| 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 | 42.8 | Very low | 40 | Very low | 241 Ų | 241 | 157.3 Ų | 157.3 | 100% | 1.187 | 86% | 0.855 | S | S | * | * | 0 | 136 | 0 | -79.2 | 166.4 | 164 | 0 | 0 | 107.4 | |||||
| 2 | S | 43.7 | Very low | 39.8 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | 61.5 | 79 | -171.3 | 48.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | C | 34.8 | Very low | 39.7 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | trans | -82.1 | 146.4 | 145.3 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | W | 39.8 | Very low | 39.3 | Very low | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -174.5 | 106.6 | 139.6 | -99.4 | 90.4 | 0 | 0 | 0 | 107.9 | ||||
| 5 | P | 42.6 | Very low | 39.2 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -122.1 | 130.3 | 153.1 | 34.1 | -22 | 0 | 0 | 0 | 109 | ||||
| 6 | L | 41.4 | Very low | 38.9 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 83% | 0.831 | S | S | * | * | trans | -174.3 | 114.7 | 159.4 | -102.3 | 135.5 | 0 | 0 | 0 | 110.6 | ||||
| 7 | S | 37.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | 47.7 | 94.6 | 128.9 | -178.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 8 | L | 40.4 | Very low | 38.5 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -156.6 | 23.4 | 165.4 | -110.9 | 169.1 | 0 | 0 | 0 | 116.8 | ||||
| 9 | F | 39.2 | Very low | 38.2 | Very low | 211 Ų | 211 | 151 Ų | 151 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -127.5 | 58.3 | 173 | -95.7 | -87 | 0 | 0 | 0 | 112.1 | ||||
| 10 | A | 37.4 | Very low | 37.9 | Very low | 85 Ų | 85 | 150.4 Ų | 150.4 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | trans | -113.9 | 139.1 | 149 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 11 | I | 40.1 | Very low | 37.8 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | trans | 97.9 | 76 | -168.9 | -50.2 | 157.3 | 0 | 0 | 0 | 112.2 | ||||
| 12 | A | 37.8 | Very low | 37.4 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 62% | 0.62 | 82% | 0.819 | S | S | * | * | trans | -146.4 | 104.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | I | 38.4 | Very low | 36.9 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 80% | 0.795 | 82% | 0.816 | S | S | * | * | trans | 78.3 | 81.3 | 141.6 | -50.7 | 172.3 | 0 | 0 | 0 | 116 | ||||
| 14 | L | 33.9 | Very low | 36.7 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -46.1 | 148.2 | 134.4 | -130.4 | 102.3 | 0 | 0 | 0 | 110.5 | ||||
| 15 | I | 37.9 | Very low | 36.3 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | 108.8 | 88.1 | 174.8 | -54.6 | 155.9 | 0 | 0 | 0 | 112.5 | ||||
| 16 | L | 34.6 | Very low | 35.7 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -162.1 | 71.4 | 138.2 | -122.8 | 107.7 | 0 | 0 | 0 | 109.6 | A18 | L16-A18 PolarHBondContact O-N 3.49Š| ||
| 17 | T | 35.4 | Very low | 35.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -85.8 | 95.7 | 158.8 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 18 | A | 34.7 | Very low | 35 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 116.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L16 C20 | L16-A18 PolarHBondContact O-N 3.49Å; A18-C20 PolarHBondContact O-N 3.46Å | ||
| 19 | K | 33.8 | Very low | 34.7 | Very low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -56.7 | 124.3 | 167.3 | -78 | 168.8 | 168.5 | 170.2 | 0 | 110.3 | ||||
| 20 | C | 32.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -114.7 | 102 | 151.1 | -82.5 | 0 | 0 | 0 | 0 | 107.8 | A18 | A18-C20 PolarHBondContact O-N 3.46Š| ||
| 21 | S | 34 | Very low | 34.1 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -131.1 | 112.6 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 22 | R | 35.3 | Very low | 34 | Very low | 253 Ų | 253 | 143.8 Ų | 143.8 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | trans | 176.8 | 135.2 | 146.4 | -104 | 170.1 | -177.4 | -170.9 | 0.7 | 112.7 | ||||
| 23 | G | 34.3 | Very low | 34.1 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 101.4 | 105.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 24 | G | 30.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | cis | 118 | 85.1 | 20.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 25 | Y | 31.4 | Very low | 34.5 | Very low | 248 Ų | 248 | 142.5 Ų | 142.5 | 97% | 0.973 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 119 | 153.2 | -88.8 | -76.9 | 0 | 0 | 0 | 107.7 | ||||
| 26 | S | 30.2 | Very low | 34.5 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -106.7 | 158.6 | -175.1 | 36.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | S | 31.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | 96.6 | 106.6 | 156.6 | -26.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 28 | F | 32.4 | Very low | 34.9 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | -165.9 | 123 | 94.9 | -113.8 | -84.5 | 0 | 0 | 0 | 112.1 | |||||
| 29 | D | 33.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 51.6 | 130.9 | 156.5 | -90.9 | -65 | 0 | 0 | 0 | 126.2 | ||||
| 30 | Q | 30.6 | Very low | 35 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 154.1 | -179 | -65.6 | 172.1 | -12.2 | 0 | 0 | 110.8 | ||||
| 31 | N | 34.5 | Very low | 35.2 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -155 | 133.8 | 140 | -134.3 | -22.7 | 0 | 0 | 0 | 113.3 | ||||
| 32 | V | 38.5 | Very low | 35.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 82.8 | 96.6 | 155.2 | -160.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 33 | S | 39 | Very low | 34.8 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 14.1 | 138.8 | 131.9 | 53.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 34 | N | 41.3 | Very low | 34.7 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -173.6 | 147.1 | 53.3 | -148 | -1.7 | 0 | 0 | 0 | 109.3 | |||||
| 35 | P | 39.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -110.5 | 150.2 | -176.3 | 37.6 | -27.4 | 0 | 0 | 0 | 114.1 | ||||
| 36 | K | 38.8 | Very low | 34.4 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 167.4 | 108.4 | 145.3 | -98 | 170.5 | -177.2 | -177.6 | 0 | 110.2 | ||||
| 37 | E | 41 | Very low | 34.3 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | 173.9 | 138.2 | 121.1 | -95.3 | -177.2 | 170.6 | 0 | 0 | 110.8 | |||||
| 38 | S | 36.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 148.5 | -173.5 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 39 | I | 35.3 | Very low | 34.5 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | 163.8 | 136.5 | 129.1 | -81 | 155.4 | 0 | 0 | 0 | 108.9 | |||||
| 40 | P | 36 | Very low | 34.8 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -100.8 | 143.7 | -166.1 | 37 | -29.7 | 0 | 0 | 0 | 113.4 | ||||
| 41 | T | 35.9 | Very low | 35.7 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -165.1 | 141.3 | 159.2 | -11.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | L | 32.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 67.4 | 113.2 | 150.8 | -92.2 | 113.5 | 0 | 0 | 0 | 121.6 | ||||
| 43 | L | 29 | Very low | 36.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | 43.9 | 100.9 | 117.5 | -128.5 | 91.8 | 0 | 0 | 0 | 118 | |||||
| 44 | Q | 32.1 | Very low | 37.5 | Very low | 202 Ų | 202 | 131 Ų | 131 | 94% | 0.944 | 73% | 0.731 | S | S | * | * | trans | -161.5 | 117.7 | 140.5 | -115.6 | 163.9 | 4.8 | 0 | 0 | 111.4 | ||||
| 45 | A | 28.2 | Very low | 38.3 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -90.1 | 150.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | T | 27.4 | Very low | 39 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | 65.6 | 81.4 | 156.8 | -17 | 0 | 0 | 0 | 0 | 117 | ||||
| 47 | V | 27.6 | Very low | 39.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -100.4 | 106.4 | 154.1 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | T49 | V47-T49 HydrophobicContact CG1-CG2 4.26Å; V47-T49 PolarHBondContact O-N 3.22Å | ||
| 48 | S | 32.4 | Very low | 40.7 | Very low | 80 Ų | 80 | 114 Ų | 114 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | trans | -68 | 100.1 | 161.6 | -63.1 | 0 | 0 | 0 | 0 | 107.3 | F50 | S48-F50 PolarHBondContact O-N 3.24Š| ||
| 49 | T | 34.2 | Very low | 42 | Very low | 119 Ų | 119 | 110 Ų | 110 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | trans | -67.2 | 101.3 | 173 | 46.3 | 0 | 0 | 0 | 0 | 108.7 | V47 Q51 | V47-T49 HydrophobicContact CG1-CG2 4.26Å; V47-T49 PolarHBondContact O-N 3.22Å; T49-Q51 PolarHBondContact O-N 3.12Å | ||
| 50 | F | 41.1 | Very low | 43.7 | Very low | 138 Ų | 138 | 104.9 Ų | 104.9 | 61% | 0.605 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.4 | 157.7 | -94 | -89.7 | 0 | 0 | 0 | 107.3 | S48 | S48-F50 PolarHBondContact O-N 3.24Š|
| 51 | Q | 48 | Very low | 45.6 | Very low | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 143.8 | 171.1 | -76.5 | -177.8 | -22.7 | 0 | 0 | 109.4 | T49 A53 M65 | T49-Q51 PolarHBondContact O-N 3.12Å; Q51-A53 PolarHBondContact O-N 3.06Å; Q51-M65 PolarHBondContact OE1-SD 3.28Å; Q51-M65 VanDerWaalsContact OE1-SD 3.34Å |
| 52 | P | 46 | Very low | 47.4 | Very low | 110 Ų | 110 | 96.8 Ų | 96.8 | 71% | 0.714 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.4 | 179.6 | 23.9 | -32.8 | 0 | 0 | 0 | 110.1 | L54 | P52-L54 PolarHBondContact O-N 3.04Š|
| 53 | A | 52.1 | Low | 49.5 | Very low | 36 Ų | 36 | 90.8 Ų | 90.8 | 30% | 0.298 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q51 V64 L281 | Q51-A53 PolarHBondContact O-N 3.06Å; A53-V64 HydrophobicContact CB-CG2 4.48Å; A53-L281 HydrophobicContact CB-CD1 4.1Å |
| 54 | L | 53.1 | Low | 51.8 | Low | 129 Ų | 129 | 83.4 Ų | 83.4 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.8 | 178.3 | -71.8 | 160.9 | 0 | 0 | 0 | 107.8 | P52 C63 | P52-L54 PolarHBondContact O-N 3.04Å; L54-C63 PolarHBondContact N-O 2.98Å; L54-C63 PolarHBondContact O-N 3.12Å |
| 55 | V | 56.4 | Low | 53.4 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.9 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 107 | ||
| 56 | S | 54.1 | Low | 55.3 | Low | 43 Ų | 43 | 76.5 Ų | 76.5 | 30% | 0.301 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 143 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | G58 G59 H61 | S56-G58 PolarHBondContact O-N 3.2Å; S56-G59 PolarHBondContact O-N 3.04Å; S56-H61 PolarHBondContact N-O 3.33Å; S56-H61 VanDerWaalsContact N-O 3.16Å |
| 57 | P | 49.9 | Very low | 56.4 | Low | 145 Ų | 145 | 73.7 Ų | 73.7 | 94% | 0.942 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 4.9 | 178.4 | -25.9 | 33.9 | 0 | 0 | 0 | 117.7 | ||
| 58 | G | 66.6 | Low | 57.6 | Low | 51 Ų | 51 | 73.1 Ų | 73.1 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 6.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S56 S60 | S56-G58 PolarHBondContact O-N 3.2Å; G58-S60 PolarHBondContact O-N 3.41Å |
| 59 | G | 63.4 | Low | 57.9 | Low | 17 Ų | 17 | 71.8 Ų | 71.8 | 18% | 0.175 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 70.3 | -11.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S56 H61 Q273 | S56-G59 PolarHBondContact O-N 3.04Å; G59-H61 VanDerWaalsContact C-N 3.28Å; G59-H61 PolarHBondContact O-N 3.42Å; G59-Q273 VanDerWaalsContact C-OE1 3.31Å; G59-Q273 PolarHBondContact O-NE2 3.5Å; G59-Q273 PolarHBondContact O-OE1 3.35Å |
| 60 | S | 72.5 | Confident | 57.8 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 34% | 0.336 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -75.4 | -11.6 | -171.8 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | G58 P84 | G58-S60 PolarHBondContact O-N 3.41Å; S60-P84 VanDerWaalsContact O-CD 3.22Å; S60-P84 WeakPolarHBondContact O-CD 3.34Å |
| 61 | H | 74.3 | Confident | 57.2 | Low | 54 Ų | 54 | 69.2 Ų | 69.2 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | trans | -140.6 | 138.1 | -170.2 | -50.5 | -59.2 | 0 | 0 | 0 | 113.4 | S56 G59 F82 L89 | S56-H61 PolarHBondContact N-O 3.33Å; S56-H61 VanDerWaalsContact N-O 3.16Å; G59-H61 VanDerWaalsContact C-N 3.28Å; G59-H61 PolarHBondContact O-N 3.42Å; H61-F82 VanDerWaalsContact CA-O 3.29Å; H61-F82 WeakPolarHBondContact CA-O 3.43Å; H61-L89 WeakPolarHBondContact CE1-CD1 3.41Å; H61-L89 WeakPolarHBondContact ND1-CD1 3.33Å | ||
| 62 | C | 74.7 | Confident | 56.5 | Low | 14 Ų | 14 | 69.7 Ų | 69.7 | 10% | 0.095 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.9 | 163.6 | -158.1 | 0 | 0 | 0 | 0 | 110.3 | C81 F82 C277 | C62-C81 CarbonylContact O-C 3.53Å; C62-C81 WeakPolarHBondContact O-CA 3.47Å; C62-F82 PolarHBondContact N-O 3.34Å; C62-F82 PolarHBondContact O-N 3.27Å; C62-C277 HydrophobicContact CB-CB 3.7Å; C62-C277 WeakPolarHBondContact CB-SG 3.18Å; C62-C277 WeakPolarHBondContact SG-CB 3.49Å; C62-C277 CovalentContact SG-SG 2.01Å; C62-C277 PolarHBondContact SG-SG 3.08Å |
| 63 | C | 76.8 | Confident | 56.1 | Low | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.155 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.9 | 179.5 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | L54 V79 T80 C81 | L54-C63 PolarHBondContact N-O 2.98Å; L54-C63 PolarHBondContact O-N 3.12Å; C63-V79 HydrophobicContact CB-CG1 3.75Å; C63-T80 WeakPolarHBondContact CA-O 3.41Å; C63-C81 HydrophobicContact CB-CB 4.17Å; C63-C81 WeakPolarHBondContact CB-SG 3.49Å; C63-C81 WeakPolarHBondContact SG-CB 3.38Å; C63-C81 CovalentContact SG-SG 2.05Å; C63-C81 PolarHBondContact SG-SG 2.79Å |
| 64 | V | 77 | Confident | 55.5 | Low | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.042 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.5 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | A53 I66 T80 F82 L281 | A53-V64 HydrophobicContact CB-CG2 4.48Å; V64-I66 HydrophobicContact CG1-CG1 4.32Å; V64-T80 PolarHBondContact N-O 2.89Å; V64-T80 PolarHBondContact O-N 3.4Å; V64-F82 HydrophobicContact CG2-CE2 4.33Å; V64-L281 HydrophobicContact CG1-CD2 3.98Å; V64-L281 HydrophobicContact CG2-CD2 4Å |
| 65 | M | 66.6 | Low | 55.1 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118 | 168.7 | -165.6 | -176.7 | -64.1 | 0 | 0 | 107.9 | Q51 D77 | Q51-M65 PolarHBondContact OE1-SD 3.28Å; Q51-M65 VanDerWaalsContact OE1-SD 3.34Å; M65-D77 HydrophobicContact CG-CB 4.31Å; M65-D77 HydrophobicContact SD-CB 4.13Å |
| 66 | I | 66.8 | Low | 54.6 | Low | 73 Ų | 73 | 76.2 Ų | 76.2 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 98.5 | 175.3 | -55.7 | 175.6 | 0 | 0 | 0 | 106.7 | V64 T68 K78 | V64-I66 HydrophobicContact CG1-CG1 4.32Å; I66-T68 PolarHBondContact O-N 3.47Å; I66-K78 PolarHBondContact N-O 3.36Å |
| 67 | A | 51.5 | Low | 54.6 | Low | 67 Ų | 67 | 79.2 Ų | 79.2 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | trans | -72.4 | 109.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G69 | A67-G69 VanDerWaalsContact C-N 3.3Å; A67-G69 PolarHBondContact O-N 3.1Å | ||
| 68 | T | 51.4 | Low | 54.9 | Low | 116 Ų | 116 | 78.3 Ų | 78.3 | 71% | 0.712 | 50% | 0.501 | S | S | * | . | trans | -78.7 | 81.4 | 171.2 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | I66 | I66-T68 PolarHBondContact O-N 3.47Š| ||
| 69 | G | 38.7 | Very low | 54.5 | Low | 52 Ų | 52 | 79 Ų | 79 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 119.6 | 141.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A67 C71 | A67-G69 VanDerWaalsContact C-N 3.3Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-C71 PolarHBondContact O-N 3.09Å |
| 70 | C | 32.7 | Very low | 54.7 | Low | 105 Ų | 105 | 79.6 Ų | 79.6 | 71% | 0.709 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -73.2 | 20.6 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 71 | C | 29.2 | Very low | 54.7 | Low | 98 Ų | 98 | 78.7 Ų | 78.7 | 66% | 0.662 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -135.5 | 117 | 178 | -71.4 | 0 | 0 | 0 | 0 | 108.7 | G69 Q73 | G69-C71 PolarHBondContact O-N 3.09Å; C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.3Å |
| 72 | P | 33.6 | Very low | 54.7 | Low | 136 Ų | 136 | 77.8 Ų | 77.8 | 88% | 0.883 | 48% | 0.483 | S | S | * | . | trans | -71 | 93.1 | 172.2 | 29.7 | -31.4 | 0 | 0 | 0 | 108.1 | ||||
| 73 | Q | 36 | Very low | 54.7 | Low | 168 Ų | 168 | 77.6 Ų | 77.6 | 79% | 0.785 | 48% | 0.484 | S | S | * | . | trans | -122.2 | 107.7 | 164.3 | -71.1 | -159.6 | -17.3 | 0 | 0 | 108.9 | C71 | C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.3Å | ||
| 74 | S | 40.1 | Very low | 53.8 | Low | 106 Ų | 106 | 80.7 Ų | 80.7 | 74% | 0.741 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 53.3 | 92.5 | 162.2 | 53.1 | 0 | 0 | 0 | 0 | 117.2 | L76 | S74-L76 PolarHBondContact O-N 2.94Š|
| 75 | G | 45.8 | Very low | 53 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 88% | 0.876 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 73.5 | 14.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 76 | L | 45.6 | Very low | 52.4 | Low | 121 Ų | 121 | 82 Ų | 82 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | trans | -115.8 | 22 | -174.4 | -70.8 | 173.6 | 0 | 0 | 0 | 115.5 | S74 K78 | S74-L76 PolarHBondContact O-N 2.94Å; L76-K78 PolarHBondContact O-N 3.34Å | ||
| 77 | D | 53.9 | Low | 51.5 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | trans | -73.6 | 112.6 | 171.2 | -66.3 | -39.7 | 0 | 0 | 0 | 110.1 | M65 | M65-D77 HydrophobicContact CG-CB 4.31Å; M65-D77 HydrophobicContact SD-CB 4.13Å | ||
| 78 | K | 56.6 | Low | 51.1 | Low | 126 Ų | 126 | 84.9 Ų | 84.9 | 55% | 0.548 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.8 | 177.3 | -68.6 | -179.3 | 178.4 | -172.1 | 0 | 109.5 | I66 L76 T91 | I66-K78 PolarHBondContact N-O 3.36Å; L76-K78 PolarHBondContact O-N 3.34Å; K78-T91 HydrophobicContact CB-CG2 3.98Å; K78-T91 HydrophobicContact CD-CG2 4.18Å; K78-T91 HydrophobicContact CG-CG2 4.22Å |
| 79 | V | 57.8 | Low | 50.9 | Low | 64 Ų | 64 | 83.5 Ų | 83.5 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.6 | 167.6 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | C63 | C63-V79 HydrophobicContact CB-CG1 3.75Å |
| 80 | T | 68.2 | Low | 51.1 | Low | 30 Ų | 30 | 89.5 Ų | 89.5 | 18% | 0.184 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116 | 173.7 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | C63 V64 F82 P88 | C63-T80 WeakPolarHBondContact CA-O 3.41Å; V64-T80 PolarHBondContact N-O 2.89Å; V64-T80 PolarHBondContact O-N 3.4Å; T80-F82 HydrophobicContact CG2-CE1 4.11Å; T80-F82 HydrophobicContact CG2-CE2 3.91Å; T80-F82 HydrophobicContact CG2-CZ 3.64Å; T80-P88 HydrophobicContact CG2-CB 4.25Å |
| 81 | C | 71.3 | Confident | 51.4 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 20% | 0.196 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.5 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | C62 C63 P88 L89 | C62-C81 CarbonylContact O-C 3.53Å; C62-C81 WeakPolarHBondContact O-CA 3.47Å; C63-C81 HydrophobicContact CB-CB 4.17Å; C63-C81 WeakPolarHBondContact CB-SG 3.49Å; C63-C81 WeakPolarHBondContact SG-CB 3.38Å; C63-C81 CovalentContact SG-SG 2.05Å; C63-C81 PolarHBondContact SG-SG 2.79Å; C81-P88 WeakPolarHBondContact O-CA 3.43Å; C81-L89 PolarHBondContact O-N 3.37Å |
| 82 | F | 74.7 | Confident | 51.5 | Low | 35 Ų | 35 | 89.8 Ų | 89.8 | 15% | 0.154 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.2 | 176.5 | -59.2 | -84.2 | 0 | 0 | 0 | 109.3 | H61 C62 V64 T80 | H61-F82 VanDerWaalsContact CA-O 3.29Å; H61-F82 WeakPolarHBondContact CA-O 3.43Å; C62-F82 PolarHBondContact N-O 3.34Å; C62-F82 PolarHBondContact O-N 3.27Å; V64-F82 HydrophobicContact CG2-CE2 4.33Å; T80-F82 HydrophobicContact CG2-CE1 4.11Å; T80-F82 HydrophobicContact CG2-CE2 3.91Å; T80-F82 HydrophobicContact CG2-CZ 3.64Å |
| 83 | G | 73.9 | Confident | 51.5 | Low | 11 Ų | 11 | 90.9 Ų | 90.9 | 11% | 0.113 | 54% | 0.538 | C | S | . | . | trans | -76.5 | 177.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G85 G86 I87 | G83-G85 PolarHBondContact O-N 3.23Å; G83-G86 PolarHBondContact O-N 3.04Å; G83-I87 PolarHBondContact N-O 3.28Å; G83-I87 VanDerWaalsContact N-O 3.13Å | ||
| 84 | P | 57.5 | Low | 51.3 | Low | 87 Ų | 87 | 88.8 Ų | 88.8 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.9 | -175.3 | -19.8 | 32.1 | 0 | 0 | 0 | 114.3 | S60 I268 | S60-P84 VanDerWaalsContact O-CD 3.22Å; S60-P84 WeakPolarHBondContact O-CD 3.34Å; P84-I268 HydrophobicContact CB-CD1 4.34Å |
| 85 | G | 61.6 | Low | 50.8 | Low | 64 Ų | 64 | 87.7 Ų | 87.7 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 9.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G83 I87 | G83-G85 PolarHBondContact O-N 3.23Å; G85-I87 PolarHBondContact O-N 3.23Å |
| 86 | G | 54.1 | Low | 50.1 | Low | 43 Ų | 43 | 86.4 Ų | 86.4 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 71.1 | 7.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G83 | G83-G86 PolarHBondContact O-N 3.04Š|
| 87 | I | 47.1 | Very low | 49.2 | Very low | 119 Ų | 119 | 87.5 Ų | 87.5 | 61% | 0.61 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 126.1 | 178.3 | -52.5 | 175.6 | 0 | 0 | 0 | 107.9 | G83 G85 L89 | G83-I87 PolarHBondContact N-O 3.28Å; G83-I87 VanDerWaalsContact N-O 3.13Å; G85-I87 PolarHBondContact O-N 3.23Å; I87-L89 PolarHBondContact O-N 3.18Å |
| 88 | P | 43.9 | Very low | 47.8 | Very low | 81 Ų | 81 | 90.9 Ų | 90.9 | 53% | 0.526 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64 | 118.6 | 172.8 | 25.8 | -31.6 | 0 | 0 | 0 | 108.8 | T80 C81 | T80-P88 HydrophobicContact CG2-CB 4.25Å; C81-P88 WeakPolarHBondContact O-CA 3.43Å |
| 89 | L | 46.4 | Very low | 46.4 | Very low | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 144 | 164.3 | -80.7 | 121.1 | 0 | 0 | 0 | 108.3 | H61 C81 I87 T91 | H61-L89 WeakPolarHBondContact CE1-CD1 3.41Å; H61-L89 WeakPolarHBondContact ND1-CD1 3.33Å; C81-L89 PolarHBondContact O-N 3.37Å; I87-L89 PolarHBondContact O-N 3.18Å; L89-T91 PolarHBondContact O-N 2.77Å |
| 90 | Q | 43.3 | Very low | 44.8 | Very low | 178 Ų | 178 | 91.4 Ų | 91.4 | 83% | 0.832 | 58% | 0.584 | S | S | * | * | trans | -35.4 | 131.8 | -175.2 | -68.3 | -178.3 | -4.5 | 0 | 0 | 113.1 | V92 | Q90-V92 WeakPolarHBondContact O-CG2 3.47Å; Q90-V92 PolarHBondContact O-N 3.15Å | ||
| 91 | T | 38 | Very low | 42.9 | Very low | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | trans | -59.8 | 104.1 | 167.1 | 0.4 | 0 | 0 | 0 | 0 | 108.9 | K78 L89 | K78-T91 HydrophobicContact CB-CG2 3.98Å; K78-T91 HydrophobicContact CD-CG2 4.18Å; K78-T91 HydrophobicContact CG-CG2 4.22Å; L89-T91 PolarHBondContact O-N 2.77Å | ||
| 92 | V | 32.5 | Very low | 40.7 | Very low | 119 Ų | 119 | 99.3 Ų | 99.3 | 72% | 0.721 | 64% | 0.639 | S | S | * | * | trans | -88.5 | 114.6 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | Q90 | Q90-V92 WeakPolarHBondContact O-CG2 3.47Å; Q90-V92 PolarHBondContact O-N 3.15Å | ||
| 93 | Q | 33.9 | Very low | 38.3 | Very low | 160 Ų | 160 | 101.2 Ų | 101.2 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -78.9 | 126.7 | 164.7 | -175.3 | 176 | -34.9 | 0 | 0 | 108.4 | G95 | Q93-G95 PolarHBondContact O-N 2.98Š| ||
| 94 | P | 30.4 | Very low | 36.1 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 117.5 | 172 | -15.6 | 29.3 | 0 | 0 | 0 | 110 | ||
| 95 | G | 30.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 108.6 Ų | 108.6 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.8 | 21.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | Q93 | Q93-G95 PolarHBondContact O-N 2.98Š|
| 96 | G | 30.3 | Very low | 32.7 | Very low | 58 Ų | 58 | 109.4 Ų | 109.4 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | trans | -105.5 | 114.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 97 | T | 26.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 89% | 0.89 | 72% | 0.722 | S | S | * | * | trans | -68.9 | 138.3 | 167.6 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | G99 | T97-G99 PolarHBondContact O-N 3.14Š| ||
| 98 | I | 26.4 | Very low | 30.5 | Very low | 177 Ų | 177 | 118 Ų | 118 | 91% | 0.908 | 73% | 0.728 | S | S | * | * | trans | -66.7 | 101.3 | 177.8 | -56.8 | 173.6 | 0 | 0 | 0 | 109.1 | ||||
| 99 | G | 26.8 | Very low | 29.6 | Very low | 55 Ų | 55 | 119.5 Ų | 119.5 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | trans | -132.1 | 123.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T97 I101 | T97-G99 PolarHBondContact O-N 3.14Å; G99-I101 PolarHBondContact O-N 3.4Å | ||
| 100 | T | 23.7 | Very low | 28.9 | Very low | 146 Ų | 146 | 119 Ų | 119 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -17.8 | 110.2 | 169.7 | -45.8 | 0 | 0 | 0 | 0 | 115.1 | G102 | T100-G102 PolarHBondContact O-N 3.31Š| ||
| 101 | I | 29.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 115.8 Ų | 115.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -86.2 | 89.5 | 174.8 | -56.2 | 175.9 | 0 | 0 | 0 | 108.7 | G99 I104 | G99-I101 PolarHBondContact O-N 3.4Å; I101-I104 HydrophobicContact CG2-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CG1 4.4Å | ||
| 102 | G | 24.4 | Very low | 28.8 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -111.3 | 107.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | T100 | T100-G102 PolarHBondContact O-N 3.31Š| ||
| 103 | G | 23.4 | Very low | 29.5 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 112.9 | 84.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 104 | I | 28.1 | Very low | 30.3 | Very low | 141 Ų | 141 | 110.8 Ų | 110.8 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | -131.1 | 130.7 | 153.4 | -52.3 | 177.7 | 0 | 0 | 0 | 107.1 | I101 | I101-I104 HydrophobicContact CG2-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CG1 4.4Å | ||
| 105 | P | 24.3 | Very low | 31.4 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -71.9 | 145.9 | -172 | -10.3 | 26.4 | 0 | 0 | 0 | 112.5 | I107 | P105-I107 PolarHBondContact O-N 3.48Š| ||
| 106 | A | 23.8 | Very low | 32.9 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | trans | -51.2 | 119.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 107 | I | 26.7 | Very low | 34.4 | Very low | 152 Ų | 152 | 107.9 Ų | 107.9 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -104.1 | 101.7 | 160.4 | -56.3 | 179 | 0 | 0 | 0 | 105.4 | P105 | P105-I107 PolarHBondContact O-N 3.48Š|
| 108 | Y | 27.6 | Very low | 35.8 | Very low | 190 Ų | 190 | 104.3 Ų | 104.3 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | trans | 79.2 | 77.3 | -173.1 | -58.9 | -78.4 | 0 | 0 | 0 | 118.2 | G110 V111 | Y108-G110 PolarHBondContact O-N 2.9Å; Y108-V111 HydrophobicContact CD1-CG2 4.15Å; Y108-V111 HydrophobicContact CG-CG2 4.31Å | ||
| 109 | P | 26 | Very low | 37.7 | Very low | 114 Ų | 114 | 101.3 Ų | 101.3 | 74% | 0.74 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -71.3 | 119.8 | 152.4 | 30.2 | -25.9 | 0 | 0 | 0 | 108.8 | ||
| 110 | G | 30.6 | Very low | 40 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | trans | 107.2 | 15.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | Y108 Q112 | Y108-G110 PolarHBondContact O-N 2.9Å; G110-Q112 PolarHBondContact O-N 2.96Å | ||
| 111 | V | 36.7 | Very low | 42.5 | Very low | 110 Ų | 110 | 99.5 Ų | 99.5 | 67% | 0.667 | 62% | 0.615 | S | S | * | * | trans | -83.3 | 93.3 | 161.8 | -140.8 | 0 | 0 | 0 | 0 | 107.4 | Y108 P113 | Y108-V111 HydrophobicContact CD1-CG2 4.15Å; Y108-V111 HydrophobicContact CG-CG2 4.31Å; V111-P113 VanDerWaalsContact O-CD 3.29Å; V111-P113 WeakPolarHBondContact O-CD 3.09Å; V111-P113 VanDerWaalsContact O-N 3.16Å | ||
| 112 | Q | 42 | Very low | 44.7 | Very low | 140 Ų | 140 | 95 Ų | 95 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.2 | 168.6 | -172.1 | -179.6 | -42.3 | 0 | 0 | 107 | G110 | G110-Q112 PolarHBondContact O-N 2.96Š|
| 113 | P | 47.9 | Very low | 46.7 | Very low | 41 Ų | 41 | 96 Ų | 96 | 27% | 0.266 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 151.3 | 172.1 | -19.9 | 30.6 | 0 | 0 | 0 | 108.9 | V111 T115 V131 | V111-P113 VanDerWaalsContact O-CD 3.29Å; V111-P113 WeakPolarHBondContact O-CD 3.09Å; V111-P113 VanDerWaalsContact O-N 3.16Å; P113-T115 PolarHBondContact O-N 3.48Å; P113-V131 HydrophobicContact CG-CG2 4.36Å |
| 114 | P | 50.6 | Low | 48.8 | Very low | 83 Ų | 83 | 94.9 Ų | 94.9 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -47 | 142.9 | 167.5 | 21.1 | -31.1 | 0 | 0 | 0 | 108.7 | Q116 P117 | P114-Q116 PolarHBondContact O-N 3.24Å; P114-P117 HydrophobicContact CG-CB 4.43Å; P114-P117 WeakPolarHBondContact O-CD 3.05Å |
| 115 | T | 53.8 | Low | 50.7 | Low | 92 Ų | 92 | 88.9 Ų | 88.9 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -51 | -17.3 | -170.8 | 36.2 | 0 | 0 | 0 | 0 | 114.1 | P113 P132 | P113-T115 PolarHBondContact O-N 3.48Å; T115-P132 CarbonylContact O-C 3.6Å |
| 116 | Q | 61.2 | Low | 52.7 | Low | 106 Ų | 106 | 84.1 Ų | 84.1 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -153.4 | 98.8 | 167.5 | -169 | 178.4 | -1.6 | 0 | 0 | 109.4 | P114 S118 | P114-Q116 PolarHBondContact O-N 3.24Å; Q116-S118 PolarHBondContact O-N 3.38Å; Q116-S118 VanDerWaalsContact O-N 3.14Å |
| 117 | P | 62.3 | Low | 54.3 | Low | 4 Ų | 4 | 85.6 Ų | 85.6 | 3% | 0.026 | 50% | 0.503 | C | S | . | . | trans | -68.2 | 115.4 | 171.3 | 28.7 | -30.9 | 0 | 0 | 0 | 108 | P114 F122 I135 T136 Y140 | P114-P117 HydrophobicContact CG-CB 4.43Å; P114-P117 WeakPolarHBondContact O-CD 3.05Å; P117-F122 HydrophobicContact CB-CE1 4.22Å; P117-F122 HydrophobicContact CB-CE2 3.87Å; P117-F122 HydrophobicContact CB-CZ 3.55Å; P117-I135 HydrophobicContact CG-CB 4.49Å; P117-I135 HydrophobicContact CG-CG1 4.18Å; P117-I135 HydrophobicContact CG-CG2 4.28Å; P117-T136 PolarHBondContact O-N 3.01Å; P117-Y140 WeakPolarHBondContact CB-OH 3.5Å; P117-Y140 WeakPolarHBondContact CG-OH 3.1Å | ||
| 118 | S | 56.8 | Low | 55.6 | Low | 70 Ų | 70 | 83.6 Ų | 83.6 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | trans | -106.4 | -19.9 | -173.5 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | Q116 T136 | Q116-S118 PolarHBondContact O-N 3.38Å; Q116-S118 VanDerWaalsContact O-N 3.14Å; S118-T136 CarbonylContact C-O 3.54Å; S118-T136 WeakPolarHBondContact CA-O 3.41Å | ||
| 119 | T | 65.3 | Low | 57.2 | Low | 114 Ų | 114 | 76.3 Ų | 76.3 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -164.5 | 145.5 | 178 | 48 | 0 | 0 | 0 | 0 | 110.2 | ||
| 120 | G | 74.8 | Confident | 58.9 | Low | 38 Ų | 38 | 75 Ų | 75 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 139.1 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G138 V139 | G120-G138 CarbonylContact O-C 3.56Å; G120-G138 WeakPolarHBondContact O-CA 3.5Å; G120-V139 PolarHBondContact O-N 2.86Å |
| 121 | I | 76.7 | Confident | 60.6 | Low | 125 Ų | 125 | 71.5 Ų | 71.5 | 64% | 0.641 | 43% | 0.434 | S | S | * | . | B | Isolated β-bridge | trans | -100.5 | 120.4 | 169.4 | -56.7 | 177.7 | 0 | 0 | 0 | 107.5 | P123 V139 P141 | I121-P123 VanDerWaalsContact O-CD 3.24Å; I121-P123 WeakPolarHBondContact O-CD 3.12Å; I121-V139 WeakPolarHBondContact CA-O 3.34Å; I121-V139 HydrophobicContact CG1-CB 4.27Å; I121-P141 HydrophobicContact CG2-CG 4.39Å |
| 122 | F | 75.4 | Confident | 61.7 | Low | 55 Ų | 55 | 69.9 Ų | 69.9 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -110.9 | 87 | 179.5 | -64 | -85.5 | 0 | 0 | 0 | 109 | P117 G124 G125 V139 Y140 P141 | P117-F122 HydrophobicContact CB-CE1 4.22Å; P117-F122 HydrophobicContact CB-CE2 3.87Å; P117-F122 HydrophobicContact CB-CZ 3.55Å; F122-G124 PolarHBondContact O-N 2.9Å; F122-G124 VanDerWaalsContact O-N 3.13Å; F122-G125 PolarHBondContact O-N 3.42Å; F122-G125 VanDerWaalsContact O-N 3.08Å; F122-V139 PolarHBondContact N-O 2.95Å; F122-Y140 HydrophobicContact CB-CD1 3.63Å; F122-Y140 HydrophobicContact CB-CE1 3.55Å; F122-Y140 HydrophobicContact CB-CG 4.5Å; F122-Y140 HydrophobicContact CD2-CD1 4.16Å; F122-Y140 AromaticContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE1 3.4Å; F122-Y140 VanDerWaalsContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE2 4.13Å; F122-Y140 AromaticContact CD2-CZ 3.37Å; F122-Y140 WeakPolarHBondContact CD2-OH 3.47Å; F122-Y140 HydrophobicContact CE2-CE1 4.24Å; F122-Y140 AromaticContact CE2-CZ 3.88Å; F122-Y140 WeakPolarHBondContact CE2-OH 3.4Å; F122-Y140 HydrophobicContact CG-CD1 4.18Å; F122-Y140 AromaticContact CG-CE1 3.58Å; F122-Y140 HydrophobicContact CG-CE1 3.58Å; F122-P141 WeakPolarHBondContact O-CD 3.21Å | ||
| 123 | P | 65.9 | Low | 63 | Low | 96 Ų | 96 | 64.2 Ų | 64.2 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28 | -171.3 | 23.8 | -33.5 | 0 | 0 | 0 | 112.6 | I121 G125 S142 | I121-P123 VanDerWaalsContact O-CD 3.24Å; I121-P123 WeakPolarHBondContact O-CD 3.12Å; P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.44Å; P123-S142 PolarHBondContact O-OG 3.26Å |
| 124 | G | 67.4 | Low | 64.3 | Low | 51 Ų | 51 | 62.2 Ų | 62.2 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F122 Y127 | F122-G124 PolarHBondContact O-N 2.9Å; F122-G124 VanDerWaalsContact O-N 3.13Å; G124-Y127 WeakPolarHBondContact O-CD2 3.45Å; G124-Y127 WeakPolarHBondContact O-CE2 3.48Å |
| 125 | G | 68.9 | Low | 65.3 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | trans | 60.5 | -178.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F122 P123 G143 | F122-G125 PolarHBondContact O-N 3.42Å; F122-G125 VanDerWaalsContact O-N 3.08Å; P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.44Å; G125-G143 VanDerWaalsContact CA-O 3.24Å; G125-G143 WeakPolarHBondContact CA-O 3.41Å | ||
| 126 | V | 66.9 | Low | 66.4 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 104.5 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | V131 I135 Y140 G143 V144 T145 | V126-V131 HydrophobicContact CG1-CG2 4.16Å; V126-I135 HydrophobicContact CB-CD1 4.27Å; V126-I135 HydrophobicContact CG2-CD1 3.86Å; V126-Y140 HydrophobicContact CG2-CD1 4.1Å; V126-Y140 HydrophobicContact CG2-CE1 3.82Å; V126-G143 PolarHBondContact N-O 3.33Å; V126-G143 VanDerWaalsContact N-O 3.17Å; V126-V144 HydrophobicContact CB-CG1 4.17Å; V126-V144 HydrophobicContact CB-CG2 4.23Å; V126-V144 HydrophobicContact CG2-CG2 4.46Å; V126-V144 CarbonylContact O-C 3.55Å; V126-V144 WeakPolarHBondContact O-CA 3.33Å; V126-T145 PolarHBondContact O-N 2.88Å; V126-T145 VanDerWaalsContact O-O 3.1Å |
| 127 | Y | 57 | Low | 67 | Low | 110 Ų | 110 | 52.3 Ų | 52.3 | 43% | 0.431 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.4 | 178 | -65.8 | -85.5 | 0 | 0 | 0 | 108.1 | G124 S142 T145 | G124-Y127 WeakPolarHBondContact O-CD2 3.45Å; G124-Y127 WeakPolarHBondContact O-CE2 3.48Å; Y127-S142 WeakPolarHBondContact OH-CB 3.33Å; Y127-S142 PolarHBondContact OH-O 2.92Å; Y127-T145 WeakPolarHBondContact CA-O 3.5Å; Y127-T145 HydrophobicContact CD1-CG2 4.42Å; Y127-T145 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T145 WeakPolarHBondContact CE1-OG1 3.34Å |
| 128 | T | 53.9 | Low | 67.9 | Low | 111 Ų | 111 | 53 Ų | 53 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 64.8 | 97.5 | 173.3 | 64.8 | 0 | 0 | 0 | 0 | 115.5 | T145 T146 | T128-T145 PolarHBondContact N-O 3.18Å; T128-T145 VanDerWaalsContact N-O 3.17Å; T128-T146 WeakPolarHBondContact CA-O 3.09Å; T128-T146 WeakPolarHBondContact CG2-OG1 3.24Å; T128-T146 PolarHBondContact N-O 2.93Å |
| 129 | G | 61 | Low | 69 | Low | 37 Ų | 37 | 52 Ų | 52 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | trans | 166.5 | 154.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G147 | G129-G147 VanDerWaalsContact O-CA 3.29Å; G129-G147 WeakPolarHBondContact O-CA 3.34Å | ||
| 130 | T | 62.3 | Low | 69.7 | Low | 86 Ų | 86 | 46.6 Ų | 46.6 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | trans | -79.1 | 122 | 167.2 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | P132 T148 | T130-P132 HydrophobicContact CG2-CG 4.47Å; T130-P132 WeakPolarHBondContact O-CD 3.29Å; T130-T148 VanDerWaalsContact CA-O 3.27Å; T130-T148 WeakPolarHBondContact CA-O 3.29Å; T130-T148 WeakPolarHBondContact CG2-O 2.98Å | ||
| 131 | V | 66.3 | Low | 69.6 | Low | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -101 | 99.2 | 169.8 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | P113 V126 G133 G134 T148 G150 | P113-V131 HydrophobicContact CG-CG2 4.36Å; V126-V131 HydrophobicContact CG1-CG2 4.16Å; V131-G133 PolarHBondContact O-N 3.27Å; V131-G134 WeakPolarHBondContact CG1-O 3.24Å; V131-G134 PolarHBondContact O-N 2.86Å; V131-T148 PolarHBondContact N-O 3.45Å; V131-T148 VanDerWaalsContact N-O 3.15Å; V131-G150 PolarHBondContact O-N 2.9Å |
| 132 | P | 58.7 | Low | 69.7 | Low | 76 Ų | 76 | 42.8 Ų | 42.8 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 91.4 | -178.7 | 2.3 | 16.7 | 0 | 0 | 0 | 108.2 | T115 T130 | T115-P132 CarbonylContact O-C 3.6Å; T130-P132 HydrophobicContact CG2-CG 4.47Å; T130-P132 WeakPolarHBondContact O-CD 3.29Å |
| 133 | G | 70.5 | Confident | 69.5 | Low | 21 Ų | 21 | 40.2 Ų | 40.2 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 142.7 | -7.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | V131 T151 | V131-G133 PolarHBondContact O-N 3.27Å; G133-T151 PolarHBondContact O-OG1 3.3Å |
| 134 | G | 74.2 | Confident | 69.8 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 85.5 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V131 V149 T151 G152 | V131-G134 WeakPolarHBondContact CG1-O 3.24Å; V131-G134 PolarHBondContact O-N 2.86Å; G134-V149 VanDerWaalsContact CA-CG1 3.48Å; G134-T151 WeakPolarHBondContact CA-OG1 3.37Å; G134-T151 PolarHBondContact N-OG1 3.3Å; G134-G152 CarbonylContact C-O 3.43Å; G134-G152 WeakPolarHBondContact CA-O 3.11Å | ||
| 135 | I | 72.5 | Confident | 69.6 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.8 | 168.6 | -62.9 | 171.7 | 0 | 0 | 0 | 106 | P117 V126 Y140 V144 V149 G152 V153 A154 Y158 | P117-I135 HydrophobicContact CG-CB 4.49Å; P117-I135 HydrophobicContact CG-CG1 4.18Å; P117-I135 HydrophobicContact CG-CG2 4.28Å; V126-I135 HydrophobicContact CB-CD1 4.27Å; V126-I135 HydrophobicContact CG2-CD1 3.86Å; I135-Y140 HydrophobicContact CG2-CE1 4.41Å; I135-Y140 HydrophobicContact CG2-CE2 3.57Å; I135-Y140 VanDerWaalsContact CG2-OH 3.27Å; I135-Y140 WeakPolarHBondContact CG2-OH 3.48Å; I135-V144 HydrophobicContact CD1-CB 4.46Å; I135-V144 HydrophobicContact CD1-CG1 3.9Å; I135-V144 HydrophobicContact CD1-CG2 3.69Å; I135-V149 HydrophobicContact CD1-CG2 4.36Å; I135-V149 HydrophobicContact CG1-CG1 4.29Å; I135-G152 PolarHBondContact N-O 3.44Å; I135-V153 HydrophobicContact CB-CG1 4.28Å; I135-V153 HydrophobicContact CB-CG2 4.31Å; I135-V153 HydrophobicContact CD1-CG2 4.27Å; I135-V153 HydrophobicContact CG2-CG1 4.38Å; I135-V153 CarbonylContact O-C 2.99Å; I135-V153 WeakPolarHBondContact O-CA 2.97Å; I135-A154 PolarHBondContact O-N 3.34Å; I135-Y158 VanDerWaalsContact CG2-OH 3.28Å; I135-Y158 WeakPolarHBondContact CG2-OH 3.45Å |
| 136 | T | 76.9 | Confident | 68.8 | Low | 56 Ų | 56 | 37.7 Ų | 37.7 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.7 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | P117 S118 A154 | P117-T136 PolarHBondContact O-N 3.01Å; S118-T136 CarbonylContact C-O 3.54Å; S118-T136 WeakPolarHBondContact CA-O 3.41Å; T136-A154 CarbonylContact C-O 3.57Å; T136-A154 VanDerWaalsContact CA-O 3.27Å; T136-A154 WeakPolarHBondContact CA-O 3.36Å; T136-A154 HydrophobicContact CG2-CB 4.46Å |
| 137 | G | 74.3 | Confident | 68.3 | Low | 17 Ų | 17 | 38.3 Ų | 38.3 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 64.3 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y140 A154 G155 | G137-Y140 WeakPolarHBondContact O-CE2 3.22Å; G137-A154 PolarHBondContact N-O 2.93Å; G137-G155 PolarHBondContact N-O 3.42Å |
| 138 | G | 80.2 | Confident | 68.1 | Low | 18 Ų | 18 | 36 Ų | 36 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | trans | 100.8 | 173.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G120 G156 L157 | G120-G138 CarbonylContact O-C 3.56Å; G120-G138 WeakPolarHBondContact O-CA 3.5Å; G138-G156 CarbonylContact O-C 3.49Å; G138-G156 WeakPolarHBondContact O-CA 3.32Å; G138-L157 PolarHBondContact O-N 2.01Å | ||
| 139 | V | 80.3 | Confident | 68.3 | Low | 50 Ų | 50 | 31.1 Ų | 31.1 | 30% | 0.303 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -115.5 | 122.4 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 108 | G120 I121 F122 P141 L157 | G120-V139 PolarHBondContact O-N 2.86Å; I121-V139 WeakPolarHBondContact CA-O 3.34Å; I121-V139 HydrophobicContact CG1-CB 4.27Å; F122-V139 PolarHBondContact N-O 2.95Å; V139-P141 HydrophobicContact CG1-CG 4.36Å; V139-P141 WeakPolarHBondContact O-CD 3.42Å; V139-L157 HydrophobicContact CG1-CB 4.44Å; V139-L157 HydrophobicContact CG1-CD2 4.4Å; V139-L157 HydrophobicContact CG2-CB 4.37Å |
| 140 | Y | 79.9 | Confident | 67.8 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -118.6 | 84.9 | -179.8 | -64.4 | -94.3 | 0 | 0 | 0 | 108 | P117 F122 V126 I135 G137 S142 G143 V144 L157 Y158 P159 | P117-Y140 WeakPolarHBondContact CB-OH 3.5Å; P117-Y140 WeakPolarHBondContact CG-OH 3.1Å; F122-Y140 HydrophobicContact CB-CD1 3.63Å; F122-Y140 HydrophobicContact CB-CE1 3.55Å; F122-Y140 HydrophobicContact CB-CG 4.5Å; F122-Y140 HydrophobicContact CD2-CD1 4.16Å; F122-Y140 AromaticContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE1 3.4Å; F122-Y140 VanDerWaalsContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE2 4.13Å; F122-Y140 AromaticContact CD2-CZ 3.37Å; F122-Y140 WeakPolarHBondContact CD2-OH 3.47Å; F122-Y140 HydrophobicContact CE2-CE1 4.24Å; F122-Y140 AromaticContact CE2-CZ 3.88Å; F122-Y140 WeakPolarHBondContact CE2-OH 3.4Å; F122-Y140 HydrophobicContact CG-CD1 4.18Å; F122-Y140 AromaticContact CG-CE1 3.58Å; F122-Y140 HydrophobicContact CG-CE1 3.58Å; V126-Y140 HydrophobicContact CG2-CD1 4.1Å; V126-Y140 HydrophobicContact CG2-CE1 3.82Å; I135-Y140 HydrophobicContact CG2-CE1 4.41Å; I135-Y140 HydrophobicContact CG2-CE2 3.57Å; I135-Y140 VanDerWaalsContact CG2-OH 3.27Å; I135-Y140 WeakPolarHBondContact CG2-OH 3.48Å; G137-Y140 WeakPolarHBondContact O-CE2 3.22Å; Y140-S142 PolarHBondContact O-N 3.36Å; Y140-S142 VanDerWaalsContact O-N 3.1Å; Y140-G143 PolarHBondContact O-N 3.05Å; Y140-V144 HydrophobicContact CD1-CG2 4.45Å; Y140-V144 HydrophobicContact CG-CG2 4.41Å; Y140-L157 PolarHBondContact N-O 2.97Å; Y140-Y158 AromaticContact CD2-CD1 3.89Å; Y140-Y158 HydrophobicContact CD2-CD1 3.89Å; Y140-Y158 AromaticContact CD2-CE1 3.14Å; Y140-Y158 HydrophobicContact CD2-CE1 3.14Å; Y140-Y158 AromaticContact CD2-CZ 3.59Å; Y140-Y158 AromaticContact CE2-CE1 3.83Å; Y140-Y158 HydrophobicContact CE2-CE1 3.83Å; Y140-Y158 AromaticContact CE2-CZ 3.96Å; Y140-Y158 WeakPolarHBondContact CE2-OH 3.22Å; Y140-Y158 HydrophobicContact CG-CD1 4.07Å; Y140-Y158 AromaticContact CG-CE1 3.63Å; Y140-Y158 HydrophobicContact CG-CE1 3.63Å; Y140-P159 VanDerWaalsContact O-CD 3.23Å; Y140-P159 WeakPolarHBondContact O-CD 3.23Å | ||
| 141 | P | 73.3 | Confident | 67.9 | Low | 50 Ų | 50 | 32 Ų | 32 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.7 | -171.8 | -23.5 | 34.7 | 0 | 0 | 0 | 112.6 | I121 F122 V139 V160 | I121-P141 HydrophobicContact CG2-CG 4.39Å; F122-P141 WeakPolarHBondContact O-CD 3.21Å; V139-P141 HydrophobicContact CG1-CG 4.36Å; V139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-V160 VanDerWaalsContact O-CG2 3.23Å; P141-V160 WeakPolarHBondContact O-CG2 3.47Å |
| 142 | S | 77.7 | Confident | 68 | Low | 33 Ų | 33 | 32 Ų | 32 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.2 | -176 | -47 | 0 | 0 | 0 | 0 | 112 | P123 Y127 Y140 | P123-S142 PolarHBondContact O-OG 3.26Å; Y127-S142 WeakPolarHBondContact OH-CB 3.33Å; Y127-S142 PolarHBondContact OH-O 2.92Å; Y140-S142 PolarHBondContact O-N 3.36Å; Y140-S142 VanDerWaalsContact O-N 3.1Å |
| 143 | G | 72.5 | Confident | 68.6 | Low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 82.3 | -176.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G125 V126 Y140 G161 | G125-G143 VanDerWaalsContact CA-O 3.24Å; G125-G143 WeakPolarHBondContact CA-O 3.41Å; V126-G143 PolarHBondContact N-O 3.33Å; V126-G143 VanDerWaalsContact N-O 3.17Å; Y140-G143 PolarHBondContact O-N 3.05Å; G143-G161 WeakPolarHBondContact CA-O 3.39Å | ||
| 144 | V | 70.3 | Confident | 68.6 | Low | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.8 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 107 | V126 I135 Y140 Y158 G161 V162 S163 | V126-V144 HydrophobicContact CB-CG1 4.17Å; V126-V144 HydrophobicContact CB-CG2 4.23Å; V126-V144 HydrophobicContact CG2-CG2 4.46Å; V126-V144 CarbonylContact O-C 3.55Å; V126-V144 WeakPolarHBondContact O-CA 3.33Å; I135-V144 HydrophobicContact CD1-CB 4.46Å; I135-V144 HydrophobicContact CD1-CG1 3.9Å; I135-V144 HydrophobicContact CD1-CG2 3.69Å; Y140-V144 HydrophobicContact CD1-CG2 4.45Å; Y140-V144 HydrophobicContact CG-CG2 4.41Å; V144-Y158 HydrophobicContact CG2-CD1 3.82Å; V144-Y158 HydrophobicContact CG2-CE1 3.55Å; V144-G161 PolarHBondContact N-O 3.35Å; V144-V162 HydrophobicContact CB-CG1 4.34Å; V144-V162 HydrophobicContact CB-CG2 4.29Å; V144-S163 PolarHBondContact O-N 3.03Å |
| 145 | T | 64.5 | Low | 68.3 | Low | 40 Ų | 40 | 30.1 Ų | 30.1 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.2 | -174.8 | -38.4 | 0 | 0 | 0 | 0 | 108.9 | V126 Y127 T128 S163 | V126-T145 PolarHBondContact O-N 2.88Å; V126-T145 VanDerWaalsContact O-O 3.1Å; Y127-T145 WeakPolarHBondContact CA-O 3.5Å; Y127-T145 HydrophobicContact CD1-CG2 4.42Å; Y127-T145 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T145 WeakPolarHBondContact CE1-OG1 3.34Å; T128-T145 PolarHBondContact N-O 3.18Å; T128-T145 VanDerWaalsContact N-O 3.17Å; T145-S163 WeakPolarHBondContact CA-OG 3.23Å; T145-S163 VanDerWaalsContact CG2-OG 3.32Å; T145-S163 WeakPolarHBondContact CG2-OG 3.34Å |
| 146 | T | 52.3 | Low | 68.5 | Low | 65 Ų | 65 | 31.2 Ų | 31.2 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 53.9 | 97.6 | 168.3 | 43.8 | 0 | 0 | 0 | 0 | 115.3 | T128 | T128-T146 WeakPolarHBondContact CA-O 3.09Å; T128-T146 WeakPolarHBondContact CG2-OG1 3.24Å; T128-T146 PolarHBondContact N-O 2.93Å |
| 147 | G | 55.9 | Low | 68.6 | Low | 26 Ų | 26 | 31.9 Ų | 31.9 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 174.8 | 151.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G129 V149 | G129-G147 VanDerWaalsContact O-CA 3.29Å; G129-G147 WeakPolarHBondContact O-CA 3.34Å; G147-V149 PolarHBondContact O-N 3.32Å; G147-V149 VanDerWaalsContact O-N 3.08Å |
| 148 | T | 52.6 | Low | 68.8 | Low | 62 Ų | 62 | 31 Ų | 31 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | trans | -76.1 | 95.4 | 174.2 | -49 | 0 | 0 | 0 | 0 | 108.7 | T130 V131 G150 I187 | T130-T148 VanDerWaalsContact CA-O 3.27Å; T130-T148 WeakPolarHBondContact CA-O 3.29Å; T130-T148 WeakPolarHBondContact CG2-O 2.98Å; V131-T148 PolarHBondContact N-O 3.45Å; V131-T148 VanDerWaalsContact N-O 3.15Å; T148-G150 PolarHBondContact O-N 3.01Å; T148-I187 HydrophobicContact CG2-CD1 3.56Å; T148-I187 HydrophobicContact CG2-CG1 4.25Å | ||
| 149 | V | 58.8 | Low | 68.4 | Low | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 103.6 | 173 | -177 | 0 | 0 | 0 | 0 | 107.5 | G134 I135 G147 T151 G152 V153 T166 | G134-V149 VanDerWaalsContact CA-CG1 3.48Å; I135-V149 HydrophobicContact CD1-CG2 4.36Å; I135-V149 HydrophobicContact CG1-CG1 4.29Å; G147-V149 PolarHBondContact O-N 3.32Å; G147-V149 VanDerWaalsContact O-N 3.08Å; V149-T151 PolarHBondContact O-N 3.02Å; V149-G152 WeakPolarHBondContact CG1-O 3.09Å; V149-G152 PolarHBondContact O-N 3.02Å; V149-G152 VanDerWaalsContact O-N 3.17Å; V149-V153 HydrophobicContact CG1-CG2 4.47Å; V149-T166 HydrophobicContact CB-CG2 3.47Å; V149-T166 VanDerWaalsContact CB-CG2 3.47Å; V149-T166 HydrophobicContact CG2-CG2 3.43Å; V149-T166 VanDerWaalsContact CG2-CG2 3.43Å |
| 150 | G | 49.9 | Very low | 68.1 | Low | 42 Ų | 42 | 34.4 Ų | 34.4 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V131 T148 | V131-G150 PolarHBondContact O-N 2.9Å; T148-G150 PolarHBondContact O-N 3.01Å |
| 151 | T | 63.4 | Low | 67.7 | Low | 100 Ų | 100 | 34.8 Ų | 34.8 | 61% | 0.613 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | 13.1 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | G133 G134 V149 | G133-T151 PolarHBondContact O-OG1 3.3Å; G134-T151 WeakPolarHBondContact CA-OG1 3.37Å; G134-T151 PolarHBondContact N-OG1 3.3Å; V149-T151 PolarHBondContact O-N 3.02Å |
| 152 | G | 69.5 | Low | 67.6 | Low | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | 86 | -178 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G134 I135 V149 S167 | G134-G152 CarbonylContact C-O 3.43Å; G134-G152 WeakPolarHBondContact CA-O 3.11Å; I135-G152 PolarHBondContact N-O 3.44Å; V149-G152 WeakPolarHBondContact CG1-O 3.09Å; V149-G152 PolarHBondContact O-N 3.02Å; V149-G152 VanDerWaalsContact O-N 3.17Å; G152-S167 CarbonylContact C-O 3.59Å; G152-S167 WeakPolarHBondContact CA-O 3.28Å | ||
| 153 | V | 70.7 | Confident | 67 | Low | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.2 | 178.3 | -177 | 0 | 0 | 0 | 0 | 108.1 | I135 V149 Y158 V162 T166 S167 V168 T169 | I135-V153 HydrophobicContact CB-CG1 4.28Å; I135-V153 HydrophobicContact CB-CG2 4.31Å; I135-V153 HydrophobicContact CD1-CG2 4.27Å; I135-V153 HydrophobicContact CG2-CG1 4.38Å; I135-V153 CarbonylContact O-C 2.99Å; I135-V153 WeakPolarHBondContact O-CA 2.97Å; V149-V153 HydrophobicContact CG1-CG2 4.47Å; V153-Y158 HydrophobicContact CG1-CE1 3.94Å; V153-Y158 HydrophobicContact CG1-CE2 3.74Å; V153-Y158 WeakPolarHBondContact CG1-OH 3.38Å; V153-V162 HydrophobicContact CG2-CG1 4.36Å; V153-T166 HydrophobicContact CG2-CG2 4.4Å; V153-S167 PolarHBondContact N-O 3.36Å; V153-V168 CarbonylContact O-C 3.54Å; V153-V168 WeakPolarHBondContact O-CA 3.44Å; V153-T169 PolarHBondContact O-N 2.75Å |
| 154 | A | 71.7 | Confident | 66.4 | Low | 36 Ų | 36 | 35.3 Ų | 35.3 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I135 T136 G137 T169 | I135-A154 PolarHBondContact O-N 3.34Å; T136-A154 CarbonylContact C-O 3.57Å; T136-A154 VanDerWaalsContact CA-O 3.27Å; T136-A154 WeakPolarHBondContact CA-O 3.36Å; T136-A154 HydrophobicContact CG2-CB 4.46Å; G137-A154 PolarHBondContact N-O 2.93Å; A154-T169 CarbonylContact C-O 3.56Å; A154-T169 WeakPolarHBondContact CA-O 3.47Å |
| 155 | G | 66.4 | Low | 65.9 | Low | 20 Ų | 20 | 36.3 Ų | 36.3 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 67.4 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G137 Y158 T169 G170 | G137-G155 PolarHBondContact N-O 3.42Å; G155-Y158 WeakPolarHBondContact O-CE2 3.06Å; G155-Y158 PolarHBondContact O-OH 2.97Å; G155-Y158 VanDerWaalsContact O-OH 3.13Å; G155-T169 PolarHBondContact N-O 3.41Å; G155-G170 WeakPolarHBondContact CA-O 3.13Å; G155-G170 PolarHBondContact N-O 2.99Å |
| 156 | G | 77.7 | Confident | 65.7 | Low | 23 Ų | 23 | 35 Ų | 35 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | trans | 117.6 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G138 G171 V172 | G138-G156 CarbonylContact O-C 3.49Å; G138-G156 WeakPolarHBondContact O-CA 3.32Å; G156-G171 WeakPolarHBondContact O-CA 3.44Å; G156-V172 PolarHBondContact O-N 2.87Å | ||
| 157 | L | 78 | Confident | 66.5 | Low | 69 Ų | 69 | 33.2 Ų | 33.2 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -115.2 | 120.6 | 177.3 | -177.1 | 68.7 | 0 | 0 | 0 | 109.7 | G138 V139 Y140 P159 V172 P174 | G138-L157 PolarHBondContact O-N 2.01Å; V139-L157 HydrophobicContact CG1-CB 4.44Å; V139-L157 HydrophobicContact CG1-CD2 4.4Å; V139-L157 HydrophobicContact CG2-CB 4.37Å; Y140-L157 PolarHBondContact N-O 2.97Å; L157-P159 HydrophobicContact CG-CG 4.43Å; L157-V172 HydrophobicContact CD1-CB 3.73Å; L157-V172 HydrophobicContact CD1-CG1 3.8Å; L157-P174 HydrophobicContact CD1-CG 4.37Å |
| 158 | Y | 79.1 | Confident | 66.9 | Low | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -125.9 | 81.1 | -174.8 | -59.4 | -91.6 | 0 | 0 | 0 | 110.3 | I135 Y140 V144 V153 G155 V160 G161 V162 V172 Y173 P174 | I135-Y158 VanDerWaalsContact CG2-OH 3.28Å; I135-Y158 WeakPolarHBondContact CG2-OH 3.45Å; Y140-Y158 AromaticContact CD2-CD1 3.89Å; Y140-Y158 HydrophobicContact CD2-CD1 3.89Å; Y140-Y158 AromaticContact CD2-CE1 3.14Å; Y140-Y158 HydrophobicContact CD2-CE1 3.14Å; Y140-Y158 AromaticContact CD2-CZ 3.59Å; Y140-Y158 AromaticContact CE2-CE1 3.83Å; Y140-Y158 HydrophobicContact CE2-CE1 3.83Å; Y140-Y158 AromaticContact CE2-CZ 3.96Å; Y140-Y158 WeakPolarHBondContact CE2-OH 3.22Å; Y140-Y158 HydrophobicContact CG-CD1 4.07Å; Y140-Y158 AromaticContact CG-CE1 3.63Å; Y140-Y158 HydrophobicContact CG-CE1 3.63Å; V144-Y158 HydrophobicContact CG2-CD1 3.82Å; V144-Y158 HydrophobicContact CG2-CE1 3.55Å; V153-Y158 HydrophobicContact CG1-CE1 3.94Å; V153-Y158 HydrophobicContact CG1-CE2 3.74Å; V153-Y158 WeakPolarHBondContact CG1-OH 3.38Å; G155-Y158 WeakPolarHBondContact O-CE2 3.06Å; G155-Y158 PolarHBondContact O-OH 2.97Å; G155-Y158 VanDerWaalsContact O-OH 3.13Å; Y158-V160 VanDerWaalsContact C-N 3.27Å; Y158-V160 PolarHBondContact O-N 3.36Å; Y158-G161 PolarHBondContact O-N 2.91Å; Y158-V162 HydrophobicContact CD1-CG2 3.94Å; Y158-V162 HydrophobicContact CG-CG2 3.96Å; Y158-V172 PolarHBondContact N-O 3.33Å; Y158-Y173 AromaticContact CD2-CD1 3.68Å; Y158-Y173 HydrophobicContact CD2-CD1 3.68Å; Y158-Y173 AromaticContact CD2-CE1 3.11Å; Y158-Y173 HydrophobicContact CD2-CE1 3.11Å; Y158-Y173 AromaticContact CD2-CZ 3.73Å; Y158-Y173 AromaticContact CE2-CE1 3.7Å; Y158-Y173 HydrophobicContact CE2-CE1 3.7Å; Y158-Y173 AromaticContact CE2-CZ 3.98Å; Y158-Y173 AromaticContact CG-CD1 3.94Å; Y158-Y173 HydrophobicContact CG-CD1 3.94Å; Y158-Y173 AromaticContact CG-CE1 3.67Å; Y158-Y173 HydrophobicContact CG-CE1 3.67Å; Y158-P174 WeakPolarHBondContact O-CD 3.01Å | ||
| 159 | P | 72.2 | Confident | 67.7 | Low | 49 Ų | 49 | 32.9 Ų | 32.9 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -37.6 | -171.2 | -25.3 | 36.3 | 0 | 0 | 0 | 113.9 | Y140 L157 G161 G175 | Y140-P159 VanDerWaalsContact O-CD 3.23Å; Y140-P159 WeakPolarHBondContact O-CD 3.23Å; L157-P159 HydrophobicContact CG-CG 4.43Å; P159-G161 VanDerWaalsContact C-N 3.35Å; P159-G175 WeakPolarHBondContact O-CA 3.33Å; P159-G175 PolarHBondContact O-N 2.87Å |
| 160 | V | 74.4 | Confident | 68 | Low | 90 Ų | 90 | 33.5 Ų | 33.5 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.1 | -178 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | P141 Y158 | P141-V160 VanDerWaalsContact O-CG2 3.23Å; P141-V160 WeakPolarHBondContact O-CG2 3.47Å; Y158-V160 VanDerWaalsContact C-N 3.27Å; Y158-V160 PolarHBondContact O-N 3.36Å |
| 161 | G | 71.8 | Confident | 69.2 | Low | 7 Ų | 7 | 32.3 Ų | 32.3 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | 92.7 | -179.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | G143 V144 Y158 P159 G176 | G143-G161 WeakPolarHBondContact CA-O 3.39Å; V144-G161 PolarHBondContact N-O 3.35Å; Y158-G161 PolarHBondContact O-N 2.91Å; P159-G161 VanDerWaalsContact C-N 3.35Å; G161-G176 WeakPolarHBondContact CA-O 3.27Å | ||
| 162 | V | 71.1 | Confident | 69.8 | Low | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.3 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | V144 V153 Y158 T166 V168 Y173 G176 S178 | V144-V162 HydrophobicContact CB-CG1 4.34Å; V144-V162 HydrophobicContact CB-CG2 4.29Å; V153-V162 HydrophobicContact CG2-CG1 4.36Å; Y158-V162 HydrophobicContact CD1-CG2 3.94Å; Y158-V162 HydrophobicContact CG-CG2 3.96Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.27Å; V162-V168 HydrophobicContact CG1-CG2 4.3Å; V162-Y173 HydrophobicContact CG2-CD1 3.76Å; V162-Y173 HydrophobicContact CG2-CE1 3.53Å; V162-G176 PolarHBondContact N-O 2.81Å; V162-S178 PolarHBondContact O-N 3.47Å |
| 163 | S | 65.1 | Low | 70.3 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.4 | -179.5 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | V144 T145 S178 | V144-S163 PolarHBondContact O-N 3.03Å; T145-S163 WeakPolarHBondContact CA-OG 3.23Å; T145-S163 VanDerWaalsContact CG2-OG 3.32Å; T145-S163 WeakPolarHBondContact CG2-OG 3.34Å; S163-S178 WeakPolarHBondContact CA-O 3.39Å |
| 164 | T | 58.2 | Low | 70.3 | Confident | 57 Ų | 57 | 32.4 Ų | 32.4 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 58.8 | 130.5 | 164.4 | 58.3 | 0 | 0 | 0 | 0 | 118.9 | S178 | T164-S178 PolarHBondContact N-O 2.99Š|
| 165 | G | 60.8 | Low | 70.4 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 84.9 | 9.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 166 | T | 61 | Low | 70.7 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | trans | -125.8 | 135.1 | -173.2 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | V149 V153 V162 | V149-T166 HydrophobicContact CB-CG2 3.47Å; V149-T166 VanDerWaalsContact CB-CG2 3.47Å; V149-T166 HydrophobicContact CG2-CG2 3.43Å; V149-T166 VanDerWaalsContact CG2-CG2 3.43Å; V153-T166 HydrophobicContact CG2-CG2 4.4Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.27Å | ||
| 167 | S | 67.3 | Low | 70.3 | Confident | 27 Ų | 27 | 31.1 Ų | 31.1 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | trans | -68.4 | 132.5 | 161.3 | -62.1 | 0 | 0 | 0 | 0 | 108.1 | G152 V153 G190 T191 | G152-S167 CarbonylContact C-O 3.59Å; G152-S167 WeakPolarHBondContact CA-O 3.28Å; V153-S167 PolarHBondContact N-O 3.36Å; S167-G190 VanDerWaalsContact OG-C 3.29Å; S167-G190 WeakPolarHBondContact OG-CA 3.38Å; S167-T191 PolarHBondContact OG-N 3.49Å | ||
| 168 | V | 64.8 | Low | 69.6 | Low | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | V153 V162 Y173 V177 V193 A194 | V153-V168 CarbonylContact O-C 3.54Å; V153-V168 WeakPolarHBondContact O-CA 3.44Å; V162-V168 HydrophobicContact CG1-CG2 4.3Å; V168-Y173 HydrophobicContact CG1-CE1 3.88Å; V168-Y173 HydrophobicContact CG1-CE2 3.63Å; V168-Y173 WeakPolarHBondContact CG1-OH 3.46Å; V168-V177 HydrophobicContact CG1-CG2 4.49Å; V168-V177 HydrophobicContact CG2-CG1 4.04Å; V168-V193 WeakPolarHBondContact O-CA 3.48Å; V168-A194 PolarHBondContact O-N 3.38Å |
| 169 | T | 69.3 | Low | 68.6 | Low | 79 Ų | 79 | 31.7 Ų | 31.7 | 49% | 0.485 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 107 | -176.9 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | V153 A154 G155 A194 | V153-T169 PolarHBondContact O-N 2.75Å; A154-T169 CarbonylContact C-O 3.56Å; A154-T169 WeakPolarHBondContact CA-O 3.47Å; G155-T169 PolarHBondContact N-O 3.41Å; T169-A194 CarbonylContact C-O 3.49Å; T169-A194 WeakPolarHBondContact CA-O 3.45Å |
| 170 | G | 65.4 | Low | 67.3 | Low | 21 Ų | 21 | 30.4 Ų | 30.4 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 71.6 | 155.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G155 Y173 A194 G195 | G155-G170 WeakPolarHBondContact CA-O 3.13Å; G155-G170 PolarHBondContact N-O 2.99Å; G170-Y173 WeakPolarHBondContact O-CE2 3.29Å; G170-Y173 PolarHBondContact O-OH 2.87Å; G170-A194 PolarHBondContact N-O 3.21Å; G170-G195 WeakPolarHBondContact CA-O 3.44Å; G170-G195 PolarHBondContact N-O 2.78Å |
| 171 | G | 75.3 | Confident | 65.3 | Low | 18 Ų | 18 | 31.3 Ų | 31.3 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | trans | 124.6 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G156 G196 V197 | G156-G171 WeakPolarHBondContact O-CA 3.44Å; G171-G196 CarbonylContact O-C 3.35Å; G171-G196 WeakPolarHBondContact O-CA 3.13Å; G171-V197 PolarHBondContact O-N 3.44Å | ||
| 172 | V | 76.7 | Confident | 63.2 | Low | 58 Ų | 58 | 34.6 Ų | 34.6 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -120.7 | 121.3 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | G156 L157 Y158 P174 V197 | G156-V172 PolarHBondContact O-N 2.87Å; L157-V172 HydrophobicContact CD1-CB 3.73Å; L157-V172 HydrophobicContact CD1-CG1 3.8Å; Y158-V172 PolarHBondContact N-O 3.33Å; V172-P174 HydrophobicContact CG1-CG 4.35Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å; V172-V197 HydrophobicContact CG1-CB 4.44Å; V172-V197 HydrophobicContact CG2-CB 4.44Å |
| 173 | Y | 78.4 | Confident | 61 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -125.1 | 75 | -171.9 | -58 | -88 | 0 | 0 | 0 | 110.5 | Y158 V162 V168 G170 G175 G176 V177 V197 Y198 P199 | Y158-Y173 AromaticContact CD2-CD1 3.68Å; Y158-Y173 HydrophobicContact CD2-CD1 3.68Å; Y158-Y173 AromaticContact CD2-CE1 3.11Å; Y158-Y173 HydrophobicContact CD2-CE1 3.11Å; Y158-Y173 AromaticContact CD2-CZ 3.73Å; Y158-Y173 AromaticContact CE2-CE1 3.7Å; Y158-Y173 HydrophobicContact CE2-CE1 3.7Å; Y158-Y173 AromaticContact CE2-CZ 3.98Å; Y158-Y173 AromaticContact CG-CD1 3.94Å; Y158-Y173 HydrophobicContact CG-CD1 3.94Å; Y158-Y173 AromaticContact CG-CE1 3.67Å; Y158-Y173 HydrophobicContact CG-CE1 3.67Å; V162-Y173 HydrophobicContact CG2-CD1 3.76Å; V162-Y173 HydrophobicContact CG2-CE1 3.53Å; V168-Y173 HydrophobicContact CG1-CE1 3.88Å; V168-Y173 HydrophobicContact CG1-CE2 3.63Å; V168-Y173 WeakPolarHBondContact CG1-OH 3.46Å; G170-Y173 WeakPolarHBondContact O-CE2 3.29Å; G170-Y173 PolarHBondContact O-OH 2.87Å; Y173-G175 VanDerWaalsContact C-N 3.26Å; Y173-G175 PolarHBondContact O-N 2.77Å; Y173-G176 PolarHBondContact O-N 3.16Å; Y173-V177 HydrophobicContact CD1-CG2 3.83Å; Y173-V177 HydrophobicContact CD2-CG2 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 4.43Å; Y173-V177 HydrophobicContact CG-CG2 3.77Å; Y173-V197 PolarHBondContact N-O 3.2Å; Y173-Y198 AromaticContact CD2-CD1 3.66Å; Y173-Y198 HydrophobicContact CD2-CD1 3.66Å; Y173-Y198 AromaticContact CD2-CE1 3.14Å; Y173-Y198 HydrophobicContact CD2-CE1 3.14Å; Y173-Y198 AromaticContact CD2-CZ 3.88Å; Y173-Y198 AromaticContact CE2-CE1 3.74Å; Y173-Y198 HydrophobicContact CE2-CE1 3.74Å; Y173-Y198 AromaticContact CG-CD1 3.97Å; Y173-Y198 HydrophobicContact CG-CD1 3.97Å; Y173-Y198 AromaticContact CG-CE1 3.79Å; Y173-Y198 HydrophobicContact CG-CE1 3.79Å; Y173-P199 WeakPolarHBondContact O-CD 3.49Å | ||
| 174 | P | 72.7 | Confident | 58.9 | Low | 47 Ų | 47 | 42.6 Ų | 42.6 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.5 | -178.7 | -24.4 | 33.5 | 0 | 0 | 0 | 113.3 | L157 Y158 V172 G176 G200 | L157-P174 HydrophobicContact CD1-CG 4.37Å; Y158-P174 WeakPolarHBondContact O-CD 3.01Å; V172-P174 HydrophobicContact CG1-CG 4.35Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-G176 PolarHBondContact O-N 3.41Å; P174-G200 WeakPolarHBondContact O-CA 3.07Å; P174-G200 PolarHBondContact O-N 2.97Å; P174-G200 VanDerWaalsContact O-N 3.12Å |
| 175 | G | 71.9 | Confident | 57.2 | Low | 46 Ų | 46 | 46.2 Ų | 46.2 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P159 Y173 | P159-G175 WeakPolarHBondContact O-CA 3.33Å; P159-G175 PolarHBondContact O-N 2.87Å; Y173-G175 VanDerWaalsContact C-N 3.26Å; Y173-G175 PolarHBondContact O-N 2.77Å |
| 176 | G | 73.1 | Confident | 55.3 | Low | 5 Ų | 5 | 48.7 Ų | 48.7 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | trans | 83 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G161 V162 Y173 P174 G201 | G161-G176 WeakPolarHBondContact CA-O 3.27Å; V162-G176 PolarHBondContact N-O 2.81Å; Y173-G176 PolarHBondContact O-N 3.16Å; P174-G176 PolarHBondContact O-N 3.41Å; G176-G201 WeakPolarHBondContact CA-O 3.36Å | ||
| 177 | V | 70.6 | Confident | 53.4 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.2 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | V168 Y173 T179 V193 Y198 G201 V202 G203 | V168-V177 HydrophobicContact CG1-CG2 4.49Å; V168-V177 HydrophobicContact CG2-CG1 4.04Å; Y173-V177 HydrophobicContact CD1-CG2 3.83Å; Y173-V177 HydrophobicContact CD2-CG2 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 4.43Å; Y173-V177 HydrophobicContact CG-CG2 3.77Å; V177-T179 HydrophobicContact CG1-CG2 4.24Å; V177-V193 HydrophobicContact CG1-CG2 4.39Å; V177-Y198 HydrophobicContact CB-CD1 4.4Å; V177-Y198 HydrophobicContact CB-CE1 4.39Å; V177-Y198 HydrophobicContact CG2-CD1 3.71Å; V177-Y198 HydrophobicContact CG2-CE1 3.54Å; V177-G201 PolarHBondContact N-O 2.93Å; V177-V202 CarbonylContact O-C 3.59Å; V177-V202 WeakPolarHBondContact O-CA 3.47Å; V177-G203 PolarHBondContact O-N 3.03Å |
| 178 | S | 62.6 | Low | 51.2 | Low | 59 Ų | 59 | 55.2 Ų | 55.2 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.2 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 108.9 | V162 S163 T164 | V162-S178 PolarHBondContact O-N 3.47Å; S163-S178 WeakPolarHBondContact CA-O 3.39Å; T164-S178 PolarHBondContact N-O 2.99Å |
| 179 | T | 59 | Low | 49.3 | Very low | 22 Ų | 22 | 58 Ų | 58 | 14% | 0.135 | 43% | 0.427 | C | S | . | . | trans | -77.4 | 145.5 | 173.5 | 57 | 0 | 0 | 0 | 0 | 109.2 | V177 V193 A204 G205 | V177-T179 HydrophobicContact CG1-CG2 4.24Å; T179-V193 HydrophobicContact CG2-CG2 4.25Å; T179-A204 CarbonylContact O-C 3.5Å; T179-A204 VanDerWaalsContact O-O 3.06Å; T179-G205 WeakPolarHBondContact O-CA 3.35Å; T179-G205 WeakPolarHBondContact OG1-CA 3.39Å | ||
| 180 | G | 43.6 | Very low | 47.5 | Very low | 21 Ų | 21 | 56.4 Ų | 56.4 | 22% | 0.216 | 43% | 0.426 | C | S | . | . | trans | -110.8 | 150.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V182 | G180-V182 PolarHBondContact O-N 3.03Š| ||
| 181 | T | 32.3 | Very low | 46.5 | Very low | 110 Ų | 110 | 57.8 Ų | 57.8 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 119.4 | 171.6 | -43.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 182 | V | 28.1 | Very low | 45.3 | Very low | 75 Ų | 75 | 57.4 Ų | 57.4 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 126.3 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | G180 I187 | G180-V182 PolarHBondContact O-N 3.03Å; V182-I187 HydrophobicContact CG1-CB 4.09Å; V182-I187 HydrophobicContact CG1-CD1 3.9Å; V182-I187 HydrophobicContact CG1-CG1 4.05Å |
| 183 | G | 24.1 | Very low | 44.5 | Very low | 55 Ų | 55 | 54.7 Ų | 54.7 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 159.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | T185 | G183-T185 PolarHBondContact O-N 2.05Š|
| 184 | T | 22 | Very low | 43.6 | Very low | 152 Ų | 152 | 56.3 Ų | 56.3 | 93% | 0.933 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64.4 | 5.7 | -169.4 | 43.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 185 | T | 21.4 | Very low | 43 | Very low | 133 Ų | 133 | 55.3 Ų | 55.3 | 82% | 0.816 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -141.5 | 100.5 | -178.1 | 39 | 0 | 0 | 0 | 0 | 110 | G183 | G183-T185 PolarHBondContact O-N 2.05Š|
| 186 | G | 21.1 | Very low | 42.7 | Very low | 78 Ų | 78 | 54 Ų | 54 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 127.1 | 4.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 187 | I | 21.3 | Very low | 42.8 | Very low | 68 Ų | 68 | 56.5 Ų | 56.5 | 35% | 0.349 | 42% | 0.423 | S | S | . | . | trans | -135.7 | 94.9 | 165.1 | -46.2 | 178.1 | 0 | 0 | 0 | 109.2 | T148 V182 G189 | T148-I187 HydrophobicContact CG2-CD1 3.56Å; T148-I187 HydrophobicContact CG2-CG1 4.25Å; V182-I187 HydrophobicContact CG1-CB 4.09Å; V182-I187 HydrophobicContact CG1-CD1 3.9Å; V182-I187 HydrophobicContact CG1-CG1 4.05Å; I187-G189 PolarHBondContact O-N 3.08Å | ||
| 188 | A | 22.1 | Very low | 43 | Very low | 109 Ų | 109 | 56.4 Ų | 56.4 | 90% | 0.901 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 119.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 189 | G | 25.3 | Very low | 43.4 | Very low | 60 Ų | 60 | 56.2 Ų | 56.2 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | 21.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119 | I187 T191 | I187-G189 PolarHBondContact O-N 3.08Å; G189-T191 VanDerWaalsContact C-N 3.26Å; G189-T191 PolarHBondContact O-N 2.99Å |
| 190 | G | 31.3 | Very low | 43.9 | Very low | 46 Ų | 46 | 57.5 Ų | 57.5 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | trans | -80.2 | 58.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S167 | S167-G190 VanDerWaalsContact OG-C 3.29Å; S167-G190 WeakPolarHBondContact OG-CA 3.38Å | ||
| 191 | T | 43.5 | Very low | 45.3 | Very low | 49 Ų | 49 | 56.8 Ų | 56.8 | 30% | 0.301 | 43% | 0.429 | S | S | . | . | trans | -106.4 | 113.2 | -167 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | S167 G189 T210 | S167-T191 PolarHBondContact OG-N 3.49Å; G189-T191 VanDerWaalsContact C-N 3.26Å; G189-T191 PolarHBondContact O-N 2.99Å; T191-T210 WeakPolarHBondContact CA-OG1 3.05Å; T191-T210 WeakPolarHBondContact CB-OG1 3.15Å; T191-T210 PolarHBondContact O-OG1 3.42Å; T191-T210 WeakPolarHBondContact OG1-CG2 3.13Å; T191-T210 PolarHBondContact OG1-OG1 3.04Å; T191-T210 VanDerWaalsContact OG1-OG1 3.13Å | ||
| 192 | G | 50.7 | Low | 47 | Very low | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | trans | 105.5 | 151.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T210 G211 | G192-T210 PolarHBondContact N-OG1 2.89Å; G192-G211 WeakPolarHBondContact CA-O 3.49Å | ||
| 193 | V | 59.6 | Low | 48.7 | Very low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.2 | 162.6 | 178.1 | 0 | 0 | 0 | 0 | 105.3 | V168 V177 T179 Y198 V202 I212 A213 | V168-V193 WeakPolarHBondContact O-CA 3.48Å; V177-V193 HydrophobicContact CG1-CG2 4.39Å; T179-V193 HydrophobicContact CG2-CG2 4.25Å; V193-Y198 HydrophobicContact CG1-CE1 3.85Å; V193-Y198 HydrophobicContact CG1-CE2 3.81Å; V193-Y198 WeakPolarHBondContact CG1-OH 3.39Å; V193-V202 HydrophobicContact CG1-CG2 4.44Å; V193-V202 HydrophobicContact CG2-CG1 4.18Å; V193-I212 CarbonylContact O-C 3.49Å; V193-I212 WeakPolarHBondContact O-CA 3.14Å; V193-A213 PolarHBondContact O-N 3.13Å |
| 194 | A | 60.4 | Low | 49.6 | Very low | 33 Ų | 33 | 50.2 Ų | 50.2 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 116 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V168 T169 G170 A213 | V168-A194 PolarHBondContact O-N 3.38Å; T169-A194 CarbonylContact C-O 3.49Å; T169-A194 WeakPolarHBondContact CA-O 3.45Å; G170-A194 PolarHBondContact N-O 3.21Å; A194-A213 HydrophobicContact CB-CB 4.02Å |
| 195 | G | 58.4 | Low | 51 | Low | 26 Ų | 26 | 43.6 Ų | 43.6 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 76.4 | 132.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G170 Y198 A213 A214 | G170-G195 WeakPolarHBondContact CA-O 3.44Å; G170-G195 PolarHBondContact N-O 2.78Å; G195-Y198 PolarHBondContact O-OH 3.14Å; G195-A213 PolarHBondContact N-O 3.08Å; G195-A214 WeakPolarHBondContact CA-O 3.32Å; G195-A214 PolarHBondContact N-O 2.62Å |
| 196 | G | 67.4 | Low | 51.9 | Low | 20 Ų | 20 | 41.1 Ų | 41.1 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | trans | 140.6 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G171 G215 V216 | G171-G196 CarbonylContact O-C 3.35Å; G171-G196 WeakPolarHBondContact O-CA 3.13Å; G196-G215 WeakPolarHBondContact O-CA 3.43Å; G196-V216 PolarHBondContact O-N 3.22Å | ||
| 197 | V | 73.3 | Confident | 53.4 | Low | 56 Ų | 56 | 37.8 Ų | 37.8 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 121.7 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | G171 V172 Y173 P199 V216 | G171-V197 PolarHBondContact O-N 3.44Å; V172-V197 HydrophobicContact CG1-CB 4.44Å; V172-V197 HydrophobicContact CG2-CB 4.44Å; Y173-V197 PolarHBondContact N-O 3.2Å; V197-P199 HydrophobicContact CG1-CG 4.28Å; V197-P199 WeakPolarHBondContact O-CD 3.44Å; V197-V216 HydrophobicContact CG1-CB 4.41Å |
| 198 | Y | 75.7 | Confident | 54.6 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -125.2 | 72.7 | -172.4 | -53.7 | -86.6 | 0 | 0 | 0 | 111.3 | Y173 V177 V193 G195 G200 G201 V202 V216 Y217 P218 | Y173-Y198 AromaticContact CD2-CD1 3.66Å; Y173-Y198 HydrophobicContact CD2-CD1 3.66Å; Y173-Y198 AromaticContact CD2-CE1 3.14Å; Y173-Y198 HydrophobicContact CD2-CE1 3.14Å; Y173-Y198 AromaticContact CD2-CZ 3.88Å; Y173-Y198 AromaticContact CE2-CE1 3.74Å; Y173-Y198 HydrophobicContact CE2-CE1 3.74Å; Y173-Y198 AromaticContact CG-CD1 3.97Å; Y173-Y198 HydrophobicContact CG-CD1 3.97Å; Y173-Y198 AromaticContact CG-CE1 3.79Å; Y173-Y198 HydrophobicContact CG-CE1 3.79Å; V177-Y198 HydrophobicContact CB-CD1 4.4Å; V177-Y198 HydrophobicContact CB-CE1 4.39Å; V177-Y198 HydrophobicContact CG2-CD1 3.71Å; V177-Y198 HydrophobicContact CG2-CE1 3.54Å; V193-Y198 HydrophobicContact CG1-CE1 3.85Å; V193-Y198 HydrophobicContact CG1-CE2 3.81Å; V193-Y198 WeakPolarHBondContact CG1-OH 3.39Å; G195-Y198 PolarHBondContact O-OH 3.14Å; Y198-G200 VanDerWaalsContact C-N 3.25Å; Y198-G200 PolarHBondContact O-N 3.03Å; Y198-G201 PolarHBondContact O-N 2.8Å; Y198-V202 HydrophobicContact CD1-CG2 4.33Å; Y198-V202 HydrophobicContact CG-CG2 4.22Å; Y198-V216 PolarHBondContact N-O 3.32Å; Y198-Y217 AromaticContact CD2-CD1 3.54Å; Y198-Y217 HydrophobicContact CD2-CD1 3.54Å; Y198-Y217 AromaticContact CD2-CE1 3.09Å; Y198-Y217 HydrophobicContact CD2-CE1 3.09Å; Y198-Y217 AromaticContact CD2-CZ 3.82Å; Y198-Y217 HydrophobicContact CE2-CD1 4.43Å; Y198-Y217 AromaticContact CE2-CE1 3.56Å; Y198-Y217 HydrophobicContact CE2-CE1 3.56Å; Y198-Y217 AromaticContact CE2-CZ 3.94Å; Y198-Y217 AromaticContact CG-CD1 3.93Å; Y198-Y217 HydrophobicContact CG-CD1 3.93Å; Y198-Y217 AromaticContact CG-CE1 3.77Å; Y198-Y217 HydrophobicContact CG-CE1 3.77Å; Y198-P218 WeakPolarHBondContact O-CD 3.13Å | ||
| 199 | P | 70.4 | Confident | 55.5 | Low | 56 Ų | 56 | 35.8 Ų | 35.8 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -40.4 | -179.7 | -22.6 | 33.1 | 0 | 0 | 0 | 113 | Y173 V197 G201 G219 | Y173-P199 WeakPolarHBondContact O-CD 3.49Å; V197-P199 HydrophobicContact CG1-CG 4.28Å; V197-P199 WeakPolarHBondContact O-CD 3.44Å; P199-G201 PolarHBondContact O-N 2.85Å; P199-G219 WeakPolarHBondContact O-CA 3.43Å; P199-G219 PolarHBondContact O-N 3.03Å |
| 200 | G | 70.1 | Confident | 56.5 | Low | 49 Ų | 49 | 36.7 Ų | 36.7 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P174 Y198 | P174-G200 WeakPolarHBondContact O-CA 3.07Å; P174-G200 PolarHBondContact O-N 2.97Å; P174-G200 VanDerWaalsContact O-N 3.12Å; Y198-G200 VanDerWaalsContact C-N 3.25Å; Y198-G200 PolarHBondContact O-N 3.03Å |
| 201 | G | 72.5 | Confident | 57.6 | Low | 5 Ų | 5 | 34.6 Ų | 34.6 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | trans | 81.2 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G176 V177 Y198 P199 G220 | G176-G201 WeakPolarHBondContact CA-O 3.36Å; V177-G201 PolarHBondContact N-O 2.93Å; Y198-G201 PolarHBondContact O-N 2.8Å; P199-G201 PolarHBondContact O-N 2.85Å; G201-G220 WeakPolarHBondContact CA-O 3.13Å | ||
| 202 | V | 68.3 | Low | 58.2 | Low | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | V177 V193 Y198 I212 Y217 P222 | V177-V202 CarbonylContact O-C 3.59Å; V177-V202 WeakPolarHBondContact O-CA 3.47Å; V193-V202 HydrophobicContact CG1-CG2 4.44Å; V193-V202 HydrophobicContact CG2-CG1 4.18Å; Y198-V202 HydrophobicContact CD1-CG2 4.33Å; Y198-V202 HydrophobicContact CG-CG2 4.22Å; V202-I212 HydrophobicContact CG1-CD1 4.35Å; V202-Y217 HydrophobicContact CG2-CD1 3.7Å; V202-Y217 HydrophobicContact CG2-CE1 3.5Å; V202-P222 WeakPolarHBondContact O-CD 3.39Å |
| 203 | G | 63.2 | Low | 58.4 | Low | 20 Ų | 20 | 33.8 Ų | 33.8 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 164.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V177 G205 | V177-G203 PolarHBondContact O-N 3.03Å; G203-G205 PolarHBondContact O-N 3.13Å |
| 204 | A | 43.5 | Very low | 58.2 | Low | 82 Ų | 82 | 36.4 Ų | 36.4 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -62.4 | 121.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T179 | T179-A204 CarbonylContact O-C 3.5Å; T179-A204 VanDerWaalsContact O-O 3.06Å |
| 205 | G | 52 | Low | 58.2 | Low | 13 Ų | 13 | 35.3 Ų | 35.3 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -161.4 | 161.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | T179 G203 V207 | T179-G205 WeakPolarHBondContact O-CA 3.35Å; T179-G205 WeakPolarHBondContact OG1-CA 3.39Å; G203-G205 PolarHBondContact O-N 3.13Å; G205-V207 PolarHBondContact O-N 3.19Å |
| 206 | T | 40.7 | Very low | 58.7 | Low | 81 Ų | 81 | 37.2 Ų | 37.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | trans | -63.5 | 102.4 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 108.9 | G208 | T206-G208 PolarHBondContact O-N 2.87Š| ||
| 207 | V | 51.6 | Low | 58.8 | Low | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | trans | -69.1 | 118 | 168.8 | 176.1 | 0 | 0 | 0 | 0 | 106.4 | G205 G211 I212 I225 | G205-V207 PolarHBondContact O-N 3.19Å; V207-G211 VanDerWaalsContact CG1-C 3.44Å; V207-I212 HydrophobicContact CG1-CG1 4.24Å; V207-I212 HydrophobicContact CG2-CD1 4.41Å; V207-I212 HydrophobicContact CG2-CG1 4.17Å; V207-I225 HydrophobicContact CB-CG2 3.56Å; V207-I225 HydrophobicContact CG2-CD1 4.28Å; V207-I225 HydrophobicContact CG2-CG2 3.33Å | ||
| 208 | G | 46 | Very low | 58.4 | Low | 20 Ų | 20 | 36.7 Ų | 36.7 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | -58.7 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T206 T210 G211 | T206-G208 PolarHBondContact O-N 2.87Å; G208-T210 PolarHBondContact O-N 2.91Å; G208-G211 PolarHBondContact O-N 2.94Å | ||
| 209 | T | 41.9 | Very low | 57.8 | Low | 115 Ų | 115 | 38.5 Ų | 38.5 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -16.8 | -171.4 | 48.7 | 0 | 0 | 0 | 0 | 116 | T228 | T209-T228 PolarHBondContact O-OG1 3.15Š|
| 210 | T | 46.5 | Very low | 57.6 | Low | 79 Ų | 79 | 36.3 Ų | 36.3 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.5 | 179.4 | 57.7 | 0 | 0 | 0 | 0 | 115 | T191 G192 G208 | T191-T210 WeakPolarHBondContact CA-OG1 3.05Å; T191-T210 WeakPolarHBondContact CB-OG1 3.15Å; T191-T210 PolarHBondContact O-OG1 3.42Å; T191-T210 WeakPolarHBondContact OG1-CG2 3.13Å; T191-T210 PolarHBondContact OG1-OG1 3.04Å; T191-T210 VanDerWaalsContact OG1-OG1 3.13Å; G192-T210 PolarHBondContact N-OG1 2.89Å; G208-T210 PolarHBondContact O-N 2.91Å |
| 211 | G | 53.7 | Low | 57.4 | Low | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | 68.7 | -171.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G192 V207 G208 G229 | G192-G211 WeakPolarHBondContact CA-O 3.49Å; V207-G211 VanDerWaalsContact CG1-C 3.44Å; G208-G211 PolarHBondContact O-N 2.94Å; G211-G229 CarbonylContact C-O 3.51Å; G211-G229 VanDerWaalsContact CA-O 3.23Å; G211-G229 WeakPolarHBondContact CA-O 3.34Å | ||
| 212 | I | 57.2 | Low | 56.7 | Low | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.1 | 172.8 | -61.7 | 173.9 | 0 | 0 | 0 | 106.6 | V193 V202 V207 Y217 I221 I225 G229 A231 | V193-I212 CarbonylContact O-C 3.49Å; V193-I212 WeakPolarHBondContact O-CA 3.14Å; V202-I212 HydrophobicContact CG1-CD1 4.35Å; V207-I212 HydrophobicContact CG1-CG1 4.24Å; V207-I212 HydrophobicContact CG2-CD1 4.41Å; V207-I212 HydrophobicContact CG2-CG1 4.17Å; I212-Y217 HydrophobicContact CG2-CE1 4.14Å; I212-Y217 HydrophobicContact CG2-CE2 3.98Å; I212-Y217 VanDerWaalsContact CG2-CZ 3.48Å; I212-Y217 WeakPolarHBondContact CG2-OH 3.35Å; I212-I221 HydrophobicContact CD1-CD1 3.9Å; I212-I221 HydrophobicContact CD1-CG1 4.42Å; I212-I221 HydrophobicContact CD1-CG2 3.98Å; I212-I225 HydrophobicContact CD1-CD1 4.11Å; I212-G229 PolarHBondContact N-O 3.1Å; I212-A231 PolarHBondContact O-N 3.17Å |
| 213 | A | 54.5 | Low | 55.5 | Low | 35 Ų | 35 | 45 Ų | 45 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 146 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V193 A194 G195 Y217 | V193-A213 PolarHBondContact O-N 3.13Å; A194-A213 HydrophobicContact CB-CB 4.02Å; G195-A213 PolarHBondContact N-O 3.08Å; A213-Y217 PolarHBondContact O-OH 3.21Å |
| 214 | A | 55.1 | Low | 54.9 | Low | 56 Ų | 56 | 47.2 Ų | 47.2 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 17.7 | 108.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G195 A231 | G195-A214 WeakPolarHBondContact CA-O 3.32Å; G195-A214 PolarHBondContact N-O 2.62Å; A214-A231 PolarHBondContact N-O 2.76Å |
| 215 | G | 60.4 | Low | 55.2 | Low | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | trans | -171.8 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G196 Y217 G233 I234 | G196-G215 WeakPolarHBondContact O-CA 3.43Å; G215-Y217 VanDerWaalsContact C-CE2 3.44Å; G215-Y217 WeakPolarHBondContact O-CD2 3.41Å; G215-Y217 WeakPolarHBondContact O-CE2 3.27Å; G215-G233 VanDerWaalsContact O-CA 3.3Å; G215-G233 WeakPolarHBondContact O-CA 3.5Å; G215-I234 PolarHBondContact O-N 3.37Å | ||
| 216 | V | 68 | Low | 54.5 | Low | 65 Ų | 65 | 49.2 Ų | 49.2 | 39% | 0.394 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.8 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | G196 V197 Y198 P218 | G196-V216 PolarHBondContact O-N 3.22Å; V197-V216 HydrophobicContact CG1-CB 4.41Å; Y198-V216 PolarHBondContact N-O 3.32Å; V216-P218 HydrophobicContact CG1-CG 4.21Å; V216-P218 WeakPolarHBondContact O-CD 3.05Å |
| 217 | Y | 70.5 | Confident | 54.8 | Low | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 76.6 | -174.5 | -53.3 | -83.3 | 0 | 0 | 0 | 111.2 | Y198 V202 I212 A213 G215 G219 G220 I234 | Y198-Y217 AromaticContact CD2-CD1 3.54Å; Y198-Y217 HydrophobicContact CD2-CD1 3.54Å; Y198-Y217 AromaticContact CD2-CE1 3.09Å; Y198-Y217 HydrophobicContact CD2-CE1 3.09Å; Y198-Y217 AromaticContact CD2-CZ 3.82Å; Y198-Y217 HydrophobicContact CE2-CD1 4.43Å; Y198-Y217 AromaticContact CE2-CE1 3.56Å; Y198-Y217 HydrophobicContact CE2-CE1 3.56Å; Y198-Y217 AromaticContact CE2-CZ 3.94Å; Y198-Y217 AromaticContact CG-CD1 3.93Å; Y198-Y217 HydrophobicContact CG-CD1 3.93Å; Y198-Y217 AromaticContact CG-CE1 3.77Å; Y198-Y217 HydrophobicContact CG-CE1 3.77Å; V202-Y217 HydrophobicContact CG2-CD1 3.7Å; V202-Y217 HydrophobicContact CG2-CE1 3.5Å; I212-Y217 HydrophobicContact CG2-CE1 4.14Å; I212-Y217 HydrophobicContact CG2-CE2 3.98Å; I212-Y217 VanDerWaalsContact CG2-CZ 3.48Å; I212-Y217 WeakPolarHBondContact CG2-OH 3.35Å; A213-Y217 PolarHBondContact O-OH 3.21Å; G215-Y217 VanDerWaalsContact C-CE2 3.44Å; G215-Y217 WeakPolarHBondContact O-CD2 3.41Å; G215-Y217 WeakPolarHBondContact O-CE2 3.27Å; Y217-G219 VanDerWaalsContact C-N 3.25Å; Y217-G219 PolarHBondContact O-N 3.19Å; Y217-G220 PolarHBondContact O-N 3.1Å; Y217-I234 PolarHBondContact N-O 3.42Å |
| 218 | P | 63.8 | Low | 54.3 | Low | 59 Ų | 59 | 53.1 Ų | 53.1 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32.4 | 179 | -22.2 | 33.6 | 0 | 0 | 0 | 113.5 | Y198 V216 G220 V236 | Y198-P218 WeakPolarHBondContact O-CD 3.13Å; V216-P218 HydrophobicContact CG1-CG 4.21Å; V216-P218 WeakPolarHBondContact O-CD 3.05Å; P218-G220 VanDerWaalsContact C-N 3.33Å; P218-G220 PolarHBondContact O-N 3.01Å; P218-V236 HydrophobicContact CB-CG2 4.44Å |
| 219 | G | 64.3 | Low | 54.3 | Low | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P199 Y217 | P199-G219 WeakPolarHBondContact O-CA 3.43Å; P199-G219 PolarHBondContact O-N 3.03Å; Y217-G219 VanDerWaalsContact C-N 3.25Å; Y217-G219 PolarHBondContact O-N 3.19Å |
| 220 | G | 66.9 | Low | 54.8 | Low | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | trans | 75.4 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G201 Y217 P218 | G201-G220 WeakPolarHBondContact CA-O 3.13Å; Y217-G220 PolarHBondContact O-N 3.1Å; P218-G220 VanDerWaalsContact C-N 3.33Å; P218-G220 PolarHBondContact O-N 3.01Å | ||
| 221 | I | 64.8 | Low | 54.7 | Low | 57 Ų | 57 | 53.3 Ų | 53.3 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | trans | -121.6 | 121.5 | 175.2 | -57.1 | 170 | 0 | 0 | 0 | 106.2 | I212 A223 I225 | I212-I221 HydrophobicContact CD1-CD1 3.9Å; I212-I221 HydrophobicContact CD1-CG1 4.42Å; I212-I221 HydrophobicContact CD1-CG2 3.98Å; I221-A223 PolarHBondContact O-N 3.14Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.38Å | ||
| 222 | P | 58.2 | Low | 54.4 | Low | 66 Ų | 66 | 56.5 Ų | 56.5 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | trans | -59.5 | 135.7 | 179.2 | -20.6 | 31.3 | 0 | 0 | 0 | 111.6 | V202 G224 | V202-P222 WeakPolarHBondContact O-CD 3.39Å; P222-G224 PolarHBondContact O-N 3.42Å; P222-G224 VanDerWaalsContact O-N 3.07Å | ||
| 223 | A | 42.8 | Very low | 53.9 | Low | 114 Ų | 114 | 57.7 Ų | 57.7 | 94% | 0.942 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 108.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | I221 | I221-A223 PolarHBondContact O-N 3.14Š|
| 224 | G | 49.6 | Very low | 53.4 | Low | 68 Ų | 68 | 62.3 Ų | 62.3 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.4 | -4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P222 P226 | P222-G224 PolarHBondContact O-N 3.42Å; P222-G224 VanDerWaalsContact O-N 3.07Å; G224-P226 VanDerWaalsContact O-CD 3.27Å; G224-P226 WeakPolarHBondContact O-CD 3.34Å |
| 225 | I | 50.9 | Low | 52.9 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | trans | -89.2 | 107.6 | 175.9 | -54.1 | -174.5 | 0 | 0 | 0 | 109.4 | V207 I212 I221 G227 | V207-I225 HydrophobicContact CB-CG2 3.56Å; V207-I225 HydrophobicContact CG2-CD1 4.28Å; V207-I225 HydrophobicContact CG2-CG2 3.33Å; I212-I225 HydrophobicContact CD1-CD1 4.11Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.38Å; I225-G227 PolarHBondContact O-N 3.04Å | ||
| 226 | P | 36.9 | Very low | 51.8 | Low | 101 Ų | 101 | 66 Ų | 66 | 66% | 0.656 | 48% | 0.475 | S | S | * | . | trans | -88 | 97.8 | 174.4 | 17 | 2 | 0 | 0 | 0 | 108.1 | G224 | G224-P226 VanDerWaalsContact O-CD 3.27Å; G224-P226 WeakPolarHBondContact O-CD 3.34Å | ||
| 227 | G | 47.5 | Very low | 50.3 | Low | 35 Ų | 35 | 68.6 Ų | 68.6 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | trans | -143.9 | 139.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I225 G229 | I225-G227 PolarHBondContact O-N 3.04Å; G227-G229 PolarHBondContact O-N 3.01Å | ||
| 228 | T | 40.2 | Very low | 48.6 | Very low | 134 Ų | 134 | 72.1 Ų | 72.1 | 82% | 0.822 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -74.2 | 26.8 | -172.2 | 41.9 | 0 | 0 | 0 | 0 | 115.3 | T209 | T209-T228 PolarHBondContact O-OG1 3.15Š|
| 229 | G | 46.8 | Very low | 47 | Very low | 27 Ų | 27 | 76.3 Ų | 76.3 | 28% | 0.278 | 54% | 0.543 | S | S | . | . | trans | -175.3 | 104.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G211 I212 G227 | G211-G229 CarbonylContact C-O 3.51Å; G211-G229 VanDerWaalsContact CA-O 3.23Å; G211-G229 WeakPolarHBondContact CA-O 3.34Å; I212-G229 PolarHBondContact N-O 3.1Å; G227-G229 PolarHBondContact O-N 3.01Å | ||
| 230 | I | 52.7 | Low | 45.4 | Very low | 127 Ų | 127 | 82.1 Ų | 82.1 | 65% | 0.651 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 106.2 | 151.3 | -59.2 | 175.6 | 0 | 0 | 0 | 104.8 | ||
| 231 | A | 43.5 | Very low | 43.5 | Very low | 65 Ų | 65 | 86.9 Ų | 86.9 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 108.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I212 A214 | I212-A231 PolarHBondContact O-N 3.17Å; A214-A231 PolarHBondContact N-O 2.76Å |
| 232 | G | 47 | Very low | 42.1 | Very low | 69 Ų | 69 | 90.3 Ų | 90.3 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 85.8 | 28.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 233 | G | 47.4 | Very low | 41 | Very low | 33 Ų | 33 | 92.8 Ų | 92.8 | 34% | 0.34 | 63% | 0.626 | S | S | . | * | trans | -96 | 138 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G215 G235 | G215-G233 VanDerWaalsContact O-CA 3.3Å; G215-G233 WeakPolarHBondContact O-CA 3.5Å; G233-G235 PolarHBondContact O-N 3.42Å | ||
| 234 | I | 44.8 | Very low | 40.5 | Very low | 131 Ų | 131 | 92.7 Ų | 92.7 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 99.8 | 165.6 | -56.2 | 175.2 | 0 | 0 | 0 | 106.9 | G215 Y217 | G215-I234 PolarHBondContact O-N 3.37Å; Y217-I234 PolarHBondContact N-O 3.42Å |
| 235 | G | 43.3 | Very low | 39.9 | Very low | 53 Ų | 53 | 97.4 Ų | 97.4 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G233 | G233-G235 PolarHBondContact O-N 3.42Å |
| 236 | V | 38.4 | Very low | 39.1 | Very low | 92 Ų | 92 | 100.4 Ų | 100.4 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | trans | -82.8 | 133.4 | 162.9 | -104.9 | 0 | 0 | 0 | 0 | 107.9 | P218 S238 | P218-V236 HydrophobicContact CB-CG2 4.44Å; V236-S238 PolarHBondContact O-N 3.03Å; V236-S238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | P | 35.9 | Very low | 39 | Very low | 120 Ų | 120 | 101.7 Ų | 101.7 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -66.8 | 115.7 | 179.8 | 24.8 | -30.8 | 0 | 0 | 0 | 110.1 | V239 | P237-V239 PolarHBondContact O-N 3.25Š| ||
| 238 | S | 35.8 | Very low | 38.5 | Very low | 80 Ų | 80 | 103.7 Ų | 103.7 | 56% | 0.559 | 68% | 0.677 | S | S | * | * | trans | -71.8 | 120.6 | 165.3 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | V236 Q240 | V236-S238 PolarHBondContact O-N 3.03Å; V236-S238 VanDerWaalsContact O-N 3.15Å; S238-Q240 PolarHBondContact O-N 3.21Å | ||
| 239 | V | 28.4 | Very low | 38.3 | Very low | 146 Ų | 146 | 101 Ų | 101 | 89% | 0.885 | 68% | 0.675 | S | S | * | * | trans | -71.9 | 106.9 | 172.8 | -168.1 | 0 | 0 | 0 | 0 | 108.1 | P237 | P237-V239 PolarHBondContact O-N 3.25Š| ||
| 240 | Q | 31.2 | Very low | 37.9 | Very low | 160 Ų | 160 | 106.1 Ų | 106.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | -85.3 | 132.9 | 171.5 | -170.5 | 172.2 | -47.3 | 0 | 0 | 109.3 | S238 T242 | S238-Q240 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact O-N 3.4Å; Q240-T242 VanDerWaalsContact O-N 3.11Å | ||
| 241 | P | 27.8 | Very low | 37.3 | Very low | 110 Ų | 110 | 106 Ų | 106 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | trans | -69.5 | 109 | 170.2 | -3.4 | 17.2 | 0 | 0 | 0 | 108.8 | V243 | P241-V243 PolarHBondContact O-N 3.02Å; P241-V243 VanDerWaalsContact O-N 3.17Å | ||
| 242 | T | 35.1 | Very low | 36.9 | Very low | 129 Ų | 129 | 112 Ų | 112 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -70.9 | 104.9 | 167.6 | -44.1 | 0 | 0 | 0 | 0 | 108 | Q240 | Q240-T242 PolarHBondContact O-N 3.4Å; Q240-T242 VanDerWaalsContact O-N 3.11Å | ||
| 243 | V | 35 | Very low | 36.2 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -74.3 | 124.5 | 166 | -161.1 | 0 | 0 | 0 | 0 | 107.2 | P241 I245 | P241-V243 PolarHBondContact O-N 3.02Å; P241-V243 VanDerWaalsContact O-N 3.17Å; V243-I245 PolarHBondContact O-N 3.17Å | ||
| 244 | P | 33.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -70.1 | 117.9 | 175.3 | 26.6 | -29.7 | 0 | 0 | 0 | 109.2 | S246 | P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.17Å | ||
| 245 | I | 37.1 | Very low | 35.2 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 99.8 | 170.6 | -50.4 | 172.4 | 0 | 0 | 0 | 106.9 | V243 | V243-I245 PolarHBondContact O-N 3.17Š| ||
| 246 | S | 32.8 | Very low | 34.8 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 135.2 | 163.9 | -169 | 0 | 0 | 0 | 0 | 108.8 | P244 G248 | P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.17Å; S246-G248 PolarHBondContact O-N 3.07Å; S246-G248 VanDerWaalsContact O-N 3.12Å | ||
| 247 | P | 36 | Very low | 34.3 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -73.9 | 107.4 | -179.7 | 28.6 | -29.9 | 0 | 0 | 0 | 110.2 | ||
| 248 | G | 35.6 | Very low | 34.1 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 105.8 | 97.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S246 | S246-G248 PolarHBondContact O-N 3.07Å; S246-G248 VanDerWaalsContact O-N 3.12Å |
| 249 | G | 35.8 | Very low | 33.8 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 162.6 | 113.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | V | 40.1 | Very low | 33.9 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -26.4 | 136.7 | 175.7 | -160.8 | 0 | 0 | 0 | 0 | 116.2 | Q252 | V250-Q252 PolarHBondContact O-N 3.37Š| ||
| 251 | P | 38.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 124.1 | 179.7 | 29.8 | -31.6 | 0 | 0 | 0 | 111.7 | ||
| 252 | Q | 36.2 | Very low | 34 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 132.6 | 161 | -71.7 | -170.1 | -4.8 | 0 | 0 | 109.8 | V250 | V250-Q252 PolarHBondContact O-N 3.37Š|
| 253 | Q | 32.9 | Very low | 33.8 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.4 | -178 | -178.6 | -179.8 | -17.8 | 0 | 0 | 111.7 | ||
| 254 | P | 36.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 120.7 | 173.8 | -2.5 | 20 | 0 | 0 | 0 | 111.4 | ||
| 255 | T | 34.2 | Very low | 34.7 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -75.7 | 113.3 | 160.1 | 37.3 | 0 | 0 | 0 | 0 | 109.7 | Y257 | T255-Y257 PolarHBondContact O-N 3.01Š| ||
| 256 | T | 33.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -78.7 | 108.9 | 178.1 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | L258 | T256-L258 HydrophobicContact CG2-CD1 4.27Å; T256-L258 HydrophobicContact CG2-CG 4.11Å | ||
| 257 | Y | 29.6 | Very low | 36.4 | Very low | 225 Ų | 225 | 130.9 Ų | 130.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -93.7 | 119.8 | 154.3 | -111.2 | -98.6 | 0 | 0 | 0 | 107.1 | T255 P259 | T255-Y257 PolarHBondContact O-N 3.01Å; Y257-P259 WeakPolarHBondContact O-CD 3.11Å | ||
| 258 | L | 30.3 | Very low | 38.1 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -92.7 | 113.2 | 169.5 | -86.8 | 146.9 | 0 | 0 | 0 | 108.5 | T256 | T256-L258 HydrophobicContact CG2-CD1 4.27Å; T256-L258 HydrophobicContact CG2-CG 4.11Å | ||
| 259 | P | 31 | Very low | 40 | Very low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -75.2 | 146.9 | 167.5 | 15.9 | -3.7 | 0 | 0 | 0 | 110.2 | Y257 V261 | Y257-P259 WeakPolarHBondContact O-CD 3.11Å; P259-V261 PolarHBondContact O-N 2.92Å | ||
| 260 | G | 29.1 | Very low | 41.6 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -55.4 | 127.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S262 | G260-S262 PolarHBondContact O-N 2.98Š| ||
| 261 | V | 31.8 | Very low | 43.3 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 62% | 0.624 | 73% | 0.73 | S | S | * | * | trans | -85.1 | 103.4 | 172.7 | -166.3 | 0 | 0 | 0 | 0 | 108 | P259 W263 | P259-V261 PolarHBondContact O-N 2.92Å; V261-W263 HydrophobicContact CG1-CZ2 4.38Å | ||
| 262 | S | 30.7 | Very low | 45.1 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -80.1 | 117.5 | 166.8 | 61.1 | 0 | 0 | 0 | 0 | 109 | G260 | G260-S262 PolarHBondContact O-N 2.98Š| ||
| 263 | W | 29.9 | Very low | 46.7 | Very low | 219 Ų | 219 | 116 Ų | 116 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | trans | -83.8 | 129.7 | 176.4 | -69.6 | 88 | 0 | 0 | 0 | 110.5 | V261 G265 | V261-W263 HydrophobicContact CG1-CZ2 4.38Å; W263-G265 PolarHBondContact O-N 3.04Å | ||
| 264 | P | 37.8 | Very low | 48.7 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | trans | -75.4 | 83.1 | 169.7 | 30.9 | -30.4 | 0 | 0 | 0 | 108.3 | ||||
| 265 | G | 49.5 | Very low | 50.7 | Low | 55 Ų | 55 | 110.1 Ų | 110.1 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | trans | -127.2 | 144.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | W263 Q267 | W263-G265 PolarHBondContact O-N 3.04Å; G265-Q267 PolarHBondContact O-N 2.99Å; G265-Q267 VanDerWaalsContact O-N 3.1Å | ||
| 266 | A | 51.7 | Low | 52.9 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 84% | 0.835 | 62% | 0.622 | S | S | * | * | trans | -52.9 | 120.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I268 | A266-I268 PolarHBondContact O-N 2.85Š| ||
| 267 | Q | 53.4 | Low | 55 | Low | 179 Ų | 179 | 103.8 Ų | 103.8 | 84% | 0.836 | 59% | 0.589 | S | S | * | * | trans | -64.9 | 108.5 | 174 | -80.9 | -176.6 | -40.1 | 0 | 0 | 108.2 | G265 | G265-Q267 PolarHBondContact O-N 2.99Å; G265-Q267 VanDerWaalsContact O-N 3.1Å | ||
| 268 | I | 71.4 | Confident | 57.2 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 20% | 0.2 | 57% | 0.567 | C | S | . | * | trans | -62.2 | 129.9 | 169.2 | -59.4 | 173.9 | 0 | 0 | 0 | 107 | P84 A266 E272 Q273 | P84-I268 HydrophobicContact CB-CD1 4.34Å; A266-I268 PolarHBondContact O-N 2.85Å; I268-E272 HydrophobicContact CG2-CB 3.58Å; I268-E272 HydrophobicContact CG2-CG 3.65Å; I268-Q273 HydrophobicContact CB-CG 3.85Å; I268-Q273 HydrophobicContact CG2-CG 3.76Å; I268-Q273 PolarHBondContact O-NE2 3.32Å | ||
| 269 | P | 75.6 | Confident | 59.5 | Low | 65 Ų | 65 | 94.5 Ų | 94.5 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | trans | -52.6 | 141.6 | 177.3 | -25.6 | 33.3 | 0 | 0 | 0 | 111.5 | T271 E272 Q273 | P269-T271 PolarHBondContact O-N 3.13Å; P269-E272 PolarHBondContact O-N 2.9Å; P269-Q273 PolarHBondContact O-N 2.88Å | ||
| 270 | P | 71 | Confident | 61.8 | Low | 97 Ų | 97 | 92 Ų | 92 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -52.9 | -30.5 | -179.4 | -28.6 | 34.5 | 0 | 0 | 0 | 114.3 | T274 | P270-T274 WeakPolarHBondContact O-CB 3.35Å; P270-T274 PolarHBondContact O-N 3.33Å; P270-T274 PolarHBondContact O-OG1 3.5Å |
| 271 | T | 74.6 | Confident | 64.1 | Low | 110 Ų | 110 | 89.9 Ų | 89.9 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -44.9 | 175 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | P269 T274 Q275 | P269-T271 PolarHBondContact O-N 3.13Å; T271-T274 PolarHBondContact O-N 3.31Å; T271-Q275 WeakPolarHBondContact O-CB 3.42Å; T271-Q275 PolarHBondContact O-N 2.76Å |
| 272 | E | 76.3 | Confident | 66.3 | Low | 72 Ų | 72 | 91.7 Ų | 91.7 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 177.4 | -175.1 | -173.2 | 162.8 | 0 | 0 | 111.1 | I268 P269 Q275 R276 | I268-E272 HydrophobicContact CG2-CB 3.58Å; I268-E272 HydrophobicContact CG2-CG 3.65Å; P269-E272 PolarHBondContact O-N 2.9Å; E272-Q275 PolarHBondContact O-N 2.94Å; E272-R276 WeakPolarHBondContact O-CB 3.17Å; E272-R276 WeakPolarHBondContact O-CG 3.21Å; E272-R276 PolarHBondContact O-N 2.87Å; E272-R276 IonicContact OE1-CZ 3.42Å; E272-R276 IonicContact OE1-NE 3.14Å; E272-R276 PolarHBondContact OE1-NE 3.12Å; E272-R276 VanDerWaalsContact OE1-NE 3.14Å; E272-R276 IonicContact OE1-NH2 2.8Å; E272-R276 PolarHBondContact OE1-NH2 3.21Å |
| 273 | Q | 71 | Confident | 68.4 | Low | 36 Ų | 36 | 90.5 Ų | 90.5 | 17% | 0.168 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 172.2 | -68.9 | 175.7 | 0.4 | 0 | 0 | 112.2 | G59 I268 P269 Q275 R276 C277 | G59-Q273 VanDerWaalsContact C-OE1 3.31Å; G59-Q273 PolarHBondContact O-NE2 3.5Å; G59-Q273 PolarHBondContact O-OE1 3.35Å; I268-Q273 HydrophobicContact CB-CG 3.85Å; I268-Q273 HydrophobicContact CG2-CG 3.76Å; I268-Q273 PolarHBondContact O-NE2 3.32Å; P269-Q273 PolarHBondContact O-N 2.88Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 2.96Å; Q273-R276 PolarHBondContact O-N 3.02Å; Q273-C277 PolarHBondContact O-N 2.96Å |
| 274 | T | 75 | Confident | 70.6 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | P270 T271 C277 N278 | P270-T274 WeakPolarHBondContact O-CB 3.35Å; P270-T274 PolarHBondContact O-N 3.33Å; P270-T274 PolarHBondContact O-OG1 3.5Å; T271-T274 PolarHBondContact O-N 3.31Å; T274-C277 PolarHBondContact O-N 2.97Å; T274-N278 WeakPolarHBondContact O-CB 2.98Å; T274-N278 VanDerWaalsContact O-CG 3.3Å; T274-N278 PolarHBondContact O-N 3.15Å; T274-N278 PolarHBondContact O-ND2 3.02Å; T274-N278 VanDerWaalsContact O-ND2 3.15Å |
| 275 | Q | 79 | Confident | 72.3 | Confident | 111 Ų | 111 | 78.2 Ų | 78.2 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 175.3 | -177.2 | 178.3 | -15.8 | 0 | 0 | 111.8 | T271 E272 Q273 C277 N278 E279 | T271-Q275 WeakPolarHBondContact O-CB 3.42Å; T271-Q275 PolarHBondContact O-N 2.76Å; E272-Q275 PolarHBondContact O-N 2.94Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 2.96Å; Q275-C277 VanDerWaalsContact C-N 3.3Å; Q275-C277 PolarHBondContact O-N 2.82Å; Q275-N278 WeakPolarHBondContact O-CB 3.11Å; Q275-N278 PolarHBondContact O-N 3.42Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.37Å; Q275-E279 PolarHBondContact NE2-OE1 3.01Å; Q275-E279 WeakPolarHBondContact O-CG 3.41Å; Q275-E279 PolarHBondContact O-N 2.89Å |
| 276 | R | 78.4 | Confident | 73.5 | Confident | 113 Ų | 113 | 82 Ų | 82 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 177.3 | -74.1 | 177.6 | -177.8 | -120 | 2.3 | 111.9 | E272 Q273 E279 I280 | E272-R276 WeakPolarHBondContact O-CB 3.17Å; E272-R276 WeakPolarHBondContact O-CG 3.21Å; E272-R276 PolarHBondContact O-N 2.87Å; E272-R276 IonicContact OE1-CZ 3.42Å; E272-R276 IonicContact OE1-NE 3.14Å; E272-R276 PolarHBondContact OE1-NE 3.12Å; E272-R276 VanDerWaalsContact OE1-NE 3.14Å; E272-R276 IonicContact OE1-NH2 2.8Å; E272-R276 PolarHBondContact OE1-NH2 3.21Å; Q273-R276 PolarHBondContact O-N 3.02Å; R276-E279 PolarHBondContact O-N 3.02Å; R276-I280 WeakPolarHBondContact O-CG1 2.99Å; R276-I280 PolarHBondContact O-N 2.87Å |
| 277 | C | 77.3 | Confident | 74.3 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | 177 | -165 | 0 | 0 | 0 | 0 | 112.5 | C62 Q273 T274 Q275 E279 I280 L281 | C62-C277 HydrophobicContact CB-CB 3.7Å; C62-C277 WeakPolarHBondContact CB-SG 3.18Å; C62-C277 WeakPolarHBondContact SG-CB 3.49Å; C62-C277 CovalentContact SG-SG 2.01Å; C62-C277 PolarHBondContact SG-SG 3.08Å; Q273-C277 PolarHBondContact O-N 2.96Å; T274-C277 PolarHBondContact O-N 2.97Å; Q275-C277 VanDerWaalsContact C-N 3.3Å; Q275-C277 PolarHBondContact O-N 2.82Å; C277-E279 VanDerWaalsContact C-N 3.33Å; C277-E279 PolarHBondContact O-N 3.27Å; C277-I280 PolarHBondContact O-N 2.85Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.44Å; C277-L281 PolarHBondContact O-N 2.89Å |
| 278 | N | 76.3 | Confident | 75.1 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 173.7 | -74.1 | -34.2 | 0 | 0 | 0 | 112.7 | T274 Q275 R282 | T274-N278 WeakPolarHBondContact O-CB 2.98Å; T274-N278 VanDerWaalsContact O-CG 3.3Å; T274-N278 PolarHBondContact O-N 3.15Å; T274-N278 PolarHBondContact O-ND2 3.02Å; T274-N278 VanDerWaalsContact O-ND2 3.15Å; Q275-N278 WeakPolarHBondContact O-CB 3.11Å; Q275-N278 PolarHBondContact O-N 3.42Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; N278-R282 WeakPolarHBondContact O-CB 3.35Å; N278-R282 WeakPolarHBondContact O-CG 3.17Å; N278-R282 PolarHBondContact O-N 2.98Å |
| 279 | E | 79.6 | Confident | 75.3 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.2 | -73.7 | 172.2 | -171.4 | 0 | 0 | 111.7 | Q275 R276 C277 L281 R282 E283 | Q275-E279 WeakPolarHBondContact CG-OE1 3.37Å; Q275-E279 PolarHBondContact NE2-OE1 3.01Å; Q275-E279 WeakPolarHBondContact O-CG 3.41Å; Q275-E279 PolarHBondContact O-N 2.89Å; R276-E279 PolarHBondContact O-N 3.02Å; C277-E279 VanDerWaalsContact C-N 3.33Å; C277-E279 PolarHBondContact O-N 3.27Å; E279-L281 PolarHBondContact O-N 2.82Å; E279-R282 PolarHBondContact O-N 3.17Å; E279-E283 PolarHBondContact O-N 2.78Å |
| 280 | I | 78.4 | Confident | 75.1 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 30% | 0.303 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.5 | -67.8 | 166.1 | 0 | 0 | 0 | 110.8 | R276 C277 R282 E283 I284 | R276-I280 WeakPolarHBondContact O-CG1 2.99Å; R276-I280 PolarHBondContact O-N 2.87Å; C277-I280 PolarHBondContact O-N 2.85Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.99Å; I280-E283 PolarHBondContact O-N 2.69Å; I280-I284 HydrophobicContact CG2-CD1 3.84Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.41Å |
| 281 | L | 77.6 | Confident | 74.7 | Confident | 38 Ų | 38 | 90 Ų | 90 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.7 | -77.6 | 164.2 | 0 | 0 | 0 | 111.9 | A53 V64 C277 E279 E283 I284 C285 | A53-L281 HydrophobicContact CB-CD1 4.1Å; V64-L281 HydrophobicContact CG1-CD2 3.98Å; V64-L281 HydrophobicContact CG2-CD2 4Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.44Å; C277-L281 PolarHBondContact O-N 2.89Å; E279-L281 PolarHBondContact O-N 2.82Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.49Å; L281-I284 PolarHBondContact O-N 3.49Å; L281-C285 WeakPolarHBondContact O-CB 2.89Å; L281-C285 PolarHBondContact O-N 3.22Å; L281-C285 PolarHBondContact O-SG 2.76Å; L281-C285 VanDerWaalsContact O-SG 3.33Å |
| 282 | R | 78.1 | Confident | 73.6 | Confident | 140 Ų | 140 | 89.6 Ų | 89.6 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.5 | -83 | -179.4 | 179.6 | 164.7 | 1.7 | 112.1 | N278 E279 I280 C285 R286 | N278-R282 WeakPolarHBondContact O-CB 3.35Å; N278-R282 WeakPolarHBondContact O-CG 3.17Å; N278-R282 PolarHBondContact O-N 2.98Å; E279-R282 PolarHBondContact O-N 3.17Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.99Å; R282-C285 PolarHBondContact O-N 3.33Å; R282-R286 WeakPolarHBondContact O-CB 3.48Å; R282-R286 PolarHBondContact O-N 3.4Å |
| 283 | E | 75.6 | Confident | 72.5 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 41% | 0.407 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -179.9 | -160 | 61 | -159.5 | 0 | 0 | 111.6 | E279 I280 L281 R286 Y287 | E279-E283 PolarHBondContact O-N 2.78Å; I280-E283 PolarHBondContact O-N 2.69Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.49Å; E283-R286 PolarHBondContact O-N 3.38Å; E283-Y287 HydrophobicContact CG-CD2 4.4Å; E283-Y287 PolarHBondContact O-N 3.4Å |
| 284 | I | 74.5 | Confident | 71.3 | Confident | 57 Ų | 57 | 97 Ų | 97 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 171.4 | -67 | 168.4 | 0 | 0 | 0 | 110.3 | I280 L281 R286 Y287 C288 | I280-I284 HydrophobicContact CG2-CD1 3.84Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.41Å; L281-I284 PolarHBondContact O-N 3.49Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.45Å; I284-Y287 PolarHBondContact O-N 3.34Å; I284-C288 PolarHBondContact O-N 3.03Å; I284-C288 PolarHBondContact O-SG 2.88Å; I284-C288 VanDerWaalsContact O-SG 3.36Å |
| 285 | C | 74.2 | Confident | 69.6 | Low | 39 Ų | 39 | 96.7 Ų | 96.7 | 26% | 0.264 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.5 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | L281 R282 C288 Q289 | L281-C285 WeakPolarHBondContact O-CB 2.89Å; L281-C285 PolarHBondContact O-N 3.22Å; L281-C285 PolarHBondContact O-SG 2.76Å; L281-C285 VanDerWaalsContact O-SG 3.33Å; R282-C285 PolarHBondContact O-N 3.33Å; C285-C288 PolarHBondContact O-N 3.21Å; C285-Q289 WeakPolarHBondContact O-CG 2.99Å; C285-Q289 PolarHBondContact O-N 2.9Å |
| 286 | R | 75.1 | Confident | 67.7 | Low | 134 Ų | 134 | 96.8 Ų | 96.8 | 51% | 0.506 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.5 | -173.4 | -172.7 | 178.7 | 175.9 | 2.4 | 111.3 | R282 E283 I284 Q289 Q290 | R282-R286 WeakPolarHBondContact O-CB 3.48Å; R282-R286 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 3.38Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.45Å; R286-Q289 PolarHBondContact O-N 3.32Å; R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 WeakPolarHBondContact O-CG 3.23Å; R286-Q290 PolarHBondContact O-N 3.33Å |
| 287 | Y | 68.5 | Low | 65.8 | Low | 131 Ų | 131 | 99 Ų | 99 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.7 | -104 | -84.4 | 0 | 0 | 0 | 111.8 | E283 I284 Q289 Q290 W291 | E283-Y287 HydrophobicContact CG-CD2 4.4Å; E283-Y287 PolarHBondContact O-N 3.4Å; I284-Y287 PolarHBondContact O-N 3.34Å; Y287-Q289 VanDerWaalsContact C-N 3.29Å; Y287-Q289 PolarHBondContact O-N 3.46Å; Y287-Q290 PolarHBondContact O-N 3.44Å; Y287-W291 AromaticContact CD1-CD1 3.83Å; Y287-W291 AromaticContact CD1-NE1 3.83Å; Y287-W291 WeakPolarHBondContact O-CB 3.45Å; Y287-W291 PolarHBondContact O-N 3.22Å |
| 288 | C | 70.7 | Confident | 64 | Low | 79 Ų | 79 | 105 Ų | 105 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 176 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | I284 C285 | I284-C288 PolarHBondContact O-N 3.03Å; I284-C288 PolarHBondContact O-SG 2.88Å; I284-C288 VanDerWaalsContact O-SG 3.36Å; C285-C288 PolarHBondContact O-N 3.21Å |
| 289 | Q | 74.3 | Confident | 62.2 | Low | 150 Ų | 150 | 104.8 Ų | 104.8 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.9 | -44.8 | 176.1 | -73.2 | 175.4 | 2.5 | 0 | 0 | 112.3 | C285 R286 Y287 W291 N292 | C285-Q289 WeakPolarHBondContact O-CG 2.99Å; C285-Q289 PolarHBondContact O-N 2.9Å; R286-Q289 PolarHBondContact O-N 3.32Å; Y287-Q289 VanDerWaalsContact C-N 3.29Å; Y287-Q289 PolarHBondContact O-N 3.46Å; Q289-W291 VanDerWaalsContact C-N 3.25Å; Q289-W291 PolarHBondContact O-N 3.15Å; Q289-N292 PolarHBondContact O-N 3Å |
| 290 | Q | 72.6 | Confident | 60.2 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -35.8 | 179.1 | -81.1 | -175.4 | -13.5 | 0 | 0 | 112.3 | R286 Y287 N292 | R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 WeakPolarHBondContact O-CG 3.23Å; R286-Q290 PolarHBondContact O-N 3.33Å; Y287-Q290 PolarHBondContact O-N 3.44Å; Q290-N292 VanDerWaalsContact C-N 3.31Å; Q290-N292 PolarHBondContact O-N 3.11Å |
| 291 | W | 61.6 | Low | 58.2 | Low | 173 Ų | 173 | 114.5 Ų | 114.5 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -7.2 | -174.9 | -85.9 | 87.2 | 0 | 0 | 0 | 114.5 | Y287 Q289 V293 | Y287-W291 AromaticContact CD1-CD1 3.83Å; Y287-W291 AromaticContact CD1-NE1 3.83Å; Y287-W291 WeakPolarHBondContact O-CB 3.45Å; Y287-W291 PolarHBondContact O-N 3.22Å; Q289-W291 VanDerWaalsContact C-N 3.25Å; Q289-W291 PolarHBondContact O-N 3.15Å; W291-V293 HydrophobicContact CB-CG2 3.86Å; W291-V293 WeakPolarHBondContact O-CG2 3.22Å; W291-V293 PolarHBondContact O-N 3.34Å |
| 292 | N | 51.3 | Low | 56.3 | Low | 102 Ų | 102 | 119.7 Ų | 119.7 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 41.1 | 32.5 | 179.6 | -155.8 | 33.9 | 0 | 0 | 0 | 113 | Q289 Q290 L294 | Q289-N292 PolarHBondContact O-N 3Å; Q290-N292 VanDerWaalsContact C-N 3.31Å; Q290-N292 PolarHBondContact O-N 3.11Å; N292-L294 PolarHBondContact O-N 3.46Å; N292-L294 PolarHBondContact OD1-O 3.17Å |
| 293 | V | 53 | Low | 54.4 | Low | 120 Ų | 120 | 118.5 Ų | 118.5 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -76.2 | -5.1 | -178 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | W291 | W291-V293 HydrophobicContact CB-CG2 3.86Å; W291-V293 WeakPolarHBondContact O-CG2 3.22Å; W291-V293 PolarHBondContact O-N 3.34Å | ||
| 294 | L | 47 | Very low | 52.3 | Low | 142 Ų | 142 | 119.8 Ų | 119.8 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -93.5 | 102.8 | 160.1 | -76.6 | 153.4 | 0 | 0 | 0 | 107.4 | N292 T296 | N292-L294 PolarHBondContact O-N 3.46Å; N292-L294 PolarHBondContact OD1-O 3.17Å; L294-T296 PolarHBondContact O-N 3.33Å |
| 295 | G | 39.2 | Very low | 50.4 | Low | 57 Ų | 57 | 122.1 Ų | 122.1 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | -37.2 | 131.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L297 | G295-L297 PolarHBondContact O-N 3.25Š| ||
| 296 | T | 38.4 | Very low | 48.2 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | trans | -23.5 | 102.7 | 161.4 | 50 | 0 | 0 | 0 | 0 | 113.9 | L294 | L294-T296 PolarHBondContact O-N 3.33Š| ||
| 297 | L | 39 | Very low | 46.2 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -97.9 | 110.3 | 143.5 | -86.7 | 107.6 | 0 | 0 | 0 | 107.5 | G295 G299 | G295-L297 PolarHBondContact O-N 3.25Å; L297-G299 PolarHBondContact O-N 2.9Å | ||
| 298 | P | 39.3 | Very low | 44.5 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 116.7 | 168.3 | 28.7 | -28.3 | 0 | 0 | 0 | 108 | ||
| 299 | G | 37.7 | Very low | 42.5 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.4 | 2.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | L297 | L297-G299 PolarHBondContact O-N 2.9Š|
| 300 | Q | 38.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -114.9 | 103.6 | 173.2 | -75.9 | -110.4 | -35.5 | 0 | 0 | 110.6 | I302 | Q300-I302 PolarHBondContact O-N 3.17Å; Q300-I302 VanDerWaalsContact O-N 3.12Å | ||
| 301 | Q | 35.3 | Very low | 38.8 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -60.5 | 108.1 | 159.8 | -79.7 | -177.1 | -46.8 | 0 | 0 | 107.8 | T303 | Q301-T303 PolarHBondContact O-N 3.12Š| ||
| 302 | I | 37.8 | Very low | 37.4 | Very low | 147 Ų | 147 | 125 Ų | 125 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -81.1 | 100 | 167.8 | -54.7 | 177.3 | 0 | 0 | 0 | 106.5 | Q300 | Q300-I302 PolarHBondContact O-N 3.17Å; Q300-I302 VanDerWaalsContact O-N 3.12Å | ||
| 303 | T | 38.2 | Very low | 36.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | -62.2 | 127.8 | 168.2 | 33.9 | 0 | 0 | 0 | 0 | 110.4 | Q301 | Q301-T303 PolarHBondContact O-N 3.12Š| ||
| 304 | S | 32.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 7.2 | 111 | 162.6 | 57.5 | 0 | 0 | 0 | 0 | 117.3 | A306 | S304-A306 PolarHBondContact O-N 2.93Š| ||
| 305 | V | 32.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | trans | -72 | 109.5 | 166.6 | -169.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 306 | A | 29.3 | Very low | 34.6 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S304 | S304-A306 PolarHBondContact O-N 2.93Š|
| 307 | Y | 32.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 59% | 0.592 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 117.4 | 172.3 | -82.2 | -89.7 | 0 | 0 | 0 | 109.7 | ||
| 308 | S | 33.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.5 | 164.3 | -26.4 | 0 | 0 | 0 | 0 | 109 | ||
| 309 | Q | 29.2 | Very low | 34 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 148.4 | 172.8 | -77.5 | 176.7 | -29.3 | 0 | 0 | 111.1 | A311 | Q309-A311 PolarHBondContact O-N 3.37Š|
| 310 | P | 35.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 132 | 174.5 | 26.3 | -31.2 | 0 | 0 | 0 | 109.9 | T312 | P310-T312 PolarHBondContact O-N 2.89Š|
| 311 | A | 33.3 | Very low | 33.5 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q309 M313 | Q309-A311 PolarHBondContact O-N 3.37Å; A311-M313 PolarHBondContact O-N 2.94Å; A311-M313 VanDerWaalsContact O-N 3.09Å |
| 312 | T | 32.5 | Very low | 33.5 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -54.2 | 112.3 | 165.5 | 34.7 | 0 | 0 | 0 | 0 | 108.8 | P310 H314 | P310-T312 PolarHBondContact O-N 2.89Å; T312-H314 PolarHBondContact O-N 3.31Å; T312-H314 VanDerWaalsContact O-N 3.12Å | ||
| 313 | M | 30.8 | Very low | 33.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 93% | 0.931 | 78% | 0.775 | S | S | * | * | trans | -64.5 | 113.7 | 163.6 | -88.3 | -158.5 | -75.9 | 0 | 0 | 108.1 | A311 N315 | A311-M313 PolarHBondContact O-N 2.94Å; A311-M313 VanDerWaalsContact O-N 3.09Å; M313-N315 PolarHBondContact O-N 3.03Å | ||
| 314 | H | 32.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -65 | 123.2 | 173.1 | -166.4 | 80.1 | 0 | 0 | 0 | 108.7 | T312 P316 | T312-H314 PolarHBondContact O-N 3.31Å; T312-H314 VanDerWaalsContact O-N 3.12Å; H314-P316 WeakPolarHBondContact O-CD 3.27Å | ||
| 315 | N | 33.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -92.7 | 110.5 | 173.9 | -173.4 | 10 | 0 | 0 | 0 | 109 | M313 F317 | M313-N315 PolarHBondContact O-N 3.03Å; N315-F317 VanDerWaalsContact C-N 3.28Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact O-N 3.1Å | ||
| 316 | P | 34 | Very low | 33.8 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 71.7 | 173.6 | 35.2 | -32.6 | 0 | 0 | 0 | 110 | H314 | H314-P316 WeakPolarHBondContact O-CD 3.27Š| ||
| 317 | F | 34.4 | Very low | 34.2 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -139.1 | 62.6 | 157.9 | -93.3 | -81.7 | 0 | 0 | 0 | 108.7 | N315 | N315-F317 VanDerWaalsContact C-N 3.28Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact O-N 3.1Å | ||
| 318 | Q | 34.9 | Very low | 34.3 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -114.8 | 104.7 | 152.2 | -84.3 | -154.2 | -10.5 | 0 | 0 | 107.3 | ||||
| 319 | Q | 35.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -106.1 | 123 | 160.1 | -88.1 | -174.4 | 0.2 | 0 | 0 | 108.9 | ||||
| 320 | Q | 34.3 | Very low | 35.3 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 68.1 | 85.2 | 155.1 | -71.7 | 171.8 | -12 | 0 | 0 | 117.9 | ||||
| 321 | Q | 31.7 | Very low | 35.7 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 120.8 | 134.7 | -80.2 | 178.1 | -17.2 | 0 | 0 | 108.5 | ||||
| 322 | V | 34.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -119.5 | 108.6 | 153.8 | -179 | 0 | 0 | 0 | 0 | 106.1 | I324 | V322-I324 HydrophobicContact CG1-CD1 4.16Å; V322-I324 HydrophobicContact CG1-CG1 4.03Å | ||
| 323 | N | 32 | Very low | 36.4 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -120 | 100 | 161.9 | -161.4 | 10.6 | 0 | 0 | 0 | 105.3 | ||||
| 324 | I | 40 | Very low | 36.9 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -122.6 | 107.6 | 172.4 | -62.2 | 178.3 | 0 | 0 | 0 | 106.8 | V322 | V322-I324 HydrophobicContact CG1-CD1 4.16Å; V322-I324 HydrophobicContact CG1-CG1 4.03Å | ||
| 325 | A | 38.6 | Very low | 37.1 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 132.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 326 | G | 38.5 | Very low | 37.4 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 129.7 | 97.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 327 | G | 37.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 62.1 | 94.7 | 133.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 328 | Q | 35.3 | Very low | 37.7 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | 48.9 | 105.4 | 118.2 | -85.7 | -171.7 | -4.5 | 0 | 0 | 119.9 | |||||
| 329 | H | 40.6 | Very low | 37.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | 169.7 | 117.2 | 105.4 | -112.9 | -125.6 | 0 | 0 | 0 | 110 | |||||
| 330 | V | 43.6 | Very low | 37.8 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | 68.9 | 109.8 | 103.2 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 331 | V | 41.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | -177.3 | 131.7 | 77.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 332 | L | 43.5 | Very low | 38.1 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 45 | 146.5 | 152.2 | -78.4 | 90.5 | 0 | 0 | 0 | 127.1 | ||||
| 333 | P | 37.4 | Very low | 38.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -113.7 | 170.3 | -171.4 | 42.1 | -27.6 | 0 | 0 | 0 | 115.4 | ||||
| 334 | G | 41.1 | Very low | 37.8 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 173.5 | 111.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 335 | Q | 37.7 | Very low | 37.6 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 139.2 | 153.3 | -69.9 | -174.2 | -74.2 | 0 | 0 | 119.4 | ||||
| 336 | Q | 39.5 | Very low | 37.1 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -163.8 | 139.9 | 11.8 | -128.5 | 168.2 | -16.3 | 0 | 0 | 110.5 | ||||
| 337 | D | 38.8 | Very low | 36.7 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 42.8 | 107.6 | 152.9 | -85.1 | -45.9 | 0 | 0 | 0 | 123.5 | ||||
| 338 | H | 36.4 | Very low | 36.3 | Very low | 196 Ų | 196 | 142 Ų | 142 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -97.7 | 143.8 | 149.7 | -88.1 | -87.6 | 0 | 0 | 0 | 109.4 | ||||
| 339 | G | 33.9 | Very low | 36.1 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 152.5 | 108.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 340 | S | 38.6 | Very low | 35.6 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | 145.8 | 125.6 | 114.5 | -63 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 341 | Q | 31.8 | Very low | 35 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 149.6 | 171.8 | -66.9 | 170.5 | -36.3 | 0 | 0 | 111.7 | L343 | Q341-L343 PolarHBondContact O-N 2.7Š| ||
| 342 | P | 39.5 | Very low | 34.5 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 108.8 | 162.8 | 30.3 | -27.5 | 0 | 0 | 0 | 110.4 | ||||
| 343 | L | 33.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 122 | 155.9 | -131.3 | 82.7 | 0 | 0 | 0 | 107.5 | Q341 T345 | Q341-L343 PolarHBondContact O-N 2.7Å; L343-T345 HydrophobicContact CD2-CG2 4.22Å; L343-T345 PolarHBondContact O-N 3.13Å; L343-T345 VanDerWaalsContact O-N 3.15Å | ||
| 344 | M | 27.3 | Very low | 33.8 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 98% | 0.975 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 96.3 | 166.3 | -81.4 | -173.5 | 174.8 | 0 | 0 | 108.7 | ||||
| 345 | T | 34.4 | Very low | 33.5 | Very low | 110 Ų | 110 | 146 Ų | 146 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -86.1 | 145.9 | 169.8 | 42.2 | 0 | 0 | 0 | 0 | 111.7 | L343 | L343-T345 HydrophobicContact CD2-CG2 4.22Å; L343-T345 PolarHBondContact O-N 3.13Å; L343-T345 VanDerWaalsContact O-N 3.15Å | ||
| 346 | N | 29 | Very low | 33.4 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -17.7 | 130.1 | 164.3 | -102.7 | -37.4 | 0 | 0 | 0 | 116.1 | D348 | N346-D348 PolarHBondContact O-N 3.07Š| ||
| 347 | V | 30.5 | Very low | 33.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 107.3 | 161.2 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | I349 | V347-I349 HydrophobicContact CG1-CD1 4.47Å; V347-I349 HydrophobicContact CG1-CG1 4.04Å | ||
| 348 | D | 27.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 116.6 | 171.4 | -164.4 | -9.5 | 0 | 0 | 0 | 108.1 | N346 | N346-D348 PolarHBondContact O-N 3.07Š| ||
| 349 | I | 31.2 | Very low | 33.1 | Very low | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -103.9 | 103.4 | 175.3 | -59.3 | 178.4 | 0 | 0 | 0 | 108 | V347 | V347-I349 HydrophobicContact CG1-CD1 4.47Å; V347-I349 HydrophobicContact CG1-CG1 4.04Å | ||
| 350 | K | 29.4 | Very low | 33.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -85.1 | 114.9 | 174.8 | -130.8 | 163.7 | -175.5 | 170.5 | 0 | 109.5 | ||||
| 351 | V | 32 | Very low | 33.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 131.3 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 352 | P | 30.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.3 | -179.5 | 18.8 | -10.6 | 0 | 0 | 0 | 111.3 | ||
| 353 | L | 31.6 | Very low | 33.2 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 124.7 | 162.5 | -72.4 | 169.7 | 0 | 0 | 0 | 109 | ||
| 354 | L | 35.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.3 | 165.2 | -82.5 | 97.6 | 0 | 0 | 0 | 110.2 | ||
| 355 | P | 34.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91 | 134.4 | 170.7 | 34.3 | -27.6 | 0 | 0 | 0 | 110.5 | ||
| 356 | S | 34.9 | Very low | 33.6 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -122.2 | 118.8 | 160.3 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 357 | S | 37.4 | Very low | 33.9 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -88 | 153.9 | -176.4 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 358 | G | 36.4 | Very low | 34.1 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 107.1 | 132.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 359 | G | 35.2 | Very low | 34.7 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 157 | 116.9 | 4.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 360 | I | 37.2 | Very low | 34.9 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 138.4 | 146 | -48 | -170.5 | 0 | 0 | 0 | 120.2 | ||||
| 361 | P | 35 | Very low | 35.1 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -110.3 | 169.4 | -163.3 | 40.4 | -27 | 0 | 0 | 0 | 114.5 | ||||
| 362 | V | 40.1 | Very low | 35.4 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -144.6 | 138.4 | 165.1 | -159.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 363 | S | 35.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -50 | 173 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 364 | Q | 34.6 | Very low | 35.5 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | cis | -179.5 | 149.8 | 34.8 | -142.1 | 170 | -4 | 0 | 0 | 110.8 | ||||
| 365 | A | 32.5 | Very low | 35.2 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 125.1 | 137.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 366 | N | 35.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 81.8 | 136.1 | 135.4 | -65 | 1.5 | 0 | 0 | 0 | 119.4 | ||||
| 367 | A | 36.2 | Very low | 35 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | cis | -156.2 | 155.6 | 13.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 368 | L | 33.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -76.6 | -172.1 | 173.8 | -85.1 | 130.2 | 0 | 0 | 0 | 113.5 | ||||
| 369 | P | 41.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | -136.1 | 175.7 | -37.2 | 30.7 | -12.3 | 0 | 0 | 0 | 113.3 | ||||
| 370 | N | 35.6 | Very low | 34.1 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -143.9 | 130.6 | 141.8 | -144.6 | 0.8 | 0 | 0 | 0 | 111.9 | ||||
| 371 | V | 33.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -101.5 | 138.5 | -172.6 | 168.7 | 0 | 0 | 0 | 0 | 109.1 | E373 | V371-E373 HydrophobicContact CG1-CG 3.95Š| ||
| 372 | Q | 37.8 | Very low | 33.7 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -145.8 | 118.4 | 149.8 | -165.3 | 161.9 | -11.2 | 0 | 0 | 109.8 | ||||
| 373 | E | 31 | Very low | 33.3 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 152.4 | -170.4 | -61.5 | 173.4 | 148 | 0 | 0 | 113.4 | V371 | V371-E373 HydrophobicContact CG1-CG 3.95Š| ||
| 374 | N | 33 | Very low | 33.2 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -142.9 | 131.6 | 154.4 | -166.2 | 20.9 | 0 | 0 | 0 | 109.4 | ||||
| 375 | P | 29.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -108.3 | 82.9 | -160.5 | 37.1 | -25 | 0 | 0 | 0 | 112.7 | ||||
| 376 | W | 31.8 | Very low | 33.1 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 20.9 | 173.9 | -69.8 | 102.2 | 0 | 0 | 0 | 116.5 | ||||
| 377 | T | 32.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -103.9 | 98.7 | 178.5 | 26.1 | 0 | 0 | 0 | 0 | 112.3 | Q379 | T377-Q379 PolarHBondContact O-N 3.34Š| ||
| 378 | V | 27.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -76.2 | 105.6 | 161.3 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | V380 | V378-V380 HydrophobicContact CG1-CG2 4.23Š| ||
| 379 | Q | 32 | Very low | 32.9 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -77.7 | 116 | 167.1 | -83.3 | 180 | -39.7 | 0 | 0 | 109.3 | T377 | T377-Q379 PolarHBondContact O-N 3.34Š| ||
| 380 | V | 31.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 143 Ų | 143 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -97.4 | 127.1 | 164.9 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | V378 L382 | V378-V380 HydrophobicContact CG1-CG2 4.23Å; V380-L382 PolarHBondContact O-N 2.9Å | ||
| 381 | P | 31.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 112.4 | -179.7 | 27.8 | -29.6 | 0 | 0 | 0 | 110.2 | G383 | P381-G383 PolarHBondContact O-N 3.24Š| ||
| 382 | L | 31.6 | Very low | 32.5 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 84.2 | 165.3 | -71.9 | 172.4 | 0 | 0 | 0 | 108.8 | V380 | V380-L382 PolarHBondContact O-N 2.9Š| ||
| 383 | G | 31.8 | Very low | 32.4 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -105.5 | 102.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | P381 | P381-G383 PolarHBondContact O-N 3.24Š| ||
| 384 | W | 33.4 | Very low | 32.6 | Very low | 236 Ų | 236 | 136.2 Ų | 136.2 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -142.6 | 113.1 | 163.6 | -152.4 | -4 | 0 | 0 | 0 | 109.7 | ||||
| 385 | D | 34.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | -82.1 | 121.1 | 170.2 | 58 | -19.7 | 0 | 0 | 0 | 109.3 | T387 | D385-T387 PolarHBondContact O-N 3.24Š| ||
| 386 | G | 30 | Very low | 33 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 97.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 387 | T | 36.7 | Very low | 33 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -149.9 | 147.9 | 155.3 | 38.3 | 0 | 0 | 0 | 0 | 111.7 | D385 | D385-T387 PolarHBondContact O-N 3.24Š| ||
| 388 | V | 34.5 | Very low | 33 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | 96.7 | 93.8 | 166.5 | -160.6 | 0 | 0 | 0 | 0 | 116.5 | Q390 | V388-Q390 HydrophobicContact CG1-CB 4.31Å; V388-Q390 PolarHBondContact O-N 2.96Å | ||
| 389 | A | 30.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -58.7 | 105.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 390 | Q | 31.8 | Very low | 33 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 161.6 | 77.5 | 158.4 | -95 | 166 | -10.9 | 0 | 0 | 108.7 | V388 | V388-Q390 HydrophobicContact CG1-CB 4.31Å; V388-Q390 PolarHBondContact O-N 2.96Å | ||
| 391 | D | 33.2 | Very low | 33.1 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -152.5 | 87.1 | 148.4 | -117.8 | -19.6 | 0 | 0 | 0 | 107.7 | ||||
| 392 | L | 35.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 135 Ų | 135 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | 73.8 | 87.4 | 81.1 | -157.4 | 75.5 | 0 | 0 | 0 | 111.1 | N394 | L392-N394 PolarHBondContact O-N 2.86Š| |||
| 393 | S | 37.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | S | Bend | 44.7 | 17.5 | 128.9 | 51.5 | 0 | 0 | 0 | 0 | 121.5 | |||
| 394 | N | 35.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -116.9 | 7.5 | -176.4 | -76.6 | -19.8 | 0 | 0 | 0 | 114.9 | L392 Q396 | L392-N394 PolarHBondContact O-N 2.86Å; N394-Q396 PolarHBondContact O-N 3.36Å | ||
| 395 | A | 33 | Very low | 33.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 7.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A397 | A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.25Å |
| 396 | Q | 37.8 | Very low | 33.6 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 13.8 | 176 | -73.4 | -163.4 | -44.8 | 0 | 0 | 114.5 | N394 | N394-Q396 PolarHBondContact O-N 3.36Š|
| 397 | A | 31.7 | Very low | 34 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | trans | -126 | 53.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A395 | A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.25Å | ||
| 398 | L | 31.7 | Very low | 33.9 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -135.2 | 64.6 | 158.1 | -98.8 | 105 | 0 | 0 | 0 | 109.5 | ||||
| 399 | S | 30.8 | Very low | 33.9 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -127.5 | 137.4 | 157.2 | 46.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 400 | L | 28.7 | Very low | 34.2 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 94.5 | 142.5 | -167.7 | -73.8 | 78.5 | 0 | 0 | 0 | 115.4 | ||||
| 401 | I | 33.6 | Very low | 34.1 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | 89.5 | 104.3 | -171.4 | -48.1 | 162.3 | 0 | 0 | 0 | 110.1 | ||||
| 402 | Q | 33.6 | Very low | 34.5 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | -164.3 | 120.2 | 21.1 | -128.7 | 163.8 | -22.7 | 0 | 0 | 109.5 | ||||
| 403 | E | 31.3 | Very low | 34.5 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 133.1 | 156.5 | -87.1 | -174.7 | 136.7 | 0 | 0 | 109 | ||||
| 404 | T | 39.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -174.4 | 131.4 | 155.9 | 29.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 405 | N | 33.2 | Very low | 34.2 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | cis | -174.2 | 140.5 | 2.3 | -179.8 | -7.9 | 0 | 0 | 0 | 106.1 | ||||
| 406 | P | 36.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -106.7 | 138.7 | -177.9 | 36.4 | -27.3 | 0 | 0 | 0 | 113.7 | ||||
| 407 | V | 38.1 | Very low | 34 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -146.6 | 112.3 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 408 | S | 33.4 | Very low | 34.2 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 57.4 | 121.9 | 134.7 | -158.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 409 | L | 34.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | -175 | 115.9 | 99.7 | -109.6 | 102.4 | 0 | 0 | 0 | 112.6 | |||||
| 410 | V | 37.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 72.6 | 105.2 | 132.6 | -171.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 411 | H | 30.7 | Very low | 35 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -75.6 | -169.8 | 155.2 | -102.9 | 88.6 | 0 | 0 | 0 | 111.6 | ||||
| 412 | P | 40.1 | Very low | 35 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -140.9 | 176.2 | -12.5 | 21.8 | 4.6 | 0 | 0 | 0 | 114.3 | ||||
| 413 | L | 35.8 | Very low | 35.4 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | 156 | 129.5 | 121 | -110.7 | 75.3 | 0 | 0 | 0 | 115.1 | |||||
| 414 | A | 35.8 | Very low | 35.7 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 74.1 | 82.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 415 | N | 30.2 | Very low | 35.8 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | 24.2 | 112.3 | 108.9 | -148.2 | -3.1 | 0 | 0 | 0 | 119.9 | |||||
| 416 | F | 32.7 | Very low | 36.1 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | 178.4 | 132.3 | 145.9 | -93 | -73.3 | 0 | 0 | 0 | 104.1 | ||||
| 417 | K | 34.5 | Very low | 36 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -179.7 | 119.4 | 50.3 | -154.8 | 169.2 | -176.4 | 176.9 | 0 | 107.4 | |||||
| 418 | N | 35.3 | Very low | 36 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -101.3 | 121.2 | 153.2 | -98.4 | -28.5 | 0 | 0 | 0 | 105.6 | ||||
| 419 | Q | 36.1 | Very low | 36.4 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 171.7 | 130 | 131.4 | -93.9 | 173.3 | 15.1 | 0 | 0 | 110.4 | ||||
| 420 | A | 36.6 | Very low | 36.6 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -84.4 | 160.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 421 | K | 34.9 | Very low | 36.8 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 94.1 | 130.8 | 136.3 | -139.1 | -177.6 | 179.4 | -179.5 | 0 | 118.5 | ||||
| 422 | T | 34.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 141 Ų | 141 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 107.7 | 147.9 | 31.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 423 | D | 41.4 | Very low | 37.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | 175.4 | 132.5 | 91 | -79.8 | -37 | 0 | 0 | 0 | 110.2 | |||||
| 424 | D | 37.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 142.3 | 166.2 | -174.3 | 16.2 | 0 | 0 | 0 | 108.4 | T426 | D424-T426 PolarHBondContact OD1-N 3.37Å; D424-T426 VanDerWaalsContact OD1-N 3.08Å | ||
| 425 | P | 42.1 | Very low | 38.2 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | -145.6 | 133.3 | 112.7 | 33.2 | -15.6 | 0 | 0 | 0 | 114.6 | |||||
| 426 | T | 39.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 31.2 | 120.5 | 135.4 | 57.1 | 0 | 0 | 0 | 0 | 118.6 | D424 | D424-T426 PolarHBondContact OD1-N 3.37Å; D424-T426 VanDerWaalsContact OD1-N 3.08Å | ||
| 427 | G | 35.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 166.4 | 89.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 428 | V | 36.9 | Very low | 39.7 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 55.2 | 114.1 | 134.6 | -169.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 429 | V | 41.7 | Very low | 40 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | -152.6 | 122.7 | 116.9 | -166.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 430 | D | 39.8 | Very low | 40.5 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -61 | 151.9 | 176.4 | -82.3 | -69.5 | 0 | 0 | 0 | 116 | ||||
| 431 | N | 42.4 | Very low | 41.4 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -137.3 | 99.8 | 151.8 | -130.2 | -4.8 | 0 | 0 | 0 | 110.5 | ||||
| 432 | Q | 42.1 | Very low | 41.7 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 32.8 | 114.1 | 151.7 | -59.7 | -156.5 | -22.6 | 0 | 0 | 120.6 | ||||
| 433 | Q | 45.2 | Very low | 42.1 | Very low | 203 Ų | 203 | 135.2 Ų | 135.2 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | -164.2 | 127.8 | 115.4 | -110.3 | 178.7 | -6.8 | 0 | 0 | 111.5 | |||||
| 434 | A | 40.7 | Very low | 42.1 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -102.1 | 133.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 435 | V | 43.3 | Very low | 42.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -168.6 | 129.5 | 143.9 | -172.7 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 436 | G | 40.8 | Very low | 42.4 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 85% | 0.847 | S | S | * | * | cis | 149.7 | 132.8 | 11 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 437 | A | 44.8 | Very low | 42.6 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | trans | 68.1 | 148.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 438 | A | 43.8 | Very low | 43.1 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 66% | 0.661 | 86% | 0.86 | S | S | * | * | cis | -176.2 | 136.3 | -13.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 439 | I | 40.7 | Very low | 43.6 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 71% | 0.713 | 87% | 0.866 | S | S | * | * | trans | 54.3 | 118 | 138.5 | -47.2 | 168.1 | 0 | 0 | 0 | 119.1 | ||||
| 440 | F | 47.6 | Very low | 43.7 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 89% | 0.886 | 86% | 0.863 | S | S | * | * | 172.7 | 142.7 | 111.6 | -100.9 | -76.8 | 0 | 0 | 0 | 111.8 | |||||
| 441 | A | 53.4 | Low | 44.1 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 100% | 1.455 | 87% | 0.873 | S | S | * | * | trans | 89 | 0 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 |
Retrieved 441 of 441 residues in 261.6 ms
(Link to these results)