Å; D115-G241 PolarHBondContact OD2-N 2.65Å; D115-G241 VanDerWaalsContact OD2-N 3.08Å; D135-G241 WeakPolarHBondContact OD2-CA 3.43Å; G241-D243 PolarHBondContact O-N 3.43Å; G241-D244 PolarHBondContact O-N 3.29Å; G241-L245 PolarHBondContact O-N 3.44Å |
| 242 | V | 98.1 | Very high | 97.9 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.2 | -166 | -66.2 | 0 | 0 | 0 | 0 | 114.4 | D135 V138 L245 P246 P247 | D135-V242 HydrophobicContact CB-CG1 4.36Å; D135-V242 PolarHBondContact OD2-N 3.24Å; V138-V242 HydrophobicContact CG1-CG1 3.53Å; V138-V242 HydrophobicContact CG2-CG1 4.36Å; V242-L245 CarbonylContact O-C 3.23Å; V242-L245 VanDerWaalsContact O-C 3.26Å; V242-L245 PolarHBondContact O-N 3.05Å; V242-P246 WeakPolarHBondContact O-CA 3.22Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 WeakPolarHBondContact O-CG 3.29Å; V242-P247 HydrophobicContact CG1-CG 4.04Å |
| 243 | D | 96.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 23.6 Ų | 23.6 | 58% | 0.578 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -35.3 | -178.9 | -58.3 | -31 | 0 | 0 | 0 | 111.5 | G241 R319 | G241-D243 PolarHBondContact O-N 3.43Å; D243-R319 WeakPolarHBondContact O-CD 3.47Å; D243-R319 VanDerWaalsContact O-CG 3.3Å; D243-R319 WeakPolarHBondContact O-CG 3.18Å |
| 244 | D | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -33.5 | 175.8 | -72.4 | -25.2 | 0 | 0 | 0 | 112.1 | R233 Y234 P239 E240 G241 R319 L327 | R233-D244 IonicContact CZ-OD2 3.72Å; R233-D244 IonicContact NH1-OD2 3.94Å; R233-D244 PolarHBondContact NH1-OD2 2.91Å; R233-D244 IonicContact NH2-OD2 3.9Å; R233-D244 PolarHBondContact NH2-OD2 3.34Å; Y234-D244 WeakPolarHBondContact CE1-OD1 3.21Å; P239-D244 WeakPolarHBondContact CA-OD2 3.36Å; P239-D244 HydrophobicContact CB-CB 3.71Å; E240-D244 PolarHBondContact N-OD2 2.9Å; G241-D244 PolarHBondContact O-N 3.29Å; D244-R319 WeakPolarHBondContact O-CD 3.12Å; D244-R319 WeakPolarHBondContact O-CG 3.48Å; D244-L327 HydrophobicContact CB-CD1 4.26Å |
| 245 | L | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -128.9 | 63.8 | -173.5 | -58.1 | 172.9 | 0 | 0 | 0 | 112.8 | T112 D115 P239 G241 V242 A250 S255 L289 | T112-L245 HydrophobicContact CG2-CB 4.38Å; D115-L245 HydrophobicContact CB-CD1 3.63Å; P239-L245 HydrophobicContact CB-CD1 4.13Å; P239-L245 HydrophobicContact CB-CD2 3.92Å; P239-L245 HydrophobicContact CB-CG 3.94Å; P239-L245 HydrophobicContact CG-CD1 4.46Å; P239-L245 HydrophobicContact CG-CD2 4.23Å; G241-L245 PolarHBondContact O-N 3.44Å; V242-L245 CarbonylContact O-C 3.23Å; V242-L245 VanDerWaalsContact O-C 3.26Å; V242-L245 PolarHBondContact O-N 3.05Å; L245-A250 HydrophobicContact CB-CB 4.34Å; L245-A250 HydrophobicContact CD2-CB 4.33Å; L245-S255 WeakPolarHBondContact CD2-OG 3.29Å; L245-L289 HydrophobicContact CD2-CD2 4.5Å |
| 246 | P | 97.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | trans | -55.5 | 123.9 | -171.7 | -30.7 | 37.5 | 0 | 0 | 0 | 113.5 | V242 G248 V249 A250 | V242-P246 WeakPolarHBondContact O-CA 3.22Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 WeakPolarHBondContact O-CG 3.29Å; P246-G248 PolarHBondContact O-N 2.96Å; P246-V249 HydrophobicContact CB-CB 4.2Å; P246-V249 HydrophobicContact CB-CG2 4.44Å; P246-V249 PolarHBondContact O-N 2.92Å; P246-A250 PolarHBondContact O-N 2.82Å; P246-A250 VanDerWaalsContact O-N 3.1Å | ||
| 247 | P | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 21.2 Ų | 21.2 | 37% | 0.37 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 125.6 | -172.7 | -29 | 34.4 | 0 | 0 | 0 | 113.5 | L113 V242 V249 | L113-P247 HydrophobicContact CD2-CB 4.47Å; L113-P247 WeakPolarHBondContact O-CB 3.48Å; L113-P247 WeakPolarHBondContact O-CG 3.49Å; V242-P247 HydrophobicContact CG1-CG 4.04Å; P247-V249 PolarHBondContact O-N 3.41Å |
| 248 | G | 97.7 | Very high | 97.9 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 27% | 0.268 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -9.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R111 T112 P246 | R111-G248 VanDerWaalsContact CB-O 3.3Å; R111-G248 WeakPolarHBondContact CB-O 3.25Å; R111-G248 WeakPolarHBondContact CG-O 3.31Å; T112-G248 PolarHBondContact O-N 2.97Å; P246-G248 PolarHBondContact O-N 2.96Å |
| 249 | V | 97.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 25.7 Ų | 25.7 | 56% | 0.564 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -45.4 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | P246 P247 | P246-V249 HydrophobicContact CB-CB 4.2Å; P246-V249 HydrophobicContact CB-CG2 4.44Å; P246-V249 PolarHBondContact O-N 2.92Å; P247-V249 PolarHBondContact O-N 3.41Å |
| 250 | A | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | trans | -67.5 | 135.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R111 T112 L245 P246 | R111-A250 CarbonylContact C-O 3.57Å; R111-A250 WeakPolarHBondContact CA-O 3.26Å; R111-A250 WeakPolarHBondContact CB-O 3.48Å; T112-A250 PolarHBondContact N-O 2.78Å; T112-A250 PolarHBondContact OG1-O 3.3Å; L245-A250 HydrophobicContact CB-CB 4.34Å; L245-A250 HydrophobicContact CD2-CB 4.33Å; P246-A250 PolarHBondContact O-N 2.82Å; P246-A250 VanDerWaalsContact O-N 3.1Å | ||
| 251 | L | 98 | Very high | 97.7 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 29% | 0.288 | 18% | 0.181 | S | C | . | . | trans | -98 | 124.4 | 176.9 | -77.1 | 168.6 | 0 | 0 | 0 | 109.9 | R111 L253 E254 S255 L275 | R111-L251 HydrophobicContact CG-CD2 4.03Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.45Å; L251-L253 VanDerWaalsContact O-N 3.16Å; L251-E254 HydrophobicContact CB-CB 4.14Å; L251-E254 HydrophobicContact CB-CG 3.91Å; L251-E254 HydrophobicContact CD1-CG 4.27Å; L251-E254 PolarHBondContact O-N 3.4Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; L251-L275 HydrophobicContact CD2-CD2 4.07Å | ||
| 252 | P | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.8 | -169.2 | 19.7 | -32.3 | 0 | 0 | 0 | 114 | L106 G110 S255 N256 L257 T276 | L106-P252 HydrophobicContact CD1-CG 4.21Å; L106-P252 HydrophobicContact CD2-CB 4.26Å; L106-P252 HydrophobicContact CD2-CG 4.03Å; G110-P252 VanDerWaalsContact O-CD 3.29Å; G110-P252 WeakPolarHBondContact O-CD 3.21Å; P252-S255 CarbonylContact O-C 3.57Å; P252-S255 PolarHBondContact O-N 2.82Å; P252-N256 PolarHBondContact O-N 3.09Å; P252-L257 HydrophobicContact CB-CB 4.18Å; P252-L257 HydrophobicContact CB-CD2 3.57Å; P252-L257 WeakPolarHBondContact O-CB 3.36Å; P252-L257 PolarHBondContact O-N 3.32Å; P252-T276 HydrophobicContact CG-CG2 4.14Å |
| 253 | L | 97.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -29 | -179.8 | -54.6 | -174 | 0 | 0 | 0 | 113.5 | L251 N256 V258 F265 T276 T279 H280 I285 R288 | L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.45Å; L251-L253 VanDerWaalsContact O-N 3.16Å; L253-N256 PolarHBondContact O-N 2.93Å; L253-V258 HydrophobicContact CD2-CG2 3.58Å; L253-F265 HydrophobicContact CD2-CZ 4.23Å; L253-T276 HydrophobicContact CD1-CG2 4.31Å; L253-T276 HydrophobicContact CD2-CG2 3.88Å; L253-T276 HydrophobicContact CG-CG2 4.02Å; L253-T279 HydrophobicContact CD1-CG2 3.84Å; L253-H280 HydrophobicContact CD1-CB 4.13Å; L253-I285 HydrophobicContact CB-CD1 3.66Å; L253-I285 HydrophobicContact CB-CG1 4.27Å; L253-I285 HydrophobicContact CD1-CD1 3.91Å; L253-I285 HydrophobicContact CG-CD1 4.46Å; L253-R288 PolarHBondContact O-NH1 3.41Å |
| 254 | E | 97.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -33.1 | 171.9 | -56.8 | -164.9 | 164 | 0 | 0 | 110.6 | L251 N256 I285 K287 R288 L289 L329 | L251-E254 HydrophobicContact CB-CB 4.14Å; L251-E254 HydrophobicContact CB-CG 3.91Å; L251-E254 HydrophobicContact CD1-CG 4.27Å; L251-E254 PolarHBondContact O-N 3.4Å; E254-N256 PolarHBondContact O-N 2.63Å; E254-I285 HydrophobicContact CG-CG2 4.44Å; E254-K287 WeakPolarHBondContact CA-O 3.43Å; E254-K287 WeakPolarHBondContact CB-O 3.4Å; E254-K287 WeakPolarHBondContact CG-O 3.44Å; E254-K287 VanDerWaalsContact OE1-CE 3.28Å; E254-K287 WeakPolarHBondContact OE1-CE 3.33Å; E254-K287 IonicContact OE1-NZ 2.68Å; E254-K287 PolarHBondContact OE1-NZ 3.36Å; E254-K287 IonicContact OE2-NZ 2.64Å; E254-K287 PolarHBondContact OE2-NZ 3.29Å; E254-R288 CarbonylContact O-C 3.57Å; E254-R288 WeakPolarHBondContact O-CA 3.11Å; E254-L289 PolarHBondContact O-N 3.07Å; E254-L329 HydrophobicContact CB-CD1 4.02Å |
| 255 | S | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 12.2 | 169.9 | -61.7 | 0 | 0 | 0 | 0 | 114.4 | L245 L251 P252 L257 M260 | L245-S255 WeakPolarHBondContact CD2-OG 3.29Å; L251-S255 PolarHBondContact O-N 2.87Å; L251-S255 PolarHBondContact O-OG 2.89Å; P252-S255 CarbonylContact O-C 3.57Å; P252-S255 PolarHBondContact O-N 2.82Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.62Å; S255-M260 WeakPolarHBondContact O-CE 3.24Å |
| 256 | N | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 25.8 | 177 | -44.7 | -52.2 | 0 | 0 | 0 | 115.9 | P252 L253 E254 V258 Y259 M260 R288 L289 W359 | P252-N256 PolarHBondContact O-N 3.09Å; L253-N256 PolarHBondContact O-N 2.93Å; E254-N256 PolarHBondContact O-N 2.63Å; N256-V258 PolarHBondContact O-N 3.01Å; N256-Y259 HydrophobicContact CB-CD2 3.97Å; N256-Y259 HydrophobicContact CB-CG 4.44Å; N256-Y259 PolarHBondContact O-N 3.43Å; N256-M260 PolarHBondContact O-N 3.44Å; N256-R288 WeakPolarHBondContact OD1-CD 3.36Å; N256-R288 PolarHBondContact OD1-NH1 2.97Å; N256-L289 PolarHBondContact ND2-O 3.33Å; N256-W359 WeakPolarHBondContact ND2-CZ2 3.4Å |
| 257 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.8 | -177.4 | -175 | 61.1 | 0 | 0 | 0 | 114 | T87 Y102 H104 P252 S255 Q261 G262 I263 | T87-L257 HydrophobicContact CG2-CD2 4.07Å; Y102-L257 HydrophobicContact CD1-CD1 3.82Å; Y102-L257 HydrophobicContact CE1-CD1 3.55Å; H104-L257 HydrophobicContact CB-CD2 4.09Å; P252-L257 HydrophobicContact CB-CB 4.18Å; P252-L257 HydrophobicContact CB-CD2 3.57Å; P252-L257 WeakPolarHBondContact O-CB 3.36Å; P252-L257 PolarHBondContact O-N 3.32Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.62Å; L257-Q261 PolarHBondContact O-N 2.86Å; L257-G262 PolarHBondContact O-N 3.08Å; L257-I263 HydrophobicContact CD2-CB 3.97Å; L257-I263 HydrophobicContact CD2-CG2 4.36Å; L257-I263 HydrophobicContact CG-CB 4.07Å; L257-I263 HydrophobicContact CG-CG2 4.06Å |
| 258 | V | 96.5 | Very high | 97 | Very high | 55 Ų | 55 | 34.4 Ų | 34.4 | 33% | 0.333 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -40.8 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | L253 N256 M260 Q261 I263 F265 | L253-V258 HydrophobicContact CD2-CG2 3.58Å; N256-V258 PolarHBondContact O-N 3.01Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-Q261 PolarHBondContact O-N 2.86Å; V258-I263 HydrophobicContact CB-CG2 4.39Å; V258-I263 HydrophobicContact CG2-CG2 3.75Å; V258-F265 HydrophobicContact CG2-CE2 3.92Å; V258-F265 HydrophobicContact CG2-CZ 3.89Å |
| 259 | Y | 96.7 | Very high | 97 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29.9 | -178.6 | -57.6 | -18.9 | 0 | 0 | 0 | 111.4 | N256 Q261 R288 W359 P360 V363 | N256-Y259 HydrophobicContact CB-CD2 3.97Å; N256-Y259 HydrophobicContact CB-CG 4.44Å; N256-Y259 PolarHBondContact O-N 3.43Å; Y259-Q261 PolarHBondContact O-N 3.28Å; Y259-R288 VanDerWaalsContact OH-CZ 3.28Å; Y259-R288 PolarHBondContact OH-NE 3.49Å; Y259-R288 PolarHBondContact OH-NH2 3.21Å; Y259-W359 HydrophobicContact CD2-CB 4.37Å; Y259-W359 AromaticContact CD2-CD1 3.87Å; Y259-W359 AromaticContact CD2-CD2 3.66Å; Y259-W359 HydrophobicContact CD2-CD2 3.66Å; Y259-W359 AromaticContact CD2-CE2 3.82Å; Y259-W359 HydrophobicContact CD2-CE3 4.2Å; Y259-W359 AromaticContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CZ2 4.49Å; Y259-W359 AromaticContact CD2-NE1 3.92Å; Y259-W359 AromaticContact CE2-CD2 3.71Å; Y259-W359 HydrophobicContact CE2-CD2 3.71Å; Y259-W359 AromaticContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CG 4.09Å; Y259-W359 HydrophobicContact CE2-CZ3 4.21Å; Y259-P360 HydrophobicContact CD1-CG 3.76Å; Y259-P360 HydrophobicContact CE1-CG 3.89Å; Y259-P360 HydrophobicContact CG-CG 4.41Å; Y259-V363 HydrophobicContact CE1-CG2 4.24Å; Y259-V363 HydrophobicContact CE2-CG2 4.27Å; Y259-V363 WeakPolarHBondContact OH-CG2 3.46Å |
| 260 | M | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 18.5 | 172.3 | -62 | -178.6 | -73.8 | 0 | 0 | 113.4 | Y102 R198 L238 P239 S255 N256 V258 G262 W358 | Y102-M260 HydrophobicContact CD1-CB 3.82Å; Y102-M260 HydrophobicContact CE1-CB 3.95Å; Y102-M260 HydrophobicContact CE1-CE 3.82Å; Y102-M260 HydrophobicContact CE1-SD 4.04Å; R198-M260 HydrophobicContact CB-CB 4.03Å; R198-M260 HydrophobicContact CB-CG 4.13Å; R198-M260 HydrophobicContact CB-SD 4.3Å; R198-M260 HydrophobicContact CG-CB 4.24Å; R198-M260 HydrophobicContact CG-SD 4.43Å; L238-M260 HydrophobicContact CD1-SD 4.33Å; L238-M260 HydrophobicContact CG-SD 4.17Å; P239-M260 HydrophobicContact CG-CE 3.76Å; P239-M260 HydrophobicContact CG-SD 4.25Å; S255-M260 WeakPolarHBondContact O-CE 3.24Å; N256-M260 PolarHBondContact O-N 3.44Å; V258-M260 VanDerWaalsContact C-N 3.33Å; M260-G262 PolarHBondContact O-N 3.27Å; M260-W358 HydrophobicContact CG-CH2 3.56Å; M260-W358 HydrophobicContact CG-CZ3 3.77Å; M260-W358 HydrophobicContact SD-CH2 4.36Å |
| 261 | Q | 96 | Very high | 97 | Very high | 142 Ų | 142 | 35.5 Ų | 35.5 | 66% | 0.664 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 21.1 | 176.4 | -57.6 | 177.7 | 70.7 | 0 | 0 | 115 | N88 L257 V258 Y259 I263 | N88-Q261 PolarHBondContact ND2-O 2.81Å; L257-Q261 PolarHBondContact O-N 2.86Å; V258-Q261 PolarHBondContact O-N 2.86Å; Y259-Q261 PolarHBondContact O-N 3.28Å; Q261-I263 PolarHBondContact O-N 2.94Å |
| 262 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -92.6 | 16.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T87 Y102 L257 M260 | T87-G262 PolarHBondContact OG1-O 2.98Å; Y102-G262 WeakPolarHBondContact O-CA 3.49Å; L257-G262 PolarHBondContact O-N 3.08Å; M260-G262 PolarHBondContact O-N 3.27Å | ||
| 263 | I | 98 | Very high | 96.8 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | trans | -150.3 | 134.2 | -179.1 | -177.7 | 167.6 | 0 | 0 | 0 | 111.1 | T87 L257 V258 Q261 F265 Y270 T276 | T87-I263 WeakPolarHBondContact O-CA 3.24Å; L257-I263 HydrophobicContact CD2-CB 3.97Å; L257-I263 HydrophobicContact CD2-CG2 4.36Å; L257-I263 HydrophobicContact CG-CB 4.07Å; L257-I263 HydrophobicContact CG-CG2 4.06Å; V258-I263 HydrophobicContact CB-CG2 4.39Å; V258-I263 HydrophobicContact CG2-CG2 3.75Å; Q261-I263 PolarHBondContact O-N 2.94Å; I263-F265 HydrophobicContact CD1-CE1 3.8Å; I263-F265 HydrophobicContact CD1-CZ 3.9Å; I263-F265 HydrophobicContact CG1-CE1 4.29Å; I263-F265 HydrophobicContact CG1-CZ 4.25Å; I263-F265 HydrophobicContact CG2-CE2 4.1Å; I263-F265 HydrophobicContact CG2-CZ 4.1Å; I263-Y270 WeakPolarHBondContact CD1-OH 3.34Å; I263-T276 HydrophobicContact CD1-CG2 3.37Å | ||
| 264 | S | 97.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | trans | -104.7 | 131.4 | 170.3 | 172 | 0 | 0 | 0 | 0 | 110.2 | T87 S266 K267 | T87-S264 PolarHBondContact O-N 3.16Å; T87-S264 VanDerWaalsContact O-N 3.09Å; S264-S266 PolarHBondContact OG-N 2.77Å; S264-S266 PolarHBondContact OG-OG 2.77Å; S264-K267 WeakPolarHBondContact O-CG 3.37Å; S264-K267 PolarHBondContact OG-N 3.26Å | ||
| 265 | F | 95.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -94.4 | -3.4 | 171.1 | -61 | -73.6 | 0 | 0 | 0 | 112.7 | L253 V258 I263 H280 | L253-F265 HydrophobicContact CD2-CZ 4.23Å; V258-F265 HydrophobicContact CG2-CE2 3.92Å; V258-F265 HydrophobicContact CG2-CZ 3.89Å; I263-F265 HydrophobicContact CD1-CE1 3.8Å; I263-F265 HydrophobicContact CD1-CZ 3.9Å; I263-F265 HydrophobicContact CG1-CE1 4.29Å; I263-F265 HydrophobicContact CG1-CZ 4.25Å; I263-F265 HydrophobicContact CG2-CE2 4.1Å; I263-F265 HydrophobicContact CG2-CZ 4.1Å; F265-H280 HydrophobicContact CD1-CB 4.38Å; F265-H280 AromaticContact CD1-ND1 3.92Å; F265-H280 AromaticContact CD2-CE1 3.89Å; F265-H280 AromaticContact CD2-NE2 3.95Å; F265-H280 HydrophobicContact CE1-CB 3.64Å; F265-H280 AromaticContact CE1-CG 3.58Å; F265-H280 AromaticContact CE1-ND1 3.9Å; F265-H280 AromaticContact CE2-CD2 3.61Å; F265-H280 AromaticContact CE2-CE1 3.97Å; F265-H280 AromaticContact CE2-CG 3.98Å; F265-H280 AromaticContact CE2-NE2 3.62Å; F265-H280 HydrophobicContact CZ-CB 3.87Å; F265-H280 AromaticContact CZ-CD2 3.45Å; F265-H280 VanDerWaalsContact CZ-CD2 3.45Å; F265-H280 WeakPolarHBondContact CZ-CD2 3.4Å; F265-H280 AromaticContact CZ-CG 3.52Å; F265-H280 AromaticContact CZ-NE2 3.95Å |
| 266 | S | 94.3 | Very high | 96.1 | Very high | 100 Ų | 100 | 41.3 Ų | 41.3 | 70% | 0.699 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -108 | 0.9 | -179.7 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | S264 | S264-S266 PolarHBondContact OG-N 2.77Å; S264-S266 PolarHBondContact OG-OG 2.77Å |
| 267 | K | 95.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -83.3 | 166.9 | 174.1 | 68.9 | 169.7 | -68.1 | -177.8 | 0 | 112.8 | Q83 I86 T87 N88 D89 S264 Y270 | Q83-K267 VanDerWaalsContact O-CE 3.31Å; Q83-K267 WeakPolarHBondContact O-CE 3.33Å; Q83-K267 PolarHBondContact O-NZ 3.05Å; I86-K267 PolarHBondContact O-NZ 2.77Å; T87-K267 WeakPolarHBondContact O-CD 3.17Å; N88-K267 WeakPolarHBondContact O-CD 3.49Å; N88-K267 WeakPolarHBondContact O-CE 3.32Å; N88-K267 PolarHBondContact O-NZ 2.78Å; D89-K267 HydrophobicContact CB-CB 4.21Å; D89-K267 WeakPolarHBondContact OD2-CB 3.29Å; S264-K267 WeakPolarHBondContact O-CG 3.37Å; S264-K267 PolarHBondContact OG-N 3.26Å; K267-Y270 HydrophobicContact CD-CD1 3.94Å; K267-Y270 HydrophobicContact CD-CE1 4.39Å; K267-Y270 HydrophobicContact CG-CD1 4.33Å |
| 268 | G | 94.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | trans | -69.2 | 177 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 269 | C | 96.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 50.2 Ų | 50.2 | 73% | 0.73 | 27% | 0.271 | S | S | * | . | trans | -59.2 | 140.2 | -172.3 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 270 | Y | 97.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | trans | -141.3 | 163.5 | 174.1 | 68.6 | -91.8 | 0 | 0 | 0 | 111 | G84 I86 T87 L106 I263 K267 G272 Q273 | G84-Y270 VanDerWaalsContact O-CA 3.3Å; G84-Y270 WeakPolarHBondContact O-CA 3.26Å; I86-Y270 WeakPolarHBondContact O-CB 3.45Å; T87-Y270 HydrophobicContact CG2-CD2 4.35Å; T87-Y270 HydrophobicContact CG2-CE2 3.75Å; L106-Y270 HydrophobicContact CD1-CE2 3.97Å; I263-Y270 WeakPolarHBondContact CD1-OH 3.34Å; K267-Y270 HydrophobicContact CD-CD1 3.94Å; K267-Y270 HydrophobicContact CD-CE1 4.39Å; K267-Y270 HydrophobicContact CG-CD1 4.33Å; Y270-G272 PolarHBondContact O-N 2.9Å; Y270-Q273 HydrophobicContact CD1-CB 4.03Å; Y270-Q273 HydrophobicContact CD1-CG 4.1Å; Y270-Q273 HydrophobicContact CD2-CB 4.25Å; Y270-Q273 HydrophobicContact CE1-CB 3.75Å; Y270-Q273 HydrophobicContact CE1-CG 3.56Å; Y270-Q273 HydrophobicContact CE2-CB 3.94Å; Y270-Q273 HydrophobicContact CG-CB 4.26Å; Y270-Q273 WeakPolarHBondContact O-CB 3.33Å; Y270-Q273 PolarHBondContact O-N 2.82Å | ||
| 271 | I | 97.4 | Very high | 94.5 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 125.6 | -176.7 | -60.6 | 161.7 | 0 | 0 | 0 | 111.4 | G84 I85 L106 V108 Y149 Q273 | G84-I271 PolarHBondContact O-N 3.13Å; I85-I271 HydrophobicContact CB-CD1 4.46Å; I85-I271 HydrophobicContact CG1-CD1 4.28Å; I85-I271 HydrophobicContact CG2-CD1 4.37Å; L106-I271 WeakPolarHBondContact O-CG2 3.15Å; V108-I271 HydrophobicContact CG1-CG2 4.18Å; Y149-I271 HydrophobicContact CD1-CD1 4.22Å; Y149-I271 HydrophobicContact CD2-CD1 4.04Å; Y149-I271 HydrophobicContact CE1-CD1 3.73Å; Y149-I271 HydrophobicContact CE1-CG1 4.47Å; Y149-I271 HydrophobicContact CE2-CD1 3.54Å; Y149-I271 HydrophobicContact CG-CD1 4.37Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.82Å |
| 272 | G | 95.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 14.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N107 G110 Y270 E274 T276 | N107-G272 WeakPolarHBondContact O-CA 3.28Å; G110-G272 WeakPolarHBondContact CA-O 3.42Å; Y270-G272 PolarHBondContact O-N 2.9Å; G272-E274 VanDerWaalsContact C-N 3.31Å; G272-E274 PolarHBondContact O-N 2.94Å; G272-T276 PolarHBondContact O-OG1 3.15Å |
| 273 | Q | 96.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 179.2 | -177.8 | -179.9 | 31.5 | 0 | 0 | 112.9 | Y270 I271 L275 T276 A277 | Y270-Q273 HydrophobicContact CD1-CB 4.03Å; Y270-Q273 HydrophobicContact CD1-CG 4.1Å; Y270-Q273 HydrophobicContact CD2-CB 4.25Å; Y270-Q273 HydrophobicContact CE1-CB 3.75Å; Y270-Q273 HydrophobicContact CE1-CG 3.56Å; Y270-Q273 HydrophobicContact CE2-CB 3.94Å; Y270-Q273 HydrophobicContact CG-CB 4.26Å; Y270-Q273 WeakPolarHBondContact O-CB 3.33Å; Y270-Q273 PolarHBondContact O-N 2.82Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.82Å; Q273-L275 PolarHBondContact O-N 2.98Å; Q273-T276 PolarHBondContact O-N 3.01Å; Q273-A277 HydrophobicContact CG-CB 4.3Å; Q273-A277 WeakPolarHBondContact O-CB 3.35Å; Q273-A277 PolarHBondContact O-N 3.22Å |
| 274 | E | 93.7 | Very high | 91.9 | Very high | 129 Ų | 129 | 64.6 Ų | 64.6 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | -166.7 | -62.1 | 84.7 | 168.1 | 0 | 0 | 113.1 | G272 R278 | G272-E274 VanDerWaalsContact C-N 3.31Å; G272-E274 PolarHBondContact O-N 2.94Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.16Å; E274-R278 VanDerWaalsContact O-N 3.16Å |
| 275 | L | 92.4 | Very high | 91.7 | Very high | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 175.2 | 179.7 | 62.8 | 0 | 0 | 0 | 110.8 | Q109 L251 Q273 T279 | Q109-L275 WeakPolarHBondContact O-CD2 3.25Å; L251-L275 HydrophobicContact CD2-CD2 4.07Å; Q273-L275 PolarHBondContact O-N 2.98Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.67Å; L275-T279 PolarHBondContact O-OG1 3.4Å |
| 276 | T | 93.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.8 | -51.5 | -175.5 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | P252 L253 I263 G272 Q273 T279 H280 | P252-T276 HydrophobicContact CG-CG2 4.14Å; L253-T276 HydrophobicContact CD1-CG2 4.31Å; L253-T276 HydrophobicContact CD2-CG2 3.88Å; L253-T276 HydrophobicContact CG-CG2 4.02Å; I263-T276 HydrophobicContact CD1-CG2 3.37Å; G272-T276 PolarHBondContact O-OG1 3.15Å; Q273-T276 PolarHBondContact O-N 3.01Å; T276-T279 PolarHBondContact O-N 2.96Å; T276-H280 WeakPolarHBondContact O-CB 3.37Å; T276-H280 PolarHBondContact O-N 3.49Å |
| 277 | A | 92.4 | Very high | 91.7 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q273 T279 H280 H281 | Q273-A277 HydrophobicContact CG-CB 4.3Å; Q273-A277 WeakPolarHBondContact O-CB 3.35Å; Q273-A277 PolarHBondContact O-N 3.22Å; A277-T279 PolarHBondContact O-N 3.17Å; A277-H280 PolarHBondContact O-N 3.29Å; A277-H281 PolarHBondContact O-CD2 3.38Å; A277-H281 PolarHBondContact O-N 2.91Å |
| 278 | R | 91.5 | Very high | 91.8 | Very high | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.6 | -49.7 | 174.6 | -176.4 | -171.5 | -56.2 | -142.5 | -0.3 | 111.2 | E274 H280 H281 T282 | E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.16Å; E274-R278 VanDerWaalsContact O-N 3.16Å; R278-H280 VanDerWaalsContact C-N 3.31Å; R278-H280 PolarHBondContact O-N 3.37Å; R278-H281 PolarHBondContact O-N 2.8Å; R278-T282 HydrophobicContact CG-CG2 3.88Å; R278-T282 VanDerWaalsContact O-CB 3.29Å; R278-T282 WeakPolarHBondContact O-CB 3.38Å; R278-T282 VanDerWaalsContact O-CG2 3.25Å; R278-T282 WeakPolarHBondContact O-CG2 3.38Å; R278-T282 PolarHBondContact O-N 3.03Å; R278-T282 PolarHBondContact O-OG1 3.18Å |
| 279 | T | 90.9 | Very high | 92 | Very high | 49 Ų | 49 | 68 Ų | 68 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | -177.9 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | L253 L275 T276 A277 I285 | L253-T279 HydrophobicContact CD1-CG2 3.84Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.67Å; L275-T279 PolarHBondContact O-OG1 3.4Å; T276-T279 PolarHBondContact O-N 2.96Å; A277-T279 PolarHBondContact O-N 3.17Å; T279-I285 HydrophobicContact CG2-CD1 3.68Å |
| 280 | H | 88.9 | Confident | 92.1 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.8 | 178.3 | -104.6 | 0 | 0 | 0 | 113.3 | L253 F265 T276 A277 R278 | L253-H280 HydrophobicContact CD1-CB 4.13Å; F265-H280 HydrophobicContact CD1-CB 4.38Å; F265-H280 AromaticContact CD1-ND1 3.92Å; F265-H280 AromaticContact CD2-CE1 3.89Å; F265-H280 AromaticContact CD2-NE2 3.95Å; F265-H280 HydrophobicContact CE1-CB 3.64Å; F265-H280 AromaticContact CE1-CG 3.58Å; F265-H280 AromaticContact CE1-ND1 3.9Å; F265-H280 AromaticContact CE2-CD2 3.61Å; F265-H280 AromaticContact CE2-CE1 3.97Å; F265-H280 AromaticContact CE2-CG 3.98Å; F265-H280 AromaticContact CE2-NE2 3.62Å; F265-H280 HydrophobicContact CZ-CB 3.87Å; F265-H280 AromaticContact CZ-CD2 3.45Å; F265-H280 VanDerWaalsContact CZ-CD2 3.45Å; F265-H280 WeakPolarHBondContact CZ-CD2 3.4Å; F265-H280 AromaticContact CZ-CG 3.52Å; F265-H280 AromaticContact CZ-NE2 3.95Å; T276-H280 WeakPolarHBondContact O-CB 3.37Å; T276-H280 PolarHBondContact O-N 3.49Å; A277-H280 PolarHBondContact O-N 3.29Å; R278-H280 VanDerWaalsContact C-N 3.31Å; R278-H280 PolarHBondContact O-N 3.37Å |
| 281 | H | 88.1 | Confident | 92.1 | Very high | 142 Ų | 142 | 62.4 Ų | 62.4 | 66% | 0.657 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -80.8 | -26.1 | -177.5 | -66.5 | -59.5 | 0 | 0 | 0 | 114.5 | A277 R278 | A277-H281 PolarHBondContact O-CD2 3.38Å; A277-H281 PolarHBondContact O-N 2.91Å; R278-H281 PolarHBondContact O-N 2.8Å |
| 282 | T | 84.6 | Confident | 92.1 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 68% | 0.681 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -89.4 | -12.2 | -173.1 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | R278 | R278-T282 HydrophobicContact CG-CG2 3.88Å; R278-T282 VanDerWaalsContact O-CB 3.29Å; R278-T282 WeakPolarHBondContact O-CB 3.38Å; R278-T282 VanDerWaalsContact O-CG2 3.25Å; R278-T282 WeakPolarHBondContact O-CG2 3.38Å; R278-T282 PolarHBondContact O-N 3.03Å; R278-T282 PolarHBondContact O-OG1 3.18Å |
| 283 | G | 71.3 | Confident | 92.2 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | trans | 152.1 | -152.6 | 165 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 284 | V | 82.6 | Confident | 92.2 | Very high | 122 Ų | 122 | 65.7 Ų | 65.7 | 74% | 0.739 | 32% | 0.321 | S | S | * | . | trans | -75.4 | 127.6 | -166.2 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | R286 | V284-R286 WeakPolarHBondContact O-CG 3.39Å; V284-R286 PolarHBondContact O-N 2.91Å | ||
| 285 | I | 91.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 63 Ų | 63 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | trans | -67.3 | 101.7 | 169.4 | -56.7 | -56.4 | 0 | 0 | 0 | 109.4 | L253 E254 T279 K287 R288 | L253-I285 HydrophobicContact CB-CD1 3.66Å; L253-I285 HydrophobicContact CB-CG1 4.27Å; L253-I285 HydrophobicContact CD1-CD1 3.91Å; L253-I285 HydrophobicContact CG-CD1 4.46Å; E254-I285 HydrophobicContact CG-CG2 4.44Å; T279-I285 HydrophobicContact CG2-CD1 3.68Å; I285-K287 WeakPolarHBondContact CG2-O 3.32Å; I285-R288 HydrophobicContact CG2-CG 3.98Å | ||
| 286 | R | 93.9 | Very high | 92.2 | Very high | 200 Ų | 200 | 62.2 Ų | 62.2 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | trans | -81.4 | -16.1 | -174.9 | -61.2 | -174 | -176.4 | -179.6 | -0.6 | 114.6 | V284 R331 T332 | V284-R286 WeakPolarHBondContact O-CG 3.39Å; V284-R286 PolarHBondContact O-N 2.91Å; R286-R331 CarbonylContact O-C 3.26Å; R286-R331 VanDerWaalsContact O-CA 3.31Å; R286-R331 WeakPolarHBondContact O-CA 3.18Å; R286-T332 PolarHBondContact O-N 3.28Å; R286-T332 PolarHBondContact O-OG1 3.34Å | ||
| 287 | K | 96.5 | Very high | 91.9 | Very high | 64 Ų | 64 | 65 Ų | 65 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.5 | 175.7 | -74.1 | 179.7 | -66.3 | 111.9 | 0 | 109.3 | E254 I285 L329 I330 R331 | E254-K287 WeakPolarHBondContact CA-O 3.43Å; E254-K287 WeakPolarHBondContact CB-O 3.4Å; E254-K287 WeakPolarHBondContact CG-O 3.44Å; E254-K287 VanDerWaalsContact OE1-CE 3.28Å; E254-K287 WeakPolarHBondContact OE1-CE 3.33Å; E254-K287 IonicContact OE1-NZ 2.68Å; E254-K287 PolarHBondContact OE1-NZ 3.36Å; E254-K287 IonicContact OE2-NZ 2.64Å; E254-K287 PolarHBondContact OE2-NZ 3.29Å; I285-K287 WeakPolarHBondContact CG2-O 3.32Å; K287-L329 HydrophobicContact CB-CD1 3.93Å; K287-L329 HydrophobicContact CB-CG 4.27Å; K287-L329 HydrophobicContact CD-CD2 4.47Å; K287-L329 HydrophobicContact CD-CG 4.41Å; K287-I330 CarbonylContact C-O 3.53Å; K287-I330 WeakPolarHBondContact CA-O 3.43Å; K287-R331 HydrophobicContact CD-CG 4.33Å; K287-R331 HydrophobicContact CG-CG 3.83Å |
| 288 | R | 97.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.5 | 174.6 | -68.7 | -165.6 | 167.8 | -66.6 | -4.2 | 110.2 | L253 E254 N256 Y259 I285 M290 L329 I330 T332 W359 | L253-R288 PolarHBondContact O-NH1 3.41Å; E254-R288 CarbonylContact O-C 3.57Å; E254-R288 WeakPolarHBondContact O-CA 3.11Å; N256-R288 WeakPolarHBondContact OD1-CD 3.36Å; N256-R288 PolarHBondContact OD1-NH1 2.97Å; Y259-R288 VanDerWaalsContact OH-CZ 3.28Å; Y259-R288 PolarHBondContact OH-NE 3.49Å; Y259-R288 PolarHBondContact OH-NH2 3.21Å; I285-R288 HydrophobicContact CG2-CG 3.98Å; R288-M290 HydrophobicContact CB-CG 4Å; R288-M290 HydrophobicContact CB-SD 4.43Å; R288-M290 PolarHBondContact O-N 3.46Å; R288-L329 CarbonylContact O-C 3.4Å; R288-I330 PolarHBondContact N-O 3.4Å; R288-I330 PolarHBondContact O-N 3.01Å; R288-T332 HydrophobicContact CB-CG2 4.41Å; R288-T332 HydrophobicContact CG-CG2 4.02Å; R288-W359 HydrophobicContact CB-CH2 3.94Å; R288-W359 HydrophobicContact CG-CH2 4.38Å |
| 289 | L | 98.3 | Very high | 90 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.5 | 164 | -161.1 | 68.8 | 0 | 0 | 0 | 107.1 | P239 L245 E254 N256 R319 L327 S328 | P239-L289 HydrophobicContact CB-CD2 3.66Å; P239-L289 HydrophobicContact CG-CD2 4.01Å; L245-L289 HydrophobicContact CD2-CD2 4.5Å; E254-L289 PolarHBondContact O-N 3.07Å; N256-L289 PolarHBondContact ND2-O 3.33Å; L289-R319 HydrophobicContact CD1-CB 3.91Å; L289-R319 HydrophobicContact CD1-CG 4.13Å; L289-L327 HydrophobicContact CD1-CB 4Å; L289-L327 HydrophobicContact CD2-CB 4.34Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CG-CB 3.98Å; L289-L327 HydrophobicContact CG-CD1 4.22Å; L289-L327 HydrophobicContact CG-CG 4.5Å; L289-S328 CarbonylContact C-O 3.44Å; L289-S328 WeakPolarHBondContact CA-O 3.49Å |
| 290 | M | 98.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.1 | -173.2 | -64.5 | -173.7 | 74.2 | 0 | 0 | 110.2 | R288 L327 S328 I330 A335 V353 S354 V355 W359 I365 | R288-M290 HydrophobicContact CB-CG 4Å; R288-M290 HydrophobicContact CB-SD 4.43Å; R288-M290 PolarHBondContact O-N 3.46Å; M290-L327 WeakPolarHBondContact O-CA 3.22Å; M290-S328 PolarHBondContact N-O 2.77Å; M290-S328 PolarHBondContact O-N 2.86Å; M290-I330 HydrophobicContact CB-CB 4.38Å; M290-I330 HydrophobicContact CB-CG1 3.98Å; M290-I330 HydrophobicContact CG-CB 4.26Å; M290-I330 HydrophobicContact CG-CG1 4.42Å; M290-I330 HydrophobicContact SD-CB 3.9Å; M290-I330 HydrophobicContact SD-CG1 4.45Å; M290-I330 HydrophobicContact SD-CG2 4.14Å; M290-A335 HydrophobicContact CE-CB 3.9Å; M290-A335 HydrophobicContact SD-CB 3.83Å; M290-V353 HydrophobicContact CB-CG1 3.67Å; M290-V353 HydrophobicContact CE-CG1 3.72Å; M290-V353 HydrophobicContact CG-CG1 4.36Å; M290-V353 HydrophobicContact SD-CG1 3.91Å; M290-S354 WeakPolarHBondContact CE-O 3.05Å; M290-V355 HydrophobicContact CE-CG2 4.17Å; M290-W359 HydrophobicContact CE-CH2 4.3Å; M290-W359 HydrophobicContact CE-CZ3 4.29Å; M290-W359 HydrophobicContact CG-CH2 3.85Å; M290-W359 HydrophobicContact SD-CH2 4.49Å; M290-I365 HydrophobicContact CE-CD1 3.91Å |
| 291 | P | 98.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 139.9 | 170.1 | 29.3 | -35.2 | 0 | 0 | 0 | 110 | Y234 G326 S354 P356 | Y234-P291 VanDerWaalsContact O-CB 3.26Å; Y234-P291 WeakPolarHBondContact O-CB 3.4Å; P291-G326 WeakPolarHBondContact CA-O 3.36Å; P291-S354 WeakPolarHBondContact CD-O 3.04Å; P291-S354 VanDerWaalsContact CG-O 3.29Å; P291-S354 WeakPolarHBondContact CG-O 3.41Å; P291-S354 WeakPolarHBondContact CG-OG 3.07Å; P291-S354 PolarHBondContact O-N 2.82Å; P291-S354 VanDerWaalsContact O-N 3.16Å; P291-P356 HydrophobicContact CG-CG 3.89Å |
| 292 | V | 97.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145 | 175.4 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | F294 G326 I330 L351 E352 V353 | V292-F294 HydrophobicContact CG2-CE1 4.1Å; V292-F294 HydrophobicContact CG2-CE2 3.68Å; V292-F294 HydrophobicContact CG2-CZ 3.41Å; V292-F294 VanDerWaalsContact CG2-CZ 3.41Å; V292-G326 WeakPolarHBondContact CG2-O 3.47Å; V292-G326 PolarHBondContact N-O 3.12Å; V292-G326 PolarHBondContact O-N 2.05Å; V292-I330 HydrophobicContact CG1-CD1 4.45Å; V292-L351 HydrophobicContact CB-CD1 4Å; V292-L351 HydrophobicContact CB-CD2 4.09Å; V292-L351 HydrophobicContact CB-CG 4.47Å; V292-L351 HydrophobicContact CG1-CD1 3.63Å; V292-L351 HydrophobicContact CG1-CD2 4.14Å; V292-L351 HydrophobicContact CG1-CG 4.49Å; V292-L351 HydrophobicContact CG2-CD2 4.25Å; V292-E352 CarbonylContact C-O 3.56Å; V292-E352 VanDerWaalsContact CA-O 3.25Å; V292-E352 WeakPolarHBondContact CA-O 3.28Å; V292-V353 HydrophobicContact CG1-CG2 4.07Å |
| 293 | R | 97.5 | Very high | 89.1 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.2 | 166.5 | -179.8 | 178.7 | -69.1 | -86.2 | 2.3 | 108.9 | E324 L325 L351 E352 | R293-E324 CarbonylContact C-O 3.56Å; R293-E324 WeakPolarHBondContact CA-O 3.4Å; R293-E324 IonicContact NH1-OE2 3.65Å; R293-E324 PolarHBondContact NH1-OE2 3.39Å; R293-L325 HydrophobicContact CB-CD2 4.37Å; R293-L351 CarbonylContact O-C 3.5Å; R293-L351 WeakPolarHBondContact O-CA 3.37Å; R293-L351 VanDerWaalsContact O-CB 3.31Å; R293-L351 WeakPolarHBondContact O-CB 3.31Å; R293-E352 PolarHBondContact N-O 3.5Å; R293-E352 PolarHBondContact O-N 3.1Å |
| 294 | F | 96.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 152.9 | 176.2 | -56 | -82.6 | 0 | 0 | 0 | 110.8 | V292 S296 V298 L301 H318 E324 L341 V349 T350 L351 | V292-F294 HydrophobicContact CG2-CE1 4.1Å; V292-F294 HydrophobicContact CG2-CE2 3.68Å; V292-F294 HydrophobicContact CG2-CZ 3.41Å; V292-F294 VanDerWaalsContact CG2-CZ 3.41Å; F294-S296 VanDerWaalsContact CB-O 3.23Å; F294-S296 WeakPolarHBondContact CB-O 3.33Å; F294-S296 PolarHBondContact O-N 3.3Å; F294-V298 HydrophobicContact CD2-CB 4.5Å; F294-V298 HydrophobicContact CD2-CG1 4.04Å; F294-V298 HydrophobicContact CD2-CG2 3.78Å; F294-V298 HydrophobicContact CE2-CB 4.47Å; F294-V298 HydrophobicContact CE2-CG1 3.67Å; F294-V298 HydrophobicContact CE2-CG2 3.89Å; F294-V298 HydrophobicContact CZ-CG1 3.97Å; F294-L301 HydrophobicContact CD1-CD1 3.85Å; F294-L301 HydrophobicContact CE1-CD1 3.61Å; F294-L301 HydrophobicContact CZ-CD1 4.17Å; F294-H318 AromaticContact CE1-ND1 3.98Å; F294-H318 AromaticContact CZ-CE1 3.49Å; F294-H318 VanDerWaalsContact CZ-CE1 3.49Å; F294-H318 WeakPolarHBondContact CZ-CE1 3.39Å; F294-H318 AromaticContact CZ-ND1 3.46Å; F294-H318 WeakPolarHBondContact CZ-ND1 3.42Å; F294-E324 WeakPolarHBondContact CD2-O 3.32Å; F294-E324 PolarHBondContact N-O 3.18Å; F294-L341 HydrophobicContact CD1-CD2 4.3Å; F294-L341 HydrophobicContact CE1-CD2 3.89Å; F294-V349 HydrophobicContact CB-CG1 4.12Å; F294-V349 HydrophobicContact CD1-CG1 4.16Å; F294-T350 WeakPolarHBondContact CA-O 3.33Å; F294-L351 HydrophobicContact CD1-CB 3.89Å; F294-L351 HydrophobicContact CD1-CD2 3.82Å; F294-L351 HydrophobicContact CE1-CB 4.32Å; F294-L351 HydrophobicContact CE1-CD2 3.41Å; F294-L351 VanDerWaalsContact CE1-CD2 3.41Å; F294-L351 HydrophobicContact CZ-CD2 4.25Å |
| 295 | S | 94.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -71.9 | -8.8 | 173 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | T350 | S295-T350 VanDerWaalsContact CB-OG1 3.29Å; S295-T350 WeakPolarHBondContact CB-OG1 3.4Å; S295-T350 PolarHBondContact N-O 3.22Å; S295-T350 PolarHBondContact OG-N 3.16Å; S295-T350 VanDerWaalsContact OG-N 3.16Å; S295-T350 PolarHBondContact OG-O 3.48Å; S295-T350 PolarHBondContact OG-OG1 3.17Å |
| 296 | S | 91.1 | Very high | 91 | Very high | 43 Ų | 43 | 60 Ų | 60 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -156 | 160.1 | -179.3 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | F294 | F294-S296 VanDerWaalsContact CB-O 3.23Å; F294-S296 WeakPolarHBondContact CB-O 3.33Å; F294-S296 PolarHBondContact O-N 3.3Å |
| 297 | P | 86.8 | Confident | 91.2 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | trans | -60.6 | 143 | -175.7 | -28.3 | 36.8 | 0 | 0 | 0 | 115.7 | Q299 G323 | P297-Q299 PolarHBondContact O-N 2.83Å; P297-G323 CarbonylContact C-O 3.57Å; P297-G323 WeakPolarHBondContact CA-O 3.47Å | ||
| 298 | V | 76 | Confident | 91.2 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70.4 | 4.9 | -171.2 | -136.4 | 0 | 0 | 0 | 0 | 115.2 | F294 Q300 L301 G323 | F294-V298 HydrophobicContact CD2-CB 4.5Å; F294-V298 HydrophobicContact CD2-CG1 4.04Å; F294-V298 HydrophobicContact CD2-CG2 3.78Å; F294-V298 HydrophobicContact CE2-CB 4.47Å; F294-V298 HydrophobicContact CE2-CG1 3.67Å; F294-V298 HydrophobicContact CE2-CG2 3.89Å; F294-V298 HydrophobicContact CZ-CG1 3.97Å; V298-Q300 PolarHBondContact O-N 3Å; V298-L301 HydrophobicContact CG1-CB 4Å; V298-L301 HydrophobicContact CG1-CD1 3.57Å; V298-L301 HydrophobicContact CG1-CG 3.76Å; V298-L301 PolarHBondContact O-N 3Å; V298-L301 VanDerWaalsContact O-N 3.15Å; V298-G323 WeakPolarHBondContact CG2-O 3.42Å; V298-G323 PolarHBondContact N-O 3.15Å |
| 299 | Q | 67.6 | Low | 91.2 | Very high | 170 Ų | 170 | 50.9 Ų | 50.9 | 79% | 0.794 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 1.2 | -165 | -70.4 | 150.2 | -18.6 | 0 | 0 | 115.4 | P297 | P297-Q299 PolarHBondContact O-N 2.83Š|
| 300 | Q | 67.4 | Low | 91 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 14 | -177.7 | -63.9 | 176.6 | -18.7 | 0 | 0 | 113 | V298 S344 | V298-Q300 PolarHBondContact O-N 3Å; Q300-S344 PolarHBondContact O-N 3.12Å; Q300-S344 PolarHBondContact O-OG 3.27Å |
| 301 | L | 84 | Confident | 90.7 | Very high | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 129.5 | -180 | -50.4 | -163.4 | 0 | 0 | 0 | 111.1 | F294 V298 L341 V349 | F294-L301 HydrophobicContact CD1-CD1 3.85Å; F294-L301 HydrophobicContact CE1-CD1 3.61Å; F294-L301 HydrophobicContact CZ-CD1 4.17Å; V298-L301 HydrophobicContact CG1-CB 4Å; V298-L301 HydrophobicContact CG1-CD1 3.57Å; V298-L301 HydrophobicContact CG1-CG 3.76Å; V298-L301 PolarHBondContact O-N 3Å; V298-L301 VanDerWaalsContact O-N 3.15Å; L301-L341 HydrophobicContact CD1-CD1 3.65Å; L301-L341 HydrophobicContact CD1-CD2 3.77Å; L301-L341 HydrophobicContact CD1-CG 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.42Å; L301-L341 VanDerWaalsContact CD2-CD1 3.42Å; L301-L341 HydrophobicContact CG-CD1 4.12Å; L301-V349 HydrophobicContact CD2-CG2 4.35Å |
| 302 | E | 89.9 | Confident | 90.6 | Very high | 132 Ų | 132 | 63.9 Ų | 63.9 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 145.1 | 178.1 | -62.7 | -175.7 | 173 | 0 | 0 | 111.5 | G304 T305 | E302-G304 PolarHBondContact O-N 2.92Å; E302-T305 PolarHBondContact N-OG1 2.88Å; E302-T305 VanDerWaalsContact O-CB 3.3Å; E302-T305 WeakPolarHBondContact O-CB 3.4Å; E302-T305 PolarHBondContact O-N 2.83Å; E302-T305 VanDerWaalsContact O-N 3.16Å; E302-T305 PolarHBondContact O-OG1 3.37Å |
| 303 | E | 92.4 | Very high | 90.5 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.7 | 174.2 | -161.8 | -120.2 | 133.3 | 0 | 0 | 110.2 | T305 R319 | E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 3.05Å; E303-R319 VanDerWaalsContact CG-O 3.24Å; E303-R319 WeakPolarHBondContact CG-O 3.15Å; E303-R319 IonicContact OE1-CZ 3.48Å; E303-R319 IonicContact OE1-NH1 3.78Å; E303-R319 PolarHBondContact OE1-NH1 2.94Å |
| 304 | G | 94.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 2.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E302 A306 K317 H318 | E302-G304 PolarHBondContact O-N 2.92Å; G304-A306 PolarHBondContact O-N 3.41Å; G304-K317 WeakPolarHBondContact O-CD 3.38Å; G304-K317 WeakPolarHBondContact O-CE 3.37Å; G304-K317 WeakPolarHBondContact O-CG 3.08Å; G304-K317 PolarHBondContact O-NZ 2.81Å; G304-H318 WeakPolarHBondContact CA-O 3.4Å; G304-H318 PolarHBondContact N-O 2.9Å |
| 305 | T | 95.2 | Very high | 90.6 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 132.6 | 171.3 | -63 | 0 | 0 | 0 | 0 | 110.5 | E302 E303 K317 H318 L341 K342 | E302-T305 PolarHBondContact N-OG1 2.88Å; E302-T305 VanDerWaalsContact O-CB 3.3Å; E302-T305 WeakPolarHBondContact O-CB 3.4Å; E302-T305 PolarHBondContact O-N 2.83Å; E302-T305 VanDerWaalsContact O-N 3.16Å; E302-T305 PolarHBondContact O-OG1 3.37Å; E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 3.05Å; T305-K317 CarbonylContact O-C 3.46Å; T305-K317 VanDerWaalsContact O-CA 3.24Å; T305-K317 WeakPolarHBondContact O-CA 3.17Å; T305-H318 PolarHBondContact O-N 3.41Å; T305-L341 HydrophobicContact CG2-CB 4.05Å; T305-L341 HydrophobicContact CG2-CD1 4.29Å; T305-K342 WeakPolarHBondContact CG2-O 3.27Å |
| 306 | A | 96.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G304 | G304-A306 PolarHBondContact O-N 3.41Å |
| 307 | L | 97.3 | Very high | 91 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 141.7 | 173.2 | -68.1 | 164.2 | 0 | 0 | 0 | 110.6 | A315 G316 I330 S340 L341 L351 | L307-A315 HydrophobicContact CB-CB 4.31Å; L307-A315 PolarHBondContact O-N 3.21Å; L307-G316 PolarHBondContact N-O 2.91Å; L307-G316 PolarHBondContact O-N 3.1Å; L307-I330 HydrophobicContact CD1-CD1 3.38Å; L307-S340 WeakPolarHBondContact CA-O 3.24Å; L307-L341 HydrophobicContact CD2-CB 4.04Å; L307-L341 HydrophobicContact CD2-CD2 3.61Å; L307-L341 HydrophobicContact CD2-CG 4.38Å; L307-L351 HydrophobicContact CD2-CD2 3.5Å; L307-L351 VanDerWaalsContact CD2-CD2 3.5Å; L307-L351 HydrophobicContact CD2-CG 4.22Å |
| 308 | Q | 97.8 | Very high | 91.5 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.7 | 177.2 | -57.6 | -174.4 | 16.9 | 0 | 0 | 111.3 | K313 L339 S340 | Q308-K313 CarbonylContact C-O 3.56Å; Q308-K313 VanDerWaalsContact CA-O 3.24Å; Q308-K313 WeakPolarHBondContact CA-O 3.32Å; Q308-L339 CarbonylContact O-C 3.54Å; Q308-L339 WeakPolarHBondContact O-CA 3.31Å; Q308-S340 PolarHBondContact N-O 2.83Å; Q308-S340 PolarHBondContact O-N 2.61Å |
| 309 | T | 97.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 164.8 | 163.7 | 67 | 0 | 0 | 0 | 0 | 109.9 | S311 G312 K313 A315 H334 E337 L339 | T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 PolarHBondContact OG1-N 2.92Å; T309-S311 PolarHBondContact OG1-OG 2.88Å; T309-G312 PolarHBondContact O-N 3.5Å; T309-G312 PolarHBondContact OG1-N 3.35Å; T309-K313 HydrophobicContact CG2-CB 4.06Å; T309-K313 PolarHBondContact N-O 3.46Å; T309-K313 WeakPolarHBondContact OG1-CB 3.37Å; T309-K313 PolarHBondContact OG1-N 2.83Å; T309-K313 VanDerWaalsContact OG1-N 3.09Å; T309-A315 HydrophobicContact CG2-CB 4.15Å; T309-H334 HydrophobicContact CG2-CB 4.24Å; T309-E337 VanDerWaalsContact CB-OE2 3.25Å; T309-E337 WeakPolarHBondContact CB-OE2 3.35Å; T309-E337 WeakPolarHBondContact CG2-OE2 3.2Å; T309-L339 HydrophobicContact CG2-CD2 4.24Å |
| 310 | Q | 93.8 | Very high | 93.8 | Very high | 160 Ų | 160 | 57.6 Ų | 57.6 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.9 | 168.6 | -62.1 | -176.5 | -0.7 | 0 | 0 | 113.7 | G312 | Q310-G312 VanDerWaalsContact C-N 3.29Å; Q310-G312 PolarHBondContact O-N 2.87Å |
| 311 | S | 93.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 12.1 | 174.2 | 74 | 0 | 0 | 0 | 0 | 115 | T309 K313 | T309-S311 PolarHBondContact O-N 2.91Å; T309-S311 PolarHBondContact OG1-N 2.92Å; T309-S311 PolarHBondContact OG1-OG 2.88Å; S311-K313 PolarHBondContact O-N 2.97Å; S311-K313 WeakPolarHBondContact OG-CD 3.38Å; S311-K313 WeakPolarHBondContact OG-CE 3.41Å; S311-K313 WeakPolarHBondContact OG-CG 3.44Å |
| 312 | G | 94.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 73 | 3.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | T309 Q310 | T309-G312 PolarHBondContact O-N 3.5Å; T309-G312 PolarHBondContact OG1-N 3.35Å; Q310-G312 VanDerWaalsContact C-N 3.29Å; Q310-G312 PolarHBondContact O-N 2.87Å |
| 313 | K | 96.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | trans | -71.1 | 138.4 | 177.3 | -64 | 170.6 | -171.4 | 163.5 | 0 | 110.9 | Q308 T309 S311 A315 | Q308-K313 CarbonylContact C-O 3.56Å; Q308-K313 VanDerWaalsContact CA-O 3.24Å; Q308-K313 WeakPolarHBondContact CA-O 3.32Å; T309-K313 HydrophobicContact CG2-CB 4.06Å; T309-K313 PolarHBondContact N-O 3.46Å; T309-K313 WeakPolarHBondContact OG1-CB 3.37Å; T309-K313 PolarHBondContact OG1-N 2.83Å; T309-K313 VanDerWaalsContact OG1-N 3.09Å; S311-K313 PolarHBondContact O-N 2.97Å; S311-K313 WeakPolarHBondContact OG-CD 3.38Å; S311-K313 WeakPolarHBondContact OG-CE 3.41Å; S311-K313 WeakPolarHBondContact OG-CG 3.44Å; K313-A315 PolarHBondContact O-N 3.25Å | ||
| 314 | P | 97.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 119 | 175 | -22 | 32.6 | 0 | 0 | 0 | 111.3 | R331 | P314-R331 VanDerWaalsContact O-CD 3.23Å; P314-R331 WeakPolarHBondContact O-CD 3.03Å; P314-R331 VanDerWaalsContact O-CZ 3.24Å; P314-R331 PolarHBondContact O-NE 2.86Å; P314-R331 PolarHBondContact O-NH1 3.04Å |
| 315 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -22.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L307 T309 K313 R331 H334 L339 | L307-A315 HydrophobicContact CB-CB 4.31Å; L307-A315 PolarHBondContact O-N 3.21Å; T309-A315 HydrophobicContact CG2-CB 4.15Å; K313-A315 PolarHBondContact O-N 3.25Å; A315-R331 VanDerWaalsContact O-CB 3.28Å; A315-R331 WeakPolarHBondContact O-CB 3.45Å; A315-R331 WeakPolarHBondContact O-CG 3.18Å; A315-R331 PolarHBondContact O-N 3.2Å; A315-H334 HydrophobicContact CB-CB 4.11Å; A315-L339 HydrophobicContact CB-CD1 3.83Å; A315-L339 HydrophobicContact CB-CD2 3.56Å; A315-L339 HydrophobicContact CB-CG 4.27Å |
| 316 | G | 97.6 | Very high | 96 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -157.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L307 L329 | L307-G316 PolarHBondContact N-O 2.91Å; L307-G316 PolarHBondContact O-N 3.1Å; G316-L329 CarbonylContact C-O 3.52Å; G316-L329 WeakPolarHBondContact CA-O 3.34Å |
| 317 | K | 97.6 | Very high | 96.1 | Very high | 110 Ų | 110 | 44.9 Ų | 44.9 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145 | 168.5 | -71.2 | -174.7 | 162.9 | -126.4 | 0 | 111.6 | G304 T305 S328 L329 | G304-K317 WeakPolarHBondContact O-CD 3.38Å; G304-K317 WeakPolarHBondContact O-CE 3.37Å; G304-K317 WeakPolarHBondContact O-CG 3.08Å; G304-K317 PolarHBondContact O-NZ 2.81Å; T305-K317 CarbonylContact O-C 3.46Å; T305-K317 VanDerWaalsContact O-CA 3.24Å; T305-K317 WeakPolarHBondContact O-CA 3.17Å; K317-S328 CarbonylContact O-C 3.54Å; K317-S328 WeakPolarHBondContact O-CA 3.47Å; K317-S328 WeakPolarHBondContact O-CB 3.45Å; K317-L329 PolarHBondContact N-O 2.85Å; K317-L329 PolarHBondContact O-N 2.99Å |
| 318 | H | 96.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 147.6 | 165.7 | -175.9 | 53.6 | 0 | 0 | 0 | 110.7 | F294 G304 T305 S320 | F294-H318 AromaticContact CE1-ND1 3.98Å; F294-H318 AromaticContact CZ-CE1 3.49Å; F294-H318 VanDerWaalsContact CZ-CE1 3.49Å; F294-H318 WeakPolarHBondContact CZ-CE1 3.39Å; F294-H318 AromaticContact CZ-ND1 3.46Å; F294-H318 WeakPolarHBondContact CZ-ND1 3.42Å; G304-H318 WeakPolarHBondContact CA-O 3.4Å; G304-H318 PolarHBondContact N-O 2.9Å; T305-H318 PolarHBondContact O-N 3.41Å; H318-S320 PolarHBondContact CE1-O 2.94Å |
| 319 | R | 96.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -73.9 | 171.7 | -178.4 | 65.4 | 70.4 | -165.9 | 6.7 | 111.3 | D243 D244 L289 E303 L327 | D243-R319 WeakPolarHBondContact O-CD 3.47Å; D243-R319 VanDerWaalsContact O-CG 3.3Å; D243-R319 WeakPolarHBondContact O-CG 3.18Å; D244-R319 WeakPolarHBondContact O-CD 3.12Å; D244-R319 WeakPolarHBondContact O-CG 3.48Å; L289-R319 HydrophobicContact CD1-CB 3.91Å; L289-R319 HydrophobicContact CD1-CG 4.13Å; E303-R319 VanDerWaalsContact CG-O 3.24Å; E303-R319 WeakPolarHBondContact CG-O 3.15Å; E303-R319 IonicContact OE1-CZ 3.48Å; E303-R319 IonicContact OE1-NH1 3.78Å; E303-R319 PolarHBondContact OE1-NH1 2.94Å; R319-L327 HydrophobicContact CB-CB 4.4Å; R319-L327 WeakPolarHBondContact CB-O 3.36Å; R319-L327 PolarHBondContact N-O 3.16Å; R319-L327 VanDerWaalsContact N-O 3.1Å |
| 320 | S | 95.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 168 | -176.6 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | Y234 H318 G326 L327 | Y234-S320 PolarHBondContact OH-OG 3.04Å; H318-S320 PolarHBondContact CE1-O 2.94Å; S320-G326 CarbonylContact O-C 3.58Å; S320-G326 WeakPolarHBondContact O-CA 3.49Å; S320-L327 PolarHBondContact N-O 3.27Å; S320-L327 PolarHBondContact O-N 3.02Å |
| 321 | G | 94.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y234 L325 | Y234-G321 VanDerWaalsContact CE2-CA 3.49Å; G321-L325 CarbonylContact C-O 3.51Å; G321-L325 WeakPolarHBondContact CA-O 3.37Å |
| 322 | V | 93.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.3 | 177 | 164.2 | 0 | 0 | 0 | 0 | 108.8 | H230 K231 Y234 E324 L325 | H230-V322 HydrophobicContact CB-CG2 4.21Å; K231-V322 HydrophobicContact CG-CG1 3.94Å; Y234-V322 HydrophobicContact CD2-CB 4.19Å; Y234-V322 HydrophobicContact CE2-CB 3.9Å; Y234-V322 HydrophobicContact CE2-CG2 3.9Å; V322-E324 PolarHBondContact O-N 3.39Å; V322-L325 PolarHBondContact N-O 3.16Å; V322-L325 PolarHBondContact O-N 3.26Å; V322-L325 VanDerWaalsContact O-N 3.13Å |
| 323 | G | 93.2 | Very high | 96.5 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | -122.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P297 V298 | P297-G323 CarbonylContact C-O 3.57Å; P297-G323 WeakPolarHBondContact CA-O 3.47Å; V298-G323 WeakPolarHBondContact CG2-O 3.42Å; V298-G323 PolarHBondContact N-O 3.15Å |
| 324 | E | 95.6 | Very high | 96.4 | Very high | 88 Ų | 88 | 33.6 Ų | 33.6 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.6 | 174.3 | -64.2 | 169.9 | 170.8 | 0 | 0 | 112.6 | R293 F294 V322 | R293-E324 CarbonylContact C-O 3.56Å; R293-E324 WeakPolarHBondContact CA-O 3.4Å; R293-E324 IonicContact NH1-OE2 3.65Å; R293-E324 PolarHBondContact NH1-OE2 3.39Å; F294-E324 WeakPolarHBondContact CD2-O 3.32Å; F294-E324 PolarHBondContact N-O 3.18Å; V322-E324 PolarHBondContact O-N 3.39Å |
| 325 | L | 97 | Very high | 96.3 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 150 | -174.3 | -63 | 176 | 0 | 0 | 0 | 110.6 | K231 R293 G321 V322 | K231-L325 HydrophobicContact CB-CD1 4.18Å; K231-L325 WeakPolarHBondContact O-CD1 3.34Å; R293-L325 HydrophobicContact CB-CD2 4.37Å; G321-L325 CarbonylContact C-O 3.51Å; G321-L325 WeakPolarHBondContact CA-O 3.37Å; V322-L325 PolarHBondContact N-O 3.16Å; V322-L325 PolarHBondContact O-N 3.26Å; V322-L325 VanDerWaalsContact O-N 3.13Å |
| 326 | G | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | -166.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | P291 V292 S320 | P291-G326 WeakPolarHBondContact CA-O 3.36Å; V292-G326 WeakPolarHBondContact CG2-O 3.47Å; V292-G326 PolarHBondContact N-O 3.12Å; V292-G326 PolarHBondContact O-N 2.05Å; S320-G326 CarbonylContact O-C 3.58Å; S320-G326 WeakPolarHBondContact O-CA 3.49Å |
| 327 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.5 | 173.7 | -63.6 | 178 | 0 | 0 | 0 | 110.2 | Y234 P239 D244 L289 M290 R319 S320 | Y234-L327 HydrophobicContact CD1-CD1 4.1Å; Y234-L327 HydrophobicContact CD1-CD2 4.45Å; Y234-L327 HydrophobicContact CD1-CG 3.74Å; Y234-L327 HydrophobicContact CE1-CD1 4.14Å; Y234-L327 HydrophobicContact CE1-CG 4.07Å; P239-L327 HydrophobicContact CB-CD1 3.89Å; D244-L327 HydrophobicContact CB-CD1 4.26Å; L289-L327 HydrophobicContact CD1-CB 4Å; L289-L327 HydrophobicContact CD2-CB 4.34Å; L289-L327 HydrophobicContact CD2-CD1 3.79Å; L289-L327 HydrophobicContact CG-CB 3.98Å; L289-L327 HydrophobicContact CG-CD1 4.22Å; L289-L327 HydrophobicContact CG-CG 4.5Å; M290-L327 WeakPolarHBondContact O-CA 3.22Å; R319-L327 HydrophobicContact CB-CB 4.4Å; R319-L327 WeakPolarHBondContact CB-O 3.36Å; R319-L327 PolarHBondContact N-O 3.16Å; R319-L327 VanDerWaalsContact N-O 3.1Å; S320-L327 PolarHBondContact N-O 3.27Å; S320-L327 PolarHBondContact O-N 3.02Å |
| 328 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.7 | 172.5 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | L289 M290 K317 I330 | L289-S328 CarbonylContact C-O 3.44Å; L289-S328 WeakPolarHBondContact CA-O 3.49Å; M290-S328 PolarHBondContact N-O 2.77Å; M290-S328 PolarHBondContact O-N 2.86Å; K317-S328 CarbonylContact O-C 3.54Å; K317-S328 WeakPolarHBondContact O-CA 3.47Å; K317-S328 WeakPolarHBondContact O-CB 3.45Å; S328-I330 PolarHBondContact O-N 3.3Å; S328-I330 VanDerWaalsContact O-N 3.16Å |
| 329 | L | 98.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 88.8 | 175.4 | -176.9 | 62.2 | 0 | 0 | 0 | 109.1 | E254 K287 R288 G316 K317 | E254-L329 HydrophobicContact CB-CD1 4.02Å; K287-L329 HydrophobicContact CB-CD1 3.93Å; K287-L329 HydrophobicContact CB-CG 4.27Å; K287-L329 HydrophobicContact CD-CD2 4.47Å; K287-L329 HydrophobicContact CD-CG 4.41Å; R288-L329 CarbonylContact O-C 3.4Å; G316-L329 CarbonylContact C-O 3.52Å; G316-L329 WeakPolarHBondContact CA-O 3.34Å; K317-L329 PolarHBondContact N-O 2.85Å; K317-L329 PolarHBondContact O-N 2.99Å |
| 330 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.1 | -173.8 | -55.6 | -52.7 | 0 | 0 | 0 | 110.9 | K287 R288 M290 V292 L307 S328 T332 A335 L339 V353 | K287-I330 CarbonylContact C-O 3.53Å; K287-I330 WeakPolarHBondContact CA-O 3.43Å; R288-I330 PolarHBondContact N-O 3.4Å; R288-I330 PolarHBondContact O-N 3.01Å; M290-I330 HydrophobicContact CB-CB 4.38Å; M290-I330 HydrophobicContact CB-CG1 3.98Å; M290-I330 HydrophobicContact CG-CB 4.26Å; M290-I330 HydrophobicContact CG-CG1 4.42Å; M290-I330 HydrophobicContact SD-CB 3.9Å; M290-I330 HydrophobicContact SD-CG1 4.45Å; M290-I330 HydrophobicContact SD-CG2 4.14Å; V292-I330 HydrophobicContact CG1-CD1 4.45Å; L307-I330 HydrophobicContact CD1-CD1 3.38Å; S328-I330 PolarHBondContact O-N 3.3Å; S328-I330 VanDerWaalsContact O-N 3.16Å; I330-T332 PolarHBondContact O-N 2.86Å; I330-A335 HydrophobicContact CG2-CB 3.92Å; I330-L339 HydrophobicContact CD1-CD1 3.76Å; I330-L339 HydrophobicContact CG2-CD1 4.34Å; I330-V353 HydrophobicContact CD1-CG2 4.1Å; I330-V353 HydrophobicContact CG1-CG1 4.03Å; I330-V353 HydrophobicContact CG1-CG2 4Å; I330-V353 HydrophobicContact CG2-CG1 4.45Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å |
| 331 | R | 97.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 41% | 0.408 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 119.9 | 164 | -69.3 | 173.9 | 178.5 | -167.5 | -5 | 108.4 | R286 K287 P314 A315 A333 H334 | R286-R331 CarbonylContact O-C 3.26Å; R286-R331 VanDerWaalsContact O-CA 3.31Å; R286-R331 WeakPolarHBondContact O-CA 3.18Å; K287-R331 HydrophobicContact CD-CG 4.33Å; K287-R331 HydrophobicContact CG-CG 3.83Å; P314-R331 VanDerWaalsContact O-CD 3.23Å; P314-R331 WeakPolarHBondContact O-CD 3.03Å; P314-R331 VanDerWaalsContact O-CZ 3.24Å; P314-R331 PolarHBondContact O-NE 2.86Å; P314-R331 PolarHBondContact O-NH1 3.04Å; A315-R331 VanDerWaalsContact O-CB 3.28Å; A315-R331 WeakPolarHBondContact O-CB 3.45Å; A315-R331 WeakPolarHBondContact O-CG 3.18Å; A315-R331 PolarHBondContact O-N 3.2Å; R331-A333 PolarHBondContact O-N 3.44Å; R331-H334 PolarHBondContact O-N 3.15Å |
| 332 | T | 94.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -56.8 | -30 | -171.2 | 49 | 0 | 0 | 0 | 0 | 114 | R286 R288 I330 H334 A335 | R286-T332 PolarHBondContact O-N 3.28Å; R286-T332 PolarHBondContact O-OG1 3.34Å; R288-T332 HydrophobicContact CB-CG2 4.41Å; R288-T332 HydrophobicContact CG-CG2 4.02Å; I330-T332 PolarHBondContact O-N 2.86Å; T332-H334 PolarHBondContact O-N 2.92Å; T332-A335 WeakPolarHBondContact O-CB 3.43Å; T332-A335 PolarHBondContact O-N 3.27Å |
| 333 | A | 94.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 38.5 Ų | 38.5 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -70.6 | -4.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R331 | R331-A333 PolarHBondContact O-N 3.44Š|
| 334 | H | 96.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 41 Ų | 41 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -121.8 | 7 | 177 | -60.1 | -54 | 0 | 0 | 0 | 112 | T309 A315 R331 T332 K336 E337 L339 | T309-H334 HydrophobicContact CG2-CB 4.24Å; A315-H334 HydrophobicContact CB-CB 4.11Å; R331-H334 PolarHBondContact O-N 3.15Å; T332-H334 PolarHBondContact O-N 2.92Å; H334-K336 PolarHBondContact O-N 3.19Å; H334-E337 IonicContact CE1-OE1 3.7Å; H334-E337 IonicContact CG-OE1 3.62Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 PolarHBondContact ND1-OE1 3.49Å; H334-E337 PolarHBondContact O-N 3.35Å; H334-E337 VanDerWaalsContact O-N 3.13Å; H334-L339 HydrophobicContact CB-CD2 4.35Å |
| 335 | A | 94 | Very high | 94.6 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M290 I330 T332 V353 I365 | M290-A335 HydrophobicContact CE-CB 3.9Å; M290-A335 HydrophobicContact SD-CB 3.83Å; I330-A335 HydrophobicContact CG2-CB 3.92Å; T332-A335 WeakPolarHBondContact O-CB 3.43Å; T332-A335 PolarHBondContact O-N 3.27Å; A335-V353 HydrophobicContact CB-CG1 4.27Å; A335-I365 HydrophobicContact CB-CG2 3.83Å |
| 336 | K | 93.7 | Very high | 94 | Very high | 144 Ų | 144 | 44.4 Ų | 44.4 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -2.6 | 171.1 | -63.5 | 176.3 | -174.4 | 162.1 | 0 | 113 | H334 I365 N366 | H334-K336 PolarHBondContact O-N 3.19Å; K336-I365 WeakPolarHBondContact CE-O 3.38Å; K336-I365 PolarHBondContact NZ-O 3.36Å; K336-N366 WeakPolarHBondContact CE-OXT 3.34Å; K336-N366 PolarHBondContact NZ-OXT 3Å |
| 337 | E | 95.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -89.3 | 146.1 | 176.6 | -63.2 | -178.4 | -121.5 | 0 | 0 | 109.5 | T309 H334 L339 | T309-E337 VanDerWaalsContact CB-OE2 3.25Å; T309-E337 WeakPolarHBondContact CB-OE2 3.35Å; T309-E337 WeakPolarHBondContact CG2-OE2 3.2Å; H334-E337 IonicContact CE1-OE1 3.7Å; H334-E337 IonicContact CG-OE1 3.62Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 PolarHBondContact ND1-OE1 3.49Å; H334-E337 PolarHBondContact O-N 3.35Å; H334-E337 VanDerWaalsContact O-N 3.13Å; E337-L339 HydrophobicContact CB-CD2 4.02Å; E337-L339 PolarHBondContact O-N 3.09Å |
| 338 | V | 96.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -68 | 123.5 | 162.8 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | ||
| 339 | L | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 163.8 | -178.3 | -54.8 | -176.2 | 0 | 0 | 0 | 110.4 | Q308 T309 A315 I330 H334 E337 T350 L351 V353 | Q308-L339 CarbonylContact O-C 3.54Å; Q308-L339 WeakPolarHBondContact O-CA 3.31Å; T309-L339 HydrophobicContact CG2-CD2 4.24Å; A315-L339 HydrophobicContact CB-CD1 3.83Å; A315-L339 HydrophobicContact CB-CD2 3.56Å; A315-L339 HydrophobicContact CB-CG 4.27Å; I330-L339 HydrophobicContact CD1-CD1 3.76Å; I330-L339 HydrophobicContact CG2-CD1 4.34Å; H334-L339 HydrophobicContact CB-CD2 4.35Å; E337-L339 HydrophobicContact CB-CD2 4.02Å; E337-L339 PolarHBondContact O-N 3.09Å; L339-T350 CarbonylContact O-C 3.5Å; L339-T350 VanDerWaalsContact O-CA 3.3Å; L339-T350 WeakPolarHBondContact O-CA 3.32Å; L339-L351 HydrophobicContact CB-CD1 3.85Å; L339-L351 HydrophobicContact CB-CG 4.13Å; L339-L351 HydrophobicContact CD1-CD1 4.2Å; L339-L351 HydrophobicContact CG-CD1 4.3Å; L339-L351 PolarHBondContact N-O 2.92Å; L339-L351 PolarHBondContact O-N 3.24Å; L339-V353 HydrophobicContact CD1-CG2 3.84Å; L339-V353 HydrophobicContact CG-CG2 4.37Å |
| 340 | S | 96.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 55 Ų | 55 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.9 | 173.9 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | L307 Q308 V349 | L307-S340 WeakPolarHBondContact CA-O 3.24Å; Q308-S340 PolarHBondContact N-O 2.83Å; Q308-S340 PolarHBondContact O-N 2.61Å; S340-V349 VanDerWaalsContact CA-O 3.28Å; S340-V349 WeakPolarHBondContact CA-O 3.34Å |
| 341 | L | 95.1 | Very high | 93 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 166.2 | 172 | 60.7 | 95.2 | 0 | 0 | 0 | 109.1 | F294 L301 T305 L307 V349 L351 | F294-L341 HydrophobicContact CD1-CD2 4.3Å; F294-L341 HydrophobicContact CE1-CD2 3.89Å; L301-L341 HydrophobicContact CD1-CD1 3.65Å; L301-L341 HydrophobicContact CD1-CD2 3.77Å; L301-L341 HydrophobicContact CD1-CG 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.42Å; L301-L341 VanDerWaalsContact CD2-CD1 3.42Å; L301-L341 HydrophobicContact CG-CD1 4.12Å; T305-L341 HydrophobicContact CG2-CB 4.05Å; T305-L341 HydrophobicContact CG2-CD1 4.29Å; L307-L341 HydrophobicContact CD2-CB 4.04Å; L307-L341 HydrophobicContact CD2-CD2 3.61Å; L307-L341 HydrophobicContact CD2-CG 4.38Å; L341-V349 HydrophobicContact CD1-CB 3.98Å; L341-V349 HydrophobicContact CD1-CG2 4.44Å; L341-V349 HydrophobicContact CG-CB 4.24Å; L341-V349 PolarHBondContact N-O 2.8Å; L341-V349 PolarHBondContact O-N 2.87Å; L341-L351 HydrophobicContact CD2-CD2 4.09Å |
| 342 | K | 90.9 | Very high | 93 | Very high | 108 Ų | 108 | 56 Ų | 56 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.3 | 170.5 | -69 | 176.9 | 134.4 | -152 | 0 | 109.1 | T305 D346 T347 L348 | T305-K342 WeakPolarHBondContact CG2-O 3.27Å; K342-D346 VanDerWaalsContact CD-OD1 3.28Å; K342-D346 WeakPolarHBondContact CD-OD1 3.24Å; K342-D346 VanDerWaalsContact CE-OD1 3.25Å; K342-D346 WeakPolarHBondContact CE-OD1 3.32Å; K342-D346 IonicContact NZ-OD1 2.66Å; K342-D346 PolarHBondContact NZ-OD1 3.11Å; K342-D346 IonicContact NZ-OD2 2.67Å; K342-D346 PolarHBondContact NZ-OD2 2.88Å; K342-T347 WeakPolarHBondContact CA-O 3.35Å; K342-L348 HydrophobicContact CG-CD1 4.4Å |
| 343 | S | 87.3 | Confident | 93.1 | Very high | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | trans | -72.2 | 173.3 | 168.9 | 38.1 | 0 | 0 | 0 | 0 | 111 | D345 D346 T347 | S343-D345 VanDerWaalsContact CB-OD1 3.26Å; S343-D345 WeakPolarHBondContact CB-OD1 3.39Å; S343-D345 PolarHBondContact O-N 3.06Å; S343-D345 VanDerWaalsContact O-N 3.16Å; S343-D345 PolarHBondContact OG-OD1 2.9Å; S343-D346 PolarHBondContact O-N 3.02Å; S343-T347 PolarHBondContact N-O 2.91Å; S343-T347 WeakPolarHBondContact OG-CB 3.42Å; S343-T347 PolarHBondContact OG-O 3.31Å | ||
| 344 | S | 85 | Confident | 93.2 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 58% | 0.58 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.6 | -177.8 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | Q300 | Q300-S344 PolarHBondContact O-N 3.12Å; Q300-S344 PolarHBondContact O-OG 3.27Å |
| 345 | D | 86 | Confident | 93.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.6 | 172.9 | 72 | -28.8 | 0 | 0 | 0 | 113.8 | S343 T347 | S343-D345 VanDerWaalsContact CB-OD1 3.26Å; S343-D345 WeakPolarHBondContact CB-OD1 3.39Å; S343-D345 PolarHBondContact O-N 3.06Å; S343-D345 VanDerWaalsContact O-N 3.16Å; S343-D345 PolarHBondContact OG-OD1 2.9Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 2.67Å; D345-T347 VanDerWaalsContact OD1-CB 3.28Å; D345-T347 WeakPolarHBondContact OD1-CB 3.41Å; D345-T347 PolarHBondContact OD1-N 2.81Å; D345-T347 VanDerWaalsContact OD1-N 3.12Å; D345-T347 PolarHBondContact OD1-OG1 2.87Å; D345-T347 WeakPolarHBondContact OD2-CB 3.46Å; D345-T347 PolarHBondContact OD2-OG1 3.25Å |
| 346 | D | 84.1 | Confident | 93.1 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | trans | 67.2 | 6.2 | -173.9 | -149.2 | 52.9 | 0 | 0 | 0 | 115.7 | K342 S343 | K342-D346 VanDerWaalsContact CD-OD1 3.28Å; K342-D346 WeakPolarHBondContact CD-OD1 3.24Å; K342-D346 VanDerWaalsContact CE-OD1 3.25Å; K342-D346 WeakPolarHBondContact CE-OD1 3.32Å; K342-D346 IonicContact NZ-OD1 2.66Å; K342-D346 PolarHBondContact NZ-OD1 3.11Å; K342-D346 IonicContact NZ-OD2 2.67Å; K342-D346 PolarHBondContact NZ-OD2 2.88Å; S343-D346 PolarHBondContact O-N 3.02Å | ||
| 347 | T | 88.9 | Confident | 93 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | trans | -64.7 | 136.7 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | K342 S343 D345 V349 | K342-T347 WeakPolarHBondContact CA-O 3.35Å; S343-T347 PolarHBondContact N-O 2.91Å; S343-T347 WeakPolarHBondContact OG-CB 3.42Å; S343-T347 PolarHBondContact OG-O 3.31Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 2.67Å; D345-T347 VanDerWaalsContact OD1-CB 3.28Å; D345-T347 WeakPolarHBondContact OD1-CB 3.41Å; D345-T347 PolarHBondContact OD1-N 2.81Å; D345-T347 VanDerWaalsContact OD1-N 3.12Å; D345-T347 PolarHBondContact OD1-OG1 2.87Å; D345-T347 WeakPolarHBondContact OD2-CB 3.46Å; D345-T347 PolarHBondContact OD2-OG1 3.25Å; T347-V349 PolarHBondContact O-N 3.21Å | ||
| 348 | L | 91.8 | Very high | 92.9 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115.5 | 178.4 | -171.6 | 73.2 | 0 | 0 | 0 | 110.3 | K342 | K342-L348 HydrophobicContact CG-CD1 4.4Å |
| 349 | V | 94.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.1 | 173.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | F294 L301 S340 L341 T347 | F294-V349 HydrophobicContact CB-CG1 4.12Å; F294-V349 HydrophobicContact CD1-CG1 4.16Å; L301-V349 HydrophobicContact CD2-CG2 4.35Å; S340-V349 VanDerWaalsContact CA-O 3.28Å; S340-V349 WeakPolarHBondContact CA-O 3.34Å; L341-V349 HydrophobicContact CD1-CB 3.98Å; L341-V349 HydrophobicContact CD1-CG2 4.44Å; L341-V349 HydrophobicContact CG-CB 4.24Å; L341-V349 PolarHBondContact N-O 2.8Å; L341-V349 PolarHBondContact O-N 2.87Å; T347-V349 PolarHBondContact O-N 3.21Å |
| 350 | T | 96.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 36% | 0.356 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 155.1 | 171.1 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | F294 S295 L339 | F294-T350 WeakPolarHBondContact CA-O 3.33Å; S295-T350 VanDerWaalsContact CB-OG1 3.29Å; S295-T350 WeakPolarHBondContact CB-OG1 3.4Å; S295-T350 PolarHBondContact N-O 3.22Å; S295-T350 PolarHBondContact OG-N 3.16Å; S295-T350 VanDerWaalsContact OG-N 3.16Å; S295-T350 PolarHBondContact OG-O 3.48Å; S295-T350 PolarHBondContact OG-OG1 3.17Å; L339-T350 CarbonylContact O-C 3.5Å; L339-T350 VanDerWaalsContact O-CA 3.3Å; L339-T350 WeakPolarHBondContact O-CA 3.32Å |
| 351 | L | 96.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.9 | 171.3 | 71.4 | 76.9 | 0 | 0 | 0 | 112.6 | V292 R293 F294 L307 L339 L341 V353 | V292-L351 HydrophobicContact CB-CD1 4Å; V292-L351 HydrophobicContact CB-CD2 4.09Å; V292-L351 HydrophobicContact CB-CG 4.47Å; V292-L351 HydrophobicContact CG1-CD1 3.63Å; V292-L351 HydrophobicContact CG1-CD2 4.14Å; V292-L351 HydrophobicContact CG1-CG 4.49Å; V292-L351 HydrophobicContact CG2-CD2 4.25Å; R293-L351 CarbonylContact O-C 3.5Å; R293-L351 WeakPolarHBondContact O-CA 3.37Å; R293-L351 VanDerWaalsContact O-CB 3.31Å; R293-L351 WeakPolarHBondContact O-CB 3.31Å; F294-L351 HydrophobicContact CD1-CB 3.89Å; F294-L351 HydrophobicContact CD1-CD2 3.82Å; F294-L351 HydrophobicContact CE1-CB 4.32Å; F294-L351 HydrophobicContact CE1-CD2 3.41Å; F294-L351 VanDerWaalsContact CE1-CD2 3.41Å; F294-L351 HydrophobicContact CZ-CD2 4.25Å; L307-L351 HydrophobicContact CD2-CD2 3.5Å; L307-L351 VanDerWaalsContact CD2-CD2 3.5Å; L307-L351 HydrophobicContact CD2-CG 4.22Å; L339-L351 HydrophobicContact CB-CD1 3.85Å; L339-L351 HydrophobicContact CB-CG 4.13Å; L339-L351 HydrophobicContact CD1-CD1 4.2Å; L339-L351 HydrophobicContact CG-CD1 4.3Å; L339-L351 PolarHBondContact N-O 2.92Å; L339-L351 PolarHBondContact O-N 3.24Å; L341-L351 HydrophobicContact CD2-CD2 4.09Å; L351-V353 HydrophobicContact CD1-CG2 3.66Å |
| 352 | E | 97.3 | Very high | 90.5 | Very high | 127 Ų | 127 | 73.9 Ų | 73.9 | 59% | 0.593 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 141.7 | 169.1 | -64 | -177.4 | 165.4 | 0 | 0 | 109.1 | V292 R293 | V292-E352 CarbonylContact C-O 3.56Å; V292-E352 VanDerWaalsContact CA-O 3.25Å; V292-E352 WeakPolarHBondContact CA-O 3.28Å; R293-E352 PolarHBondContact N-O 3.5Å; R293-E352 PolarHBondContact O-N 3.1Å |
| 353 | V | 97.6 | Very high | 89.3 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | M290 V292 I330 A335 L339 L351 | M290-V353 HydrophobicContact CB-CG1 3.67Å; M290-V353 HydrophobicContact CE-CG1 3.72Å; M290-V353 HydrophobicContact CG-CG1 4.36Å; M290-V353 HydrophobicContact SD-CG1 3.91Å; V292-V353 HydrophobicContact CG1-CG2 4.07Å; I330-V353 HydrophobicContact CD1-CG2 4.1Å; I330-V353 HydrophobicContact CG1-CG1 4.03Å; I330-V353 HydrophobicContact CG1-CG2 4Å; I330-V353 HydrophobicContact CG2-CG1 4.45Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å; A335-V353 HydrophobicContact CB-CG1 4.27Å; L339-V353 HydrophobicContact CD1-CG2 3.84Å; L339-V353 HydrophobicContact CG-CG2 4.37Å; L351-V353 HydrophobicContact CD1-CG2 3.66Å |
| 354 | S | 95.7 | Very high | 87.9 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 42% | 0.42 | 42% | 0.418 | S | S | . | . | trans | -113 | 164.7 | 171.5 | 62.2 | 0 | 0 | 0 | 0 | 112 | M290 P291 | M290-S354 WeakPolarHBondContact CE-O 3.05Å; P291-S354 WeakPolarHBondContact CD-O 3.04Å; P291-S354 VanDerWaalsContact CG-O 3.29Å; P291-S354 WeakPolarHBondContact CG-O 3.41Å; P291-S354 WeakPolarHBondContact CG-OG 3.07Å; P291-S354 PolarHBondContact O-N 2.82Å; P291-S354 VanDerWaalsContact O-N 3.16Å | ||
| 355 | V | 94.7 | Very high | 86.8 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -108.7 | 122 | 176.2 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | M290 D357 W359 I365 | M290-V355 HydrophobicContact CE-CG2 4.17Å; V355-D357 PolarHBondContact O-N 3.29Å; V355-W359 HydrophobicContact CG1-CE3 3.93Å; V355-W359 HydrophobicContact CG1-CZ3 4.43Å; V355-I365 HydrophobicContact CB-CD1 4.13Å; V355-I365 HydrophobicContact CG1-CD1 3.58Å; V355-I365 HydrophobicContact CG2-CD1 3.39Å | ||
| 356 | P | 94.6 | Very high | 85 | Confident | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | trans | -65 | 133 | 179.1 | -23.2 | 33.3 | 0 | 0 | 0 | 112.9 | I236 P291 W358 W359 | I236-P356 WeakPolarHBondContact O-CB 3.21Å; I236-P356 WeakPolarHBondContact O-CG 3.11Å; P291-P356 HydrophobicContact CG-CG 3.89Å; P356-W358 HydrophobicContact CB-CD2 4.4Å; P356-W358 HydrophobicContact CB-CG 4.31Å; P356-W358 HydrophobicContact CB-CZ2 4.34Å; P356-W358 VanDerWaalsContact CB-NE1 3.31Å; P356-W358 PolarHBondContact O-N 2.69Å; P356-W358 VanDerWaalsContact O-N 3.12Å; P356-W359 HydrophobicContact CB-CG 4.28Å; P356-W359 HydrophobicContact CG-CD2 4.34Å; P356-W359 HydrophobicContact CG-CG 4.48Å; P356-W359 HydrophobicContact CG-CZ2 4.13Å; P356-W359 WeakPolarHBondContact O-CB 3.39Å; P356-W359 PolarHBondContact O-N 3.18Å | ||
| 357 | D | 91.3 | Very high | 85 | Confident | 155 Ų | 155 | 77.8 Ų | 77.8 | 83% | 0.829 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.5 | -176.7 | -57.3 | -50 | 0 | 0 | 0 | 114.1 | V355 W359 | V355-D357 PolarHBondContact O-N 3.29Å; D357-W359 VanDerWaalsContact C-N 3.33Å |
| 358 | W | 92.2 | Very high | 84.8 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4.7 | 175.7 | 61.7 | -93.6 | 0 | 0 | 0 | 113.9 | A199 I236 M260 P356 | A199-W358 HydrophobicContact CB-CD2 4.09Å; A199-W358 HydrophobicContact CB-CE3 4.38Å; A199-W358 HydrophobicContact CB-CG 4.23Å; I236-W358 PolarHBondContact O-NE1 3.38Å; M260-W358 HydrophobicContact CG-CH2 3.56Å; M260-W358 HydrophobicContact CG-CZ3 3.77Å; M260-W358 HydrophobicContact SD-CH2 4.36Å; P356-W358 HydrophobicContact CB-CD2 4.4Å; P356-W358 HydrophobicContact CB-CG 4.31Å; P356-W358 HydrophobicContact CB-CZ2 4.34Å; P356-W358 VanDerWaalsContact CB-NE1 3.31Å; P356-W358 PolarHBondContact O-N 2.69Å; P356-W358 VanDerWaalsContact O-N 3.12Å |
| 359 | W | 93.8 | Very high | 84.4 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 5% | 0.045 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -69.8 | 153.3 | 172.3 | -74.4 | 15.8 | 0 | 0 | 0 | 111 | N256 Y259 R288 M290 V355 P356 D357 K361 V363 I365 | N256-W359 WeakPolarHBondContact ND2-CZ2 3.4Å; Y259-W359 HydrophobicContact CD2-CB 4.37Å; Y259-W359 AromaticContact CD2-CD1 3.87Å; Y259-W359 AromaticContact CD2-CD2 3.66Å; Y259-W359 HydrophobicContact CD2-CD2 3.66Å; Y259-W359 AromaticContact CD2-CE2 3.82Å; Y259-W359 HydrophobicContact CD2-CE3 4.2Å; Y259-W359 AromaticContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CG 3.72Å; Y259-W359 HydrophobicContact CD2-CZ2 4.49Å; Y259-W359 AromaticContact CD2-NE1 3.92Å; Y259-W359 AromaticContact CE2-CD2 3.71Å; Y259-W359 HydrophobicContact CE2-CD2 3.71Å; Y259-W359 AromaticContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CE3 3.75Å; Y259-W359 HydrophobicContact CE2-CG 4.09Å; Y259-W359 HydrophobicContact CE2-CZ3 4.21Å; R288-W359 HydrophobicContact CB-CH2 3.94Å; R288-W359 HydrophobicContact CG-CH2 4.38Å; M290-W359 HydrophobicContact CE-CH2 4.3Å; M290-W359 HydrophobicContact CE-CZ3 4.29Å; M290-W359 HydrophobicContact CG-CH2 3.85Å; M290-W359 HydrophobicContact SD-CH2 4.49Å; V355-W359 HydrophobicContact CG1-CE3 3.93Å; V355-W359 HydrophobicContact CG1-CZ3 4.43Å; P356-W359 HydrophobicContact CB-CG 4.28Å; P356-W359 HydrophobicContact CG-CD2 4.34Å; P356-W359 HydrophobicContact CG-CG 4.48Å; P356-W359 HydrophobicContact CG-CZ2 4.13Å; P356-W359 WeakPolarHBondContact O-CB 3.39Å; P356-W359 PolarHBondContact O-N 3.18Å; D357-W359 VanDerWaalsContact C-N 3.33Å; W359-K361 PolarHBondContact O-N 3.06Å; W359-V363 HydrophobicContact CE3-CG1 4.24Å; W359-I365 HydrophobicContact CZ3-CD1 4.21Å |
| 360 | P | 90.4 | Very high | 83.9 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | trans | -57.4 | 135.1 | 176 | -23.3 | 33.2 | 0 | 0 | 0 | 111.8 | Y259 D362 V363 | Y259-P360 HydrophobicContact CD1-CG 3.76Å; Y259-P360 HydrophobicContact CE1-CG 3.89Å; Y259-P360 HydrophobicContact CG-CG 4.41Å; P360-D362 PolarHBondContact O-N 3.46Å; P360-D362 VanDerWaalsContact O-N 3.14Å; P360-V363 HydrophobicContact CB-CG2 4.1Å; P360-V363 HydrophobicContact CG-CG2 4.45Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 WeakPolarHBondContact O-CG2 3.26Å; P360-V363 PolarHBondContact O-N 2.9Å; P360-V363 VanDerWaalsContact O-N 3.16Å | ||
| 361 | K | 81.2 | Confident | 83.1 | Confident | 207 Ų | 207 | 81.9 Ų | 81.9 | 90% | 0.9 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.9 | -173.8 | -64.6 | -173.9 | 178.1 | -177.4 | 0 | 114.2 | W359 V363 | W359-K361 PolarHBondContact O-N 3.06Å; K361-V363 PolarHBondContact O-N 3.49Å |
| 362 | D | 70.8 | Confident | 82.2 | Confident | 153 Ų | 153 | 87.2 Ų | 87.2 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.2 | 179.4 | -57 | -48.3 | 0 | 0 | 0 | 114 | P360 K364 | P360-D362 PolarHBondContact O-N 3.46Å; P360-D362 VanDerWaalsContact O-N 3.14Å; D362-K364 PolarHBondContact O-N 2.9Å |
| 363 | V | 65.6 | Low | 81.1 | Confident | 38 Ų | 38 | 84.4 Ų | 84.4 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | trans | -73.3 | 91.9 | -178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | Y259 W359 P360 K361 I365 | Y259-V363 HydrophobicContact CE1-CG2 4.24Å; Y259-V363 HydrophobicContact CE2-CG2 4.27Å; Y259-V363 WeakPolarHBondContact OH-CG2 3.46Å; W359-V363 HydrophobicContact CE3-CG1 4.24Å; P360-V363 HydrophobicContact CB-CG2 4.1Å; P360-V363 HydrophobicContact CG-CG2 4.45Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 WeakPolarHBondContact O-CG2 3.26Å; P360-V363 PolarHBondContact O-N 2.9Å; P360-V363 VanDerWaalsContact O-N 3.16Å; K361-V363 PolarHBondContact O-N 3.49Å; V363-I365 HydrophobicContact CG1-CD1 4.43Å; V363-I365 HydrophobicContact CG1-CG1 4.16Å; V363-I365 PolarHBondContact O-N 2.79Å | ||
| 364 | K | 58.6 | Low | 79.8 | Confident | 182 Ų | 182 | 89.1 Ų | 89.1 | 79% | 0.791 | 46% | 0.459 | S | S | * | . | trans | -64.1 | 94.9 | 172 | -67.3 | -173.8 | -179.5 | -177.7 | 0 | 111.2 | D362 | D362-K364 PolarHBondContact O-N 2.9Š| ||
| 365 | I | 61.1 | Low | 78.5 | Confident | 20 Ų | 20 | 91.5 Ų | 91.5 | 10% | 0.103 | 46% | 0.463 | C | S | . | . | trans | -87.7 | 107.1 | 159.8 | -65 | 168.1 | 0 | 0 | 0 | 105.6 | M290 A335 K336 V355 W359 V363 | M290-I365 HydrophobicContact CE-CD1 3.91Å; A335-I365 HydrophobicContact CB-CG2 3.83Å; K336-I365 WeakPolarHBondContact CE-O 3.38Å; K336-I365 PolarHBondContact NZ-O 3.36Å; V355-I365 HydrophobicContact CB-CD1 4.13Å; V355-I365 HydrophobicContact CG1-CD1 3.58Å; V355-I365 HydrophobicContact CG2-CD1 3.39Å; W359-I365 HydrophobicContact CZ3-CD1 4.21Å; V363-I365 HydrophobicContact CG1-CD1 4.43Å; V363-I365 HydrophobicContact CG1-CG1 4.16Å; V363-I365 PolarHBondContact O-N 2.79Å | ||
| 366 | N | 48 | Very low | 77 | Confident | 151 Ų | 151 | 93.6 Ų | 93.6 | 81% | 0.807 | 47% | 0.467 | S | S | * | . | trans | -72.9 | 0 | -179.6 | -75.5 | -5.2 | 0 | 0 | 0 | 110.4 | K336 | K336-N366 WeakPolarHBondContact CE-OXT 3.34Å; K336-N366 PolarHBondContact NZ-OXT 3Å |
Retrieved 366 of 366 residues in 68.4 ms
(Link to these results)