| 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 | 64.3 | Low | 65.4 | Low | 221 Ų | 221 | 157.9 Ų | 157.9 | 100% | 1.089 | 85% | 0.854 | S | S | * | * | 0 | 92.3 | 0 | -68.8 | -78 | -98.6 | 0 | 0 | 108.4 | |||||
| 2 | H | 59 | Low | 65.1 | Low | 198 Ų | 198 | 165.5 Ų | 165.5 | 92% | 0.917 | 86% | 0.862 | S | S | * | * | trans | -89.4 | 108.9 | 178.6 | -73.1 | -125.8 | 0 | 0 | 0 | 108 | ||||
| 3 | L | 70.7 | Confident | 64.8 | Low | 166 Ų | 166 | 161.6 Ų | 161.6 | 87% | 0.869 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 120 | 175.8 | -64.8 | 174.4 | 0 | 0 | 0 | 109 | R5 | L3-R5 PolarHBondContact O-N 3.48Š|
| 4 | A | 64.6 | Low | 64.8 | Low | 100 Ų | 100 | 166.2 Ų | 166.2 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 5 | R | 72.4 | Confident | 64.2 | Low | 230 Ų | 230 | 163.7 Ų | 163.7 | 87% | 0.868 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 131 | 176.6 | -172.8 | 176.6 | -174.9 | 165.1 | 1.8 | 109.7 | L3 K7 | L3-R5 PolarHBondContact O-N 3.48Å; R5-K7 PolarHBondContact O-N 3.43Å |
| 6 | P | 69.4 | Low | 63.8 | Low | 119 Ų | 119 | 158.9 Ų | 158.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130 | 172.9 | -20.6 | 30.7 | 0 | 0 | 0 | 110.2 | S8 | P6-S8 PolarHBondContact O-N 3.42Š|
| 7 | K | 70.8 | Confident | 63.1 | Low | 205 Ų | 205 | 157.4 Ų | 157.4 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120 | 173.2 | -65.3 | -123.7 | -83 | -175.8 | 0 | 108.1 | R5 S9 | R5-K7 PolarHBondContact O-N 3.43Å; K7-S9 PolarHBondContact O-N 2.9Å |
| 8 | S | 64 | Low | 62.1 | Low | 113 Ų | 113 | 156.6 Ų | 156.6 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 132.6 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | P6 K10 | P6-S8 PolarHBondContact O-N 3.42Å; S8-K10 PolarHBondContact O-N 2.78Å |
| 9 | S | 59.9 | Low | 61.3 | Low | 110 Ų | 110 | 153.6 Ų | 153.6 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.2 | 176.5 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | K7 G11 | K7-S9 PolarHBondContact O-N 2.9Å; S9-G11 PolarHBondContact O-N 3.38Å |
| 10 | K | 62.4 | Low | 60.9 | Low | 206 Ų | 206 | 154.4 Ų | 154.4 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | trans | -43.1 | 124.8 | 174.7 | -144.9 | 105.4 | 176.2 | 176.4 | 0 | 109.9 | S8 R12 | S8-K10 PolarHBondContact O-N 2.78Å; K10-R12 PolarHBondContact O-N 2.75Å | ||
| 11 | G | 61.7 | Low | 60.3 | Low | 69 Ų | 69 | 154.2 Ų | 154.2 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -51.1 | 134.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S9 S13 | S9-G11 PolarHBondContact O-N 3.38Å; G11-S13 PolarHBondContact O-N 3.48Å | ||
| 12 | R | 62.6 | Low | 59.2 | Low | 249 Ų | 249 | 151.8 Ų | 151.8 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | -55.6 | 112.2 | 169.9 | -87.1 | 177.6 | 159.5 | -171.3 | -6 | 108.7 | K10 | K10-R12 PolarHBondContact O-N 2.75Š| ||
| 13 | S | 60.6 | Low | 58.7 | Low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.6 | 166.6 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | G11 | G11-S13 PolarHBondContact O-N 3.48Š|
| 14 | R | 65.3 | Low | 57.2 | Low | 226 Ų | 226 | 144.4 Ų | 144.4 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 134.4 | 172 | -68.6 | -175.6 | 169.3 | -157.7 | -2.7 | 108.1 | A16 | R14-A16 PolarHBondContact O-N 3.11Š|
| 15 | P | 55.8 | Low | 55.7 | Low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123 | 167.5 | 27.1 | -30.4 | 0 | 0 | 0 | 108.5 | ||
| 16 | A | 56.8 | Low | 54.3 | Low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | R14 D18 | R14-A16 PolarHBondContact O-N 3.11Å; A16-D18 PolarHBondContact O-N 3.05Å |
| 17 | V | 51.7 | Low | 53.4 | Low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -80 | 110.1 | 164.8 | 125.9 | 0 | 0 | 0 | 0 | 105.7 | S19 | V17-S19 PolarHBondContact O-N 3.08Š| ||
| 18 | D | 45.7 | Very low | 52.2 | Low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -71 | 103.4 | 168.7 | -81.1 | -32.2 | 0 | 0 | 0 | 107.9 | A16 L20 | A16-D18 PolarHBondContact O-N 3.05Å; D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 2.96Å | ||
| 19 | S | 46.4 | Very low | 51.5 | Low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -73 | 90.8 | 166 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | V17 L21 | V17-S19 PolarHBondContact O-N 3.08Å; S19-L21 PolarHBondContact O-N 3.42Å | ||
| 20 | L | 53.8 | Low | 50.8 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -61.7 | 121.8 | 166.3 | -70.9 | 175 | 0 | 0 | 0 | 109.1 | D18 | D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 2.96Å | ||
| 21 | L | 48.5 | Very low | 50.2 | Low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -78.5 | 137.1 | 177.8 | -78.9 | 163.8 | 0 | 0 | 0 | 110.7 | S19 | S19-L21 PolarHBondContact O-N 3.42Š| ||
| 22 | H | 41.5 | Very low | 49.9 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | 98.7 | 151.8 | 157 | -62.5 | -169.7 | 0 | 0 | 0 | 118.4 | ||||
| 23 | P | 48.5 | Very low | 49.2 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | cis | -136.7 | 155.2 | -36.5 | 35.2 | -18.4 | 0 | 0 | 0 | 113.3 | ||||
| 24 | G | 38.8 | Very low | 48.3 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | 101.5 | 130.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 25 | G | 34 | Very low | 47.3 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 129.6 | 88.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 26 | S | 42.7 | Very low | 46.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 35.8 | 108.2 | 138.7 | -44.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 27 | H | 50.8 | Low | 46.3 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 29.8 | 99.1 | 131.3 | -160.1 | -73.6 | 0 | 0 | 0 | 119.2 | ||||
| 28 | I | 45 | Very low | 45.9 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -145.2 | 123.4 | 149.2 | -52.5 | -178 | 0 | 0 | 0 | 109.9 | ||||
| 29 | D | 48.2 | Very low | 45.6 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -49.1 | 131.6 | 167.8 | -112.8 | -44.3 | 0 | 0 | 0 | 112.9 | K31 | D29-K31 PolarHBondContact O-N 3.22Å; D29-K31 VanDerWaalsContact O-N 3.17Å | ||
| 30 | P | 45.2 | Very low | 46.2 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 98.7 | 172.7 | 31.1 | -29.3 | 0 | 0 | 0 | 110.6 | ||||
| 31 | K | 51.4 | Low | 45.7 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.3 | 164.3 | -165.1 | 169.6 | -172.7 | 165.7 | 0 | 109.7 | D29 | D29-K31 PolarHBondContact O-N 3.22Å; D29-K31 VanDerWaalsContact O-N 3.17Å |
| 32 | P | 54.8 | Low | 45.7 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 146.8 | -178.6 | 26.1 | -33.4 | 0 | 0 | 0 | 112.2 | N34 | P32-N34 PolarHBondContact O-N 3.27Š|
| 33 | P | 47.7 | Very low | 46.5 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.9 | -176.9 | 25.9 | -32.1 | 0 | 0 | 0 | 112.2 | Y35 | P33-Y35 WeakPolarHBondContact O-CD2 3.43Å; P33-Y35 WeakPolarHBondContact O-CE2 3.47Å; P33-Y35 PolarHBondContact O-N 3.17Å |
| 34 | N | 41.3 | Very low | 46.7 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 105.5 | 176.6 | -176.4 | -1.9 | 0 | 0 | 0 | 110.4 | P32 Q36 | P32-N34 PolarHBondContact O-N 3.27Å; N34-Q36 PolarHBondContact O-N 3.05Å; N34-Q36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | Y | 44.7 | Very low | 46.9 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -79.9 | 85.1 | 172.7 | -49.9 | -78.5 | 0 | 0 | 0 | 110.3 | P33 L37 | P33-Y35 WeakPolarHBondContact O-CD2 3.43Å; P33-Y35 WeakPolarHBondContact O-CE2 3.47Å; P33-Y35 PolarHBondContact O-N 3.17Å; Y35-L37 VanDerWaalsContact C-N 3.31Å; Y35-L37 PolarHBondContact O-N 3.41Å | ||
| 36 | Q | 42.4 | Very low | 47.7 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 85.2 | 162.8 | -70.8 | -166.7 | 32.1 | 0 | 0 | 109.7 | N34 R38 | N34-Q36 PolarHBondContact O-N 3.05Å; N34-Q36 VanDerWaalsContact O-N 3.11Å; Q36-R38 PolarHBondContact O-N 3.18Å; Q36-R38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | L | 48.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -74.6 | 90.9 | 165.9 | -82.8 | 163.2 | 0 | 0 | 0 | 109.3 | Y35 G39 | Y35-L37 VanDerWaalsContact C-N 3.31Å; Y35-L37 PolarHBondContact O-N 3.41Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.35Å | ||
| 38 | R | 43.2 | Very low | 48.6 | Very low | 227 Ų | 227 | 154.2 Ų | 154.2 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 82.6 | 170.3 | -165.9 | 177.9 | -161.7 | -124.6 | 2.5 | 109.8 | Q36 K40 | Q36-R38 PolarHBondContact O-N 3.18Å; Q36-R38 VanDerWaalsContact O-N 3.08Å; R38-K40 PolarHBondContact O-N 3.41Å | ||
| 39 | G | 41.3 | Very low | 49 | Very low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 116.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | L37 | L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.35Å |
| 40 | K | 57.6 | Low | 49.4 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.1 | 168.1 | -66 | 175.7 | 178.5 | 177.6 | 0 | 109.5 | R38 | R38-K40 PolarHBondContact O-N 3.41Š|
| 41 | P | 43.9 | Very low | 49.9 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.6 | -177.3 | 27.8 | -33.1 | 0 | 0 | 0 | 111.5 | R43 | P41-R43 PolarHBondContact O-N 3.46Š|
| 42 | A | 47.8 | Very low | 50 | Low | 98 Ų | 98 | 155.4 Ų | 155.4 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 128.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R44 | A42-R44 PolarHBondContact O-N 3.21Š|
| 43 | R | 58.4 | Low | 50 | Low | 229 Ų | 229 | 157 Ų | 157 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.7 | 167.7 | -86.9 | -175.6 | 173.8 | -124.3 | 2.1 | 108.5 | P41 W45 | P41-R43 PolarHBondContact O-N 3.46Å; R43-W45 PolarHBondContact O-N 3.24Å |
| 44 | R | 53.2 | Low | 50.2 | Low | 246 Ų | 246 | 159.4 Ų | 159.4 | 93% | 0.928 | 75% | 0.753 | S | S | * | * | trans | -72.3 | 103.9 | 169.9 | -166.4 | -177.8 | -155.4 | -176.5 | 5.7 | 107.5 | A42 N46 | A42-R44 PolarHBondContact O-N 3.21Å; R44-N46 PolarHBondContact O-N 3.33Å | ||
| 45 | W | 43.1 | Very low | 50.5 | Low | 223 Ų | 223 | 158.7 Ų | 158.7 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -67.1 | 127.4 | 173.4 | -81.7 | -53.9 | 0 | 0 | 0 | 110.1 | R43 | R43-W45 PolarHBondContact O-N 3.24Š| ||
| 46 | N | 50.7 | Low | 50.4 | Low | 78 Ų | 78 | 158.3 Ų | 158.3 | 42% | 0.417 | 76% | 0.76 | S | S | . | * | trans | -79.9 | 132.5 | 174.4 | -175.8 | -18.8 | 0 | 0 | 0 | 109.2 | R44 E48 E49 | R44-N46 PolarHBondContact O-N 3.33Å; N46-E48 PolarHBondContact ND2-OE2 3.44Å; N46-E48 PolarHBondContact O-N 3.43Å; N46-E48 PolarHBondContact OD1-N 3.28Å; N46-E48 PolarHBondContact OD1-OE1 3.4Å; N46-E48 PolarHBondContact OD1-OE2 3.05Å; N46-E49 PolarHBondContact O-N 3.2Å | ||
| 47 | K | 54.4 | Low | 50.7 | Low | 169 Ų | 169 | 159 Ų | 159 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -21.1 | 176.1 | -84.3 | -179 | 172 | 178.8 | 0 | 113.7 | ||
| 48 | E | 57.8 | Low | 50.4 | Low | 125 Ų | 125 | 156.5 Ų | 156.5 | 58% | 0.584 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -31.7 | 179.4 | -73.1 | 98 | -124.3 | 0 | 0 | 113.4 | N46 L50 R51 H52 | N46-E48 PolarHBondContact ND2-OE2 3.44Å; N46-E48 PolarHBondContact O-N 3.43Å; N46-E48 PolarHBondContact OD1-N 3.28Å; N46-E48 PolarHBondContact OD1-OE1 3.4Å; N46-E48 PolarHBondContact OD1-OE2 3.05Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.45Å; E48-R51 PolarHBondContact O-N 3.31Å; E48-H52 PolarHBondContact O-CD2 3.33Å |
| 49 | E | 54 | Low | 50.5 | Low | 135 Ų | 135 | 152.6 Ų | 152.6 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -70.8 | -25.7 | 177.2 | -82.3 | -177.1 | 150.4 | 0 | 0 | 113 | N46 R51 | N46-E49 PolarHBondContact O-N 3.2Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.31Å |
| 50 | L | 56.4 | Low | 51.3 | Low | 119 Ų | 119 | 153.5 Ų | 153.5 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -72.1 | -20.9 | 179.7 | -80.8 | 170 | 0 | 0 | 0 | 113.7 | E48 H52 | E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.45Å; L50-H52 VanDerWaalsContact C-N 3.33Å |
| 51 | R | 55.6 | Low | 51.1 | Low | 210 Ų | 210 | 150.5 Ų | 150.5 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -77.1 | -20.8 | -179.8 | -61.8 | -158.9 | -169.5 | -171.1 | 6.2 | 113.3 | E48 E49 | E48-R51 PolarHBondContact O-N 3.31Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.31Å |
| 52 | H | 52.9 | Low | 51.6 | Low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -91 | -4.9 | -178.7 | -67.2 | -75.5 | 0 | 0 | 0 | 113.7 | E48 L50 | E48-H52 PolarHBondContact O-CD2 3.33Å; L50-H52 VanDerWaalsContact C-N 3.33Å |
| 53 | L | 54.6 | Low | 52 | Low | 142 Ų | 142 | 157 Ų | 157 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -101.5 | 9.5 | 176.5 | -66.9 | 176.7 | 0 | 0 | 0 | 113.4 | P55 | L53-P55 VanDerWaalsContact O-CD 3.23Å; L53-P55 WeakPolarHBondContact O-CD 3.23Å |
| 54 | L | 53 | Low | 52.2 | Low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -100.8 | 103.2 | 176.3 | -166.8 | 70 | 0 | 0 | 0 | 109.3 | Q56 | L54-Q56 PolarHBondContact O-N 3.43Š| ||
| 55 | P | 47.3 | Very low | 52.9 | Low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 133.2 | 162.6 | -20.1 | 31.6 | 0 | 0 | 0 | 109.3 | L53 | L53-P55 VanDerWaalsContact O-CD 3.23Å; L53-P55 WeakPolarHBondContact O-CD 3.23Å |
| 56 | Q | 42.4 | Very low | 53.8 | Low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142.1 | 173.8 | -68.5 | -175.3 | 20.1 | 0 | 0 | 111.2 | L54 P58 | L54-Q56 PolarHBondContact O-N 3.43Å; Q56-P58 WeakPolarHBondContact O-CD 3.44Å |
| 57 | E | 48.6 | Very low | 54.5 | Low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.4 | 169.8 | -176.8 | -178.9 | 163.4 | 0 | 0 | 111.8 | ||
| 58 | P | 41.7 | Very low | 55.7 | Low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -112.7 | 129.7 | 145.1 | 29.7 | -17 | 0 | 0 | 0 | 110.5 | Q56 | Q56-P58 WeakPolarHBondContact O-CD 3.44Š| ||
| 59 | D | 46.1 | Very low | 56.8 | Low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -15.8 | 141.7 | 160 | -132 | -27.3 | 0 | 0 | 0 | 118.3 | ||
| 60 | A | 57 | Low | 58.1 | Low | 91 Ų | 91 | 150.3 Ų | 150.3 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 51.9 | 85 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 61 | V | 53.2 | Low | 59.2 | Low | 121 Ų | 121 | 151 Ų | 151 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -111.3 | 129 | 160.9 | -159.2 | 0 | 0 | 0 | 0 | 109.8 | R63 | V61-R63 PolarHBondContact O-N 3.37Š| ||
| 62 | P | 56.3 | Low | 60.6 | Low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -56.8 | 138.1 | 173.8 | -19.5 | 30 | 0 | 0 | 0 | 109.9 | V64 | P62-V64 VanDerWaalsContact C-N 3.29Å; P62-V64 PolarHBondContact O-N 2.95Å | ||
| 63 | R | 55.8 | Low | 61.9 | Low | 252 Ų | 252 | 145.4 Ų | 145.4 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | trans | -59.5 | 94.5 | 171.6 | -67.5 | -176.3 | 177.1 | -167.5 | -0.7 | 108.6 | V61 S65 | V61-R63 PolarHBondContact O-N 3.37Å; R63-S65 PolarHBondContact O-N 2.83Å | ||
| 64 | V | 61.4 | Low | 63.2 | Low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 109.8 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | P62 L66 | P62-V64 VanDerWaalsContact C-N 3.29Å; P62-V64 PolarHBondContact O-N 2.95Å; V64-L66 PolarHBondContact O-N 2.75Å | ||
| 65 | S | 68.3 | Low | 64.5 | Low | 85 Ų | 85 | 144.8 Ų | 144.8 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | -57.8 | 127.1 | 173.3 | 62.3 | 0 | 0 | 0 | 0 | 107.4 | R63 N67 | R63-S65 PolarHBondContact O-N 2.83Å; S65-N67 PolarHBondContact O-N 3.02Å | ||
| 66 | L | 62.8 | Low | 66 | Low | 152 Ų | 152 | 144.7 Ų | 144.7 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -65.2 | 7.7 | -176.6 | -70.9 | 168.7 | 0 | 0 | 0 | 113.5 | V64 K68 | V64-L66 PolarHBondContact O-N 2.75Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.2Å |
| 67 | N | 65.9 | Low | 67.1 | Low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 75.6 | 177.2 | -67.1 | -18.3 | 0 | 0 | 0 | 109.5 | S65 Y69 | S65-N67 PolarHBondContact O-N 3.02Å; N67-Y69 PolarHBondContact O-N 3.03Å; N67-Y69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | K | 77.9 | Confident | 68.2 | Low | 181 Ų | 181 | 145.4 Ų | 145.4 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -66.8 | -6.7 | 171.9 | -57.6 | -172.8 | -175.5 | -168.6 | 0 | 113 | L66 | L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 3.2Å | ||
| 69 | Y | 82.1 | Confident | 68.9 | Low | 201 Ų | 201 | 149.5 Ų | 149.5 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -122.4 | 138.1 | -178.6 | -60.2 | -75.2 | 0 | 0 | 0 | 110.1 | N67 V71 | N67-Y69 PolarHBondContact O-N 3.03Å; N67-Y69 VanDerWaalsContact O-N 3.16Å; Y69-V71 PolarHBondContact O-N 2.9Å |
| 70 | K | 80.7 | Confident | 69.1 | Low | 200 Ų | 200 | 147.7 Ų | 147.7 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.7 | 167.9 | -66.1 | -175 | 176.5 | -175.3 | 0 | 108.3 | L72 | K70-L72 PolarHBondContact O-N 3.16Š|
| 71 | V | 80.8 | Confident | 69.3 | Low | 132 Ų | 132 | 151.4 Ų | 151.4 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.3 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 108 | Y69 | Y69-V71 PolarHBondContact O-N 2.9Š|
| 72 | L | 84.6 | Confident | 69.3 | Low | 145 Ų | 145 | 154.7 Ų | 154.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.3 | 178.1 | -66.6 | 177.2 | 0 | 0 | 0 | 110.3 | K70 S74 | K70-L72 PolarHBondContact O-N 3.16Å; L72-S74 PolarHBondContact O-N 3.49Å |
| 73 | P | 80.4 | Confident | 69.1 | Low | 119 Ų | 119 | 161 Ų | 161 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136 | 173.6 | 22 | -31.2 | 0 | 0 | 0 | 110.6 | I75 | P73-I75 PolarHBondContact O-N 3.07Š|
| 74 | S | 81 | Confident | 68.9 | Low | 115 Ų | 115 | 153.7 Ų | 153.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.8 | 178.1 | -38.8 | 0 | 0 | 0 | 0 | 110.5 | L72 | L72-S74 PolarHBondContact O-N 3.49Š|
| 75 | I | 81.1 | Confident | 68.7 | Low | 156 Ų | 156 | 156.6 Ų | 156.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.9 | 174.6 | -59.4 | 173 | 0 | 0 | 0 | 107.9 | P73 T77 | P73-I75 PolarHBondContact O-N 3.07Å; I75-T77 PolarHBondContact O-N 2.9Å |
| 76 | P | 77.2 | Confident | 68 | Low | 113 Ų | 113 | 161.3 Ų | 161.3 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126 | 177.5 | 25.6 | -32.4 | 0 | 0 | 0 | 109.4 | R78 | P76-R78 PolarHBondContact O-N 3.47Š|
| 77 | T | 67.3 | Low | 67.7 | Low | 129 Ų | 129 | 157.5 Ų | 157.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 127.8 | 167.9 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | I75 K79 | I75-T77 PolarHBondContact O-N 2.9Å; T77-K79 PolarHBondContact O-N 3.04Å |
| 78 | R | 71.2 | Confident | 67.5 | Low | 248 Ų | 248 | 157.6 Ų | 157.6 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | -62 | 114 | 172 | -69.7 | -178.1 | 176.5 | -178.1 | -1.5 | 107 | P76 S80 | P76-R78 PolarHBondContact O-N 3.47Å; R78-S80 VanDerWaalsContact C-N 3.28Å; R78-S80 PolarHBondContact O-N 3.42Å | ||
| 79 | K | 56 | Low | 66.8 | Low | 199 Ų | 199 | 154.7 Ų | 154.7 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 93.5 | 170.1 | -63.3 | -177 | -176.7 | -179.6 | 0 | 106.8 | T77 E81 | T77-K79 PolarHBondContact O-N 3.04Å; K79-E81 VanDerWaalsContact C-N 3.34Å; K79-E81 PolarHBondContact O-N 3.2Å; K79-E81 VanDerWaalsContact O-N 3.07Å | ||
| 80 | S | 51.3 | Low | 65.9 | Low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -66 | 103.7 | 160.1 | -175.8 | 0 | 0 | 0 | 0 | 105.8 | R78 K82 | R78-S80 VanDerWaalsContact C-N 3.28Å; R78-S80 PolarHBondContact O-N 3.42Å; S80-K82 PolarHBondContact O-N 2.9Å | ||
| 81 | E | 59.9 | Low | 65.1 | Low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -56.6 | 126.6 | 176.4 | -162.9 | 170.3 | 152.5 | 0 | 0 | 109 | K79 | K79-E81 VanDerWaalsContact C-N 3.34Å; K79-E81 PolarHBondContact O-N 3.2Å; K79-E81 VanDerWaalsContact O-N 3.07Å |
| 82 | K | 53.3 | Low | 64.4 | Low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 71.5 | 67.6 | 179.1 | -60.4 | 171.6 | -177.9 | 175.1 | 0 | 117.3 | S80 | S80-K82 PolarHBondContact O-N 2.9Š|
| 83 | R | 53.2 | Low | 63.4 | Low | 239 Ų | 239 | 141.3 Ų | 141.3 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -145.9 | 119 | 134.5 | -121.5 | 177.1 | -177.8 | 172.6 | -0.1 | 109.7 | Q85 | R83-Q85 PolarHBondContact O-N 2.87Š|
| 84 | S | 51.3 | Low | 62.4 | Low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | trans | -49.5 | 123 | -171.1 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | K86 N87 | S84-K86 PolarHBondContact O-N 3.45Å; S84-N87 PolarHBondContact O-N 3.31Å | ||
| 85 | Q | 55.8 | Low | 61.3 | Low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -9.1 | 177.5 | -133.2 | 163.2 | -59.1 | 0 | 0 | 114.5 | R83 N87 | R83-Q85 PolarHBondContact O-N 2.87Å; Q85-N87 VanDerWaalsContact C-N 3.26Å; Q85-N87 PolarHBondContact O-N 2.82Å |
| 86 | K | 54.6 | Low | 60.2 | Low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -10.3 | 179.6 | -58.7 | -177.8 | -179.2 | -178.4 | 0 | 113.9 | S84 | S84-K86 PolarHBondContact O-N 3.45Š|
| 87 | N | 55.8 | Low | 59.1 | Low | 72 Ų | 72 | 143.1 Ų | 143.1 | 39% | 0.385 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -90.9 | -18.3 | -171.3 | -173.3 | -117.7 | 0 | 0 | 0 | 114.3 | S84 Q85 M91 | S84-N87 PolarHBondContact O-N 3.31Å; Q85-N87 VanDerWaalsContact C-N 3.26Å; Q85-N87 PolarHBondContact O-N 2.82Å; N87-M91 VanDerWaalsContact O-CG 3.28Å; N87-M91 WeakPolarHBondContact O-CG 3.21Å; N87-M91 PolarHBondContact O-N 3.49Å; N87-M91 VanDerWaalsContact O-N 3.11Å; N87-M91 WeakPolarHBondContact OD1-CE 3.28Å |
| 88 | L | 62.5 | Low | 58.1 | Low | 125 Ų | 125 | 142.9 Ų | 142.9 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -74.3 | -34.9 | -178.2 | -72 | 175.7 | 0 | 0 | 0 | 113.3 | M91 M92 | L88-M91 HydrophobicContact CD2-SD 4.31Å; L88-M91 PolarHBondContact O-N 2.98Å; L88-M92 PolarHBondContact O-N 2.78Å; L88-M92 VanDerWaalsContact O-N 3.12Å |
| 89 | D | 63.5 | Low | 57.2 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.4 | -42.3 | 176.9 | -164.1 | -109.9 | 0 | 0 | 0 | 110.7 | M91 M92 V93 | D89-M91 PolarHBondContact O-N 3.36Å; D89-M92 WeakPolarHBondContact O-CB 3.47Å; D89-M92 PolarHBondContact O-N 3.41Å; D89-V93 WeakPolarHBondContact O-CG2 3.42Å; D89-V93 PolarHBondContact O-N 3.42Å |
| 90 | E | 62.8 | Low | 56.4 | Low | 107 Ų | 107 | 133.8 Ų | 133.8 | 50% | 0.5 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -62 | -39.7 | 174.9 | -167.3 | 178.9 | -169.8 | 0 | 0 | 112.6 | M92 V93 Q94 | E90-M92 VanDerWaalsContact C-N 3.31Å; E90-M92 PolarHBondContact O-N 3.24Å; E90-V93 PolarHBondContact O-N 3.15Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3Å |
| 91 | M | 63.8 | Low | 56 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 45% | 0.453 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -64.2 | -35.4 | 172.8 | -74.8 | 173.2 | 172.1 | 0 | 0 | 112.2 | N87 L88 D89 Q94 L95 | N87-M91 VanDerWaalsContact O-CG 3.28Å; N87-M91 WeakPolarHBondContact O-CG 3.21Å; N87-M91 PolarHBondContact O-N 3.49Å; N87-M91 VanDerWaalsContact O-N 3.11Å; N87-M91 WeakPolarHBondContact OD1-CE 3.28Å; L88-M91 HydrophobicContact CD2-SD 4.31Å; L88-M91 PolarHBondContact O-N 2.98Å; D89-M91 PolarHBondContact O-N 3.36Å; M91-Q94 PolarHBondContact O-N 3.2Å; M91-L95 WeakPolarHBondContact O-CG 3.33Å; M91-L95 PolarHBondContact O-N 2.63Å |
| 92 | M | 65.9 | Low | 54.9 | Low | 126 Ų | 126 | 132.9 Ų | 132.9 | 62% | 0.621 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.9 | -35.7 | 177.5 | -163.5 | 176 | -72.9 | 0 | 0 | 111.6 | L88 D89 E90 L95 N96 | L88-M92 PolarHBondContact O-N 2.78Å; L88-M92 VanDerWaalsContact O-N 3.12Å; D89-M92 WeakPolarHBondContact O-CB 3.47Å; D89-M92 PolarHBondContact O-N 3.41Å; E90-M92 VanDerWaalsContact C-N 3.31Å; E90-M92 PolarHBondContact O-N 3.24Å; M92-L95 PolarHBondContact O-N 3.49Å; M92-N96 PolarHBondContact O-ND2 2.98Å |
| 93 | V | 63.8 | Low | 54.1 | Low | 73 Ų | 73 | 133.5 Ų | 133.5 | 44% | 0.442 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -69.3 | -37.5 | 173.4 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | D89 E90 L95 N96 L97 | D89-V93 WeakPolarHBondContact O-CG2 3.42Å; D89-V93 PolarHBondContact O-N 3.42Å; E90-V93 PolarHBondContact O-N 3.15Å; V93-L95 VanDerWaalsContact C-N 3.3Å; V93-L95 PolarHBondContact O-N 3.37Å; V93-N96 PolarHBondContact O-N 3.39Å; V93-N96 VanDerWaalsContact O-N 3.12Å; V93-L97 HydrophobicContact CG1-CD1 3.94Å |
| 94 | Q | 58.5 | Low | 53.3 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -63.9 | -31.3 | 175.6 | -81.2 | 178.6 | 18.9 | 0 | 0 | 113.6 | E90 M91 N96 | E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3Å; M91-Q94 PolarHBondContact O-N 3.2Å; Q94-N96 PolarHBondContact O-N 2.96Å |
| 95 | L | 57.9 | Low | 52.9 | Low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -17.8 | 175.7 | -66.8 | 172.1 | 0 | 0 | 0 | 113 | M91 M92 V93 | M91-L95 WeakPolarHBondContact O-CG 3.33Å; M91-L95 PolarHBondContact O-N 2.63Å; M92-L95 PolarHBondContact O-N 3.49Å; V93-L95 VanDerWaalsContact C-N 3.3Å; V93-L95 PolarHBondContact O-N 3.37Å |
| 96 | N | 59.2 | Low | 52.3 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -5.6 | -177.1 | -68.2 | -27.7 | 0 | 0 | 0 | 114.1 | M92 V93 Q94 | M92-N96 PolarHBondContact O-ND2 2.98Å; V93-N96 PolarHBondContact O-N 3.39Å; V93-N96 VanDerWaalsContact O-N 3.12Å; Q94-N96 PolarHBondContact O-N 2.96Å |
| 97 | L | 52.8 | Low | 51.8 | Low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -111 | -0.6 | -174.7 | -72.9 | 163.9 | 0 | 0 | 0 | 114.6 | V93 G99 | V93-L97 HydrophobicContact CG1-CD1 3.94Å; L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 3.21Å |
| 98 | S | 47.8 | Very low | 51 | Low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -84.4 | 73.9 | 173.5 | -162.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | G | 50.7 | Low | 49.7 | Very low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | trans | -175.3 | 51.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L97 | L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 3.21Å | ||
| 100 | E | 40.7 | Very low | 48.5 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -173.9 | 148.3 | 139.7 | -122.5 | 169.4 | 97.7 | 0 | 0 | 112.8 | ||||
| 101 | V | 43 | Very low | 47 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -71.5 | 139 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 102 | T | 35.5 | Very low | 45.8 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | 171.8 | 132 | 128.9 | 34.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 103 | K | 37.7 | Very low | 44.3 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 9.9 | 140.4 | 151 | -76.4 | 173.7 | 172.9 | 172.2 | 0 | 121.6 | ||||
| 104 | S | 36.3 | Very low | 43.1 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 97.8 | 110.2 | 138.4 | -152.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 105 | R | 41.9 | Very low | 41.9 | Very low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -176.2 | 130.8 | 93.3 | -96.9 | -175.2 | -174.1 | -157.1 | 1.6 | 112.9 | |||||
| 106 | R | 44.2 | Very low | 41.4 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -42 | 137.8 | 155.4 | -179.5 | -178.6 | -173.3 | 152.6 | 1.5 | 113 | E108 | R106-E108 HydrophobicContact CG-CG 4.33Å; R106-E108 IonicContact CZ-OE1 2.75Å; R106-E108 IonicContact NE-OE1 3.52Å; R106-E108 PolarHBondContact NE-OE1 3.21Å; R106-E108 IonicContact NE-OE2 2.9Å; R106-E108 IonicContact NH2-OE1 3.84Å; R106-E108 PolarHBondContact NH2-OE1 3.41Å; R106-E108 IonicContact NH2-OE2 3.96Å | ||
| 107 | L | 42.7 | Very low | 40.6 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -147.9 | 125.7 | 145.7 | -107 | 158.9 | 0 | 0 | 0 | 108.7 | ||||
| 108 | E | 39.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | trans | -81.7 | 147.2 | -176.4 | -65 | 169 | 135.1 | 0 | 0 | 110.1 | R106 | R106-E108 HydrophobicContact CG-CG 4.33Å; R106-E108 IonicContact CZ-OE1 2.75Å; R106-E108 IonicContact NE-OE1 3.52Å; R106-E108 PolarHBondContact NE-OE1 3.21Å; R106-E108 IonicContact NE-OE2 2.9Å; R106-E108 IonicContact NH2-OE1 3.84Å; R106-E108 PolarHBondContact NH2-OE1 3.41Å; R106-E108 IonicContact NH2-OE2 3.96Å | ||
| 109 | Q | 36.2 | Very low | 39.7 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | -149.7 | 126.7 | 148.3 | -120.4 | 171.3 | 16.7 | 0 | 0 | 110.8 | ||||
| 110 | E | 36.6 | Very low | 39.6 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 165.5 | -172.6 | -60.6 | 176 | 91.2 | 0 | 0 | 113.4 | ||||
| 111 | G | 32.8 | Very low | 39.2 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | 125.1 | 83.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 112 | T | 38.2 | Very low | 39 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | 55.6 | 116 | 127.3 | 58.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 113 | N | 34.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | 126.2 | 123.7 | 130.6 | -60.6 | -19.9 | 0 | 0 | 0 | 115.9 | ||||
| 114 | G | 38.3 | Very low | 39.1 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 161.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 115 | H | 33.1 | Very low | 39.4 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -151.4 | 126.8 | 153.1 | -170.4 | -126.8 | 0 | 0 | 0 | 108.6 | S117 | H115-S117 PolarHBondContact O-N 2.92Š| ||
| 116 | L | 46.7 | Very low | 39.5 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -57.8 | 129 | 175.2 | -69 | 151.6 | 0 | 0 | 0 | 109.5 | ||||
| 117 | S | 42.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -139.9 | 103.5 | 154.8 | -89.5 | 0 | 0 | 0 | 0 | 109.4 | H115 G119 | H115-S117 PolarHBondContact O-N 2.92Å; S117-G119 PolarHBondContact O-N 3.08Å; S117-G119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | V | 45.6 | Very low | 39.5 | Very low | 154 Ų | 154 | 135 Ų | 135 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | -49.5 | 111.7 | 155.4 | 170 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 119 | G | 36.3 | Very low | 40.2 | Very low | 43 Ų | 43 | 132.3 Ų | 132.3 | 44% | 0.443 | 78% | 0.779 | S | S | . | * | trans | -156.3 | 99.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | S117 W121 | S117-G119 PolarHBondContact O-N 3.08Å; S117-G119 VanDerWaalsContact O-N 3.15Å; G119-W121 VanDerWaalsContact O-CD1 3.3Å; G119-W121 PolarHBondContact O-N 3.47Å | ||
| 120 | A | 49.7 | Very low | 40.6 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -64.2 | 86.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 121 | W | 31.4 | Very low | 41.4 | Very low | 233 Ų | 233 | 123.3 Ų | 123.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -96.1 | 100.2 | 162.1 | -64.9 | 81.6 | 0 | 0 | 0 | 104.4 | G119 E123 | G119-W121 VanDerWaalsContact O-CD1 3.3Å; G119-W121 PolarHBondContact O-N 3.47Å; W121-E123 PolarHBondContact O-N 3.4Å | ||
| 122 | C | 38.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 124 Ų | 124 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -59.3 | 102.1 | 160.7 | -83.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 123 | E | 33.6 | Very low | 43.7 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -43.7 | 122.8 | 168.3 | -161.5 | 179.9 | 118.3 | 0 | 0 | 108.7 | W121 S125 | W121-E123 PolarHBondContact O-N 3.4Å; E123-S125 PolarHBondContact O-N 3.1Å | ||
| 124 | P | 41.8 | Very low | 46 | Very low | 107 Ų | 107 | 119 Ų | 119 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -63.8 | 109.4 | 166.6 | 26.1 | -27.3 | 0 | 0 | 0 | 105 | E126 | P124-E126 PolarHBondContact O-N 3.17Š| ||
| 125 | S | 42.9 | Very low | 48.6 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | trans | -59.4 | 97.2 | 174.3 | -18.7 | 0 | 0 | 0 | 0 | 105.8 | E123 T127 | E123-S125 PolarHBondContact O-N 3.1Å; S125-T127 PolarHBondContact O-N 3.13Å; S125-T127 PolarHBondContact O-OG1 3.29Å | ||
| 126 | E | 43.1 | Very low | 51.6 | Low | 192 Ų | 192 | 108.4 Ų | 108.4 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | trans | -70.8 | 69.9 | 171.8 | -145.6 | 172.6 | 127.9 | 0 | 0 | 105.9 | P124 A128 | P124-E126 PolarHBondContact O-N 3.17Å; E126-A128 PolarHBondContact O-N 3.03Å | ||
| 127 | T | 42.7 | Very low | 54 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | trans | -71.6 | 86.6 | 165.1 | 20 | 0 | 0 | 0 | 0 | 104.4 | S125 P129 | S125-T127 PolarHBondContact O-N 3.13Å; S125-T127 PolarHBondContact O-OG1 3.29Å; T127-P129 WeakPolarHBondContact O-CD 3.36Å | ||
| 128 | A | 45.3 | Very low | 56.7 | Low | 81 Ų | 81 | 97 Ų | 97 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | trans | -50.5 | 110.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106 | E126 T130 | E126-A128 PolarHBondContact O-N 3.03Å; A128-T130 VanDerWaalsContact C-N 3.34Å; A128-T130 PolarHBondContact O-N 2.92Å | ||
| 129 | P | 53.7 | Low | 59.2 | Low | 77 Ų | 77 | 90.5 Ų | 90.5 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | trans | -71.7 | 102.3 | 179 | 28.4 | -28.3 | 0 | 0 | 0 | 105.2 | T127 P131 Y151 | T127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-P131 WeakPolarHBondContact O-CD 3.36Å; P129-Y151 HydrophobicContact CG-CD2 4.21Å | ||
| 130 | T | 45.9 | Very low | 62.2 | Low | 114 Ų | 114 | 88.4 Ų | 88.4 | 70% | 0.699 | 53% | 0.534 | S | S | * | . | trans | -51.2 | 126.8 | 149 | 48.2 | 0 | 0 | 0 | 0 | 104.9 | A128 N132 | A128-T130 VanDerWaalsContact C-N 3.34Å; A128-T130 PolarHBondContact O-N 2.92Å; T130-N132 PolarHBondContact O-N 3Å; T130-N132 PolarHBondContact O-OD1 2.9Å | ||
| 131 | P | 53.6 | Low | 64.5 | Low | 97 Ų | 97 | 89.5 Ų | 89.5 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | trans | -67.9 | 83.5 | 174.1 | 27.5 | -32.2 | 0 | 0 | 0 | 106.6 | P129 S133 | P129-P131 WeakPolarHBondContact O-CD 3.36Å; P131-S133 PolarHBondContact O-N 2.79Å | ||
| 132 | N | 54.3 | Low | 67.5 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | trans | -42.2 | 122.8 | 152.4 | 48.1 | -18.4 | 0 | 0 | 0 | 105.9 | T130 G134 S135 D153 | T130-N132 PolarHBondContact O-N 3Å; T130-N132 PolarHBondContact O-OD1 2.9Å; N132-G134 PolarHBondContact O-N 3.37Å; N132-S135 PolarHBondContact O-N 2.84Å; N132-S135 PolarHBondContact O-OG 2.84Å; N132-S135 VanDerWaalsContact OD1-CB 3.23Å; N132-S135 WeakPolarHBondContact OD1-CB 3.5Å; N132-S135 PolarHBondContact OD1-OG 3.11Å; N132-D153 PolarHBondContact ND2-OD1 2.71Å | ||
| 133 | S | 63.4 | Low | 70.2 | Confident | 138 Ų | 138 | 75 Ų | 75 | 97% | 0.965 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 8.7 | -170.2 | -45.6 | 0 | 0 | 0 | 0 | 115.2 | P131 | P131-S133 PolarHBondContact O-N 2.79Š|
| 134 | G | 83.9 | Confident | 73 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -8.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | N132 P154 | N132-G134 PolarHBondContact O-N 3.37Å; G134-P154 WeakPolarHBondContact O-CD 3.18Å; G134-P154 WeakPolarHBondContact O-CG 3.43Å |
| 135 | S | 93.5 | Very high | 75.4 | Confident | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 43% | 0.428 | C | S | . | . | trans | -73.7 | 142.6 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | N132 F152 | N132-S135 PolarHBondContact O-N 2.84Å; N132-S135 PolarHBondContact O-OG 2.84Å; N132-S135 VanDerWaalsContact OD1-CB 3.23Å; N132-S135 WeakPolarHBondContact OD1-CB 3.5Å; N132-S135 PolarHBondContact OD1-OG 3.11Å; S135-F152 CarbonylContact C-O 3.58Å; S135-F152 WeakPolarHBondContact CA-O 3.43Å | ||
| 136 | L | 95.9 | Very high | 77.9 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.4 | 179.8 | -57.1 | 176.1 | 0 | 0 | 0 | 109.2 | L138 Y151 F152 P154 L195 N202 | L136-L138 HydrophobicContact CB-CD2 4.15Å; L136-L138 HydrophobicContact CB-CG 4.14Å; L136-L138 PolarHBondContact O-N 2.96Å; L136-Y151 CarbonylContact O-C 3.46Å; L136-Y151 WeakPolarHBondContact O-CA 3.42Å; L136-F152 PolarHBondContact N-O 2.94Å; L136-F152 PolarHBondContact O-N 3.22Å; L136-P154 HydrophobicContact CD1-CB 4.42Å; L136-P154 HydrophobicContact CD1-CG 4.4Å; L136-P154 HydrophobicContact CG-CG 4.25Å; L136-L195 HydrophobicContact CD1-CB 3.99Å; L136-L195 HydrophobicContact CD1-CD1 4.25Å; L136-N202 HydrophobicContact CD2-CB 4.11Å |
| 137 | L | 97.6 | Very high | 80.5 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.6 | 168.3 | 179 | 60.4 | 0 | 0 | 0 | 108.5 | E149 Y151 N202 R203 | L137-E149 HydrophobicContact CD1-CB 4.37Å; L137-Y151 HydrophobicContact CB-CD1 4.01Å; L137-Y151 HydrophobicContact CB-CE1 3.77Å; L137-Y151 HydrophobicContact CD1-CD1 4.34Å; L137-Y151 HydrophobicContact CD1-CD2 4.02Å; L137-Y151 HydrophobicContact CD1-CE1 4.22Å; L137-Y151 HydrophobicContact CD1-CE2 3.86Å; L137-Y151 HydrophobicContact CD1-CG 4.25Å; L137-Y151 HydrophobicContact CG-CE1 4.4Å; L137-N202 PolarHBondContact N-OD1 3.47Å; L137-N202 PolarHBondContact O-OD1 3.3Å; L137-R203 WeakPolarHBondContact O-CA 3.16Å; L137-R203 PolarHBondContact O-N 3.21Å |
| 138 | L | 98 | Very high | 83.1 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145 | -177.1 | -57.8 | -179.3 | 0 | 0 | 0 | 111.2 | L136 E149 Q150 F152 L195 I200 L201 L206 | L136-L138 HydrophobicContact CB-CD2 4.15Å; L136-L138 HydrophobicContact CB-CG 4.14Å; L136-L138 PolarHBondContact O-N 2.96Å; L138-E149 VanDerWaalsContact O-CA 3.31Å; L138-E149 WeakPolarHBondContact O-CA 3.47Å; L138-Q150 PolarHBondContact N-O 3.29Å; L138-Q150 PolarHBondContact O-N 3.03Å; L138-F152 HydrophobicContact CB-CD2 3.93Å; L138-F152 HydrophobicContact CB-CE2 4.13Å; L138-F152 HydrophobicContact CD1-CB 4.4Å; L138-F152 HydrophobicContact CD1-CD2 3.76Å; L138-F152 HydrophobicContact CD1-CE2 4.42Å; L138-F152 HydrophobicContact CD1-CG 4.29Å; L138-F152 HydrophobicContact CG-CD2 3.99Å; L138-L195 HydrophobicContact CD1-CD1 3.83Å; L138-L195 HydrophobicContact CD1-CD2 4.14Å; L138-I200 HydrophobicContact CD1-CG2 4.13Å; L138-I200 HydrophobicContact CD2-CG2 3.71Å; L138-L201 WeakPolarHBondContact CD2-O 3.32Å; L138-L206 HydrophobicContact CD1-CD1 3.91Å |
| 139 | A | 98.3 | Very high | 85.6 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F148 E149 S204 V205 L206 | A139-F148 CarbonylContact C-O 3.59Å; A139-F148 WeakPolarHBondContact CA-O 3.44Å; A139-E149 HydrophobicContact CB-CG 4.15Å; A139-S204 PolarHBondContact N-O 2.91Å; A139-S204 VanDerWaalsContact N-O 3.11Å; A139-V205 HydrophobicContact CB-CG1 4.45Å; A139-V205 HydrophobicContact CB-CG2 4.17Å; A139-V205 CarbonylContact O-C 3.59Å; A139-V205 WeakPolarHBondContact O-CA 3.41Å; A139-L206 PolarHBondContact O-N 3.34Å |
| 140 | V | 98.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.5 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | R147 F148 F152 V161 A165 L206 I208 | V140-R147 WeakPolarHBondContact O-CA 3.33Å; V140-F148 HydrophobicContact CB-CD1 4.11Å; V140-F148 HydrophobicContact CB-CE1 3.57Å; V140-F148 HydrophobicContact CB-CE2 4.29Å; V140-F148 HydrophobicContact CB-CZ 3.68Å; V140-F148 HydrophobicContact CG1-CE1 3.76Å; V140-F148 HydrophobicContact CG1-CZ 4Å; V140-F148 HydrophobicContact CG2-CE1 4.38Å; V140-F148 HydrophobicContact CG2-CE2 4.31Å; V140-F148 HydrophobicContact CG2-CZ 3.98Å; V140-F148 PolarHBondContact N-O 2.92Å; V140-F148 PolarHBondContact O-N 2.84Å; V140-F148 VanDerWaalsContact O-N 3.08Å; V140-F152 HydrophobicContact CG2-CE2 4.28Å; V140-F152 HydrophobicContact CG2-CZ 4.5Å; V140-V161 HydrophobicContact CG1-CG1 4.16Å; V140-V161 HydrophobicContact CG2-CG1 3.77Å; V140-A165 HydrophobicContact CG1-CB 4.22Å; V140-L206 CarbonylContact C-O 3.56Å; V140-L206 WeakPolarHBondContact CA-O 3.12Å; V140-I208 HydrophobicContact CG1-CD1 3.68Å; V140-I208 HydrophobicContact CG1-CG1 4.11Å |
| 141 | R | 97.8 | Very high | 90.2 | Very high | 132 Ų | 132 | 67.7 Ų | 67.7 | 50% | 0.498 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.2 | 173.7 | -174.2 | -178.5 | -176.4 | -162.8 | -1.2 | 109.5 | L206 I208 | R141-L206 PolarHBondContact N-O 3.3Å; R141-I208 PolarHBondContact O-N 2.96Å |
| 142 | A | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | trans | -85.9 | 160.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C144 G145 R146 F169 Y173 | A142-C144 PolarHBondContact O-N 2.76Å; A142-C144 VanDerWaalsContact O-N 3.12Å; A142-G145 PolarHBondContact O-N 2.9Å; A142-R146 PolarHBondContact N-O 2.86Å; A142-F169 HydrophobicContact CB-CD2 3.36Å; A142-F169 HydrophobicContact CB-CE2 3.3Å; A142-F169 HydrophobicContact CB-CG 4.3Å; A142-F169 HydrophobicContact CB-CZ 4.23Å; A142-Y173 WeakPolarHBondContact CB-OH 3.1Å | ||
| 143 | P | 94.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 63 Ų | 63 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27 | 175.4 | -24.7 | 33.4 | 0 | 0 | 0 | 113.8 | G145 Y173 I208 Q210 | P143-G145 PolarHBondContact O-N 3.46Å; P143-G145 VanDerWaalsContact O-N 3.09Å; P143-Y173 HydrophobicContact CB-CE1 4.45Å; P143-Y173 HydrophobicContact CG-CD1 3.9Å; P143-Y173 HydrophobicContact CG-CE1 3.76Å; P143-I208 WeakPolarHBondContact CD-O 3.39Å; P143-I208 HydrophobicContact CG-CB 4.5Å; P143-I208 HydrophobicContact CG-CG2 4.12Å; P143-I208 WeakPolarHBondContact CG-O 3.34Å; P143-Q210 HydrophobicContact CG-CG 4.31Å |
| 144 | C | 92 | Very high | 95.9 | Very high | 73 Ų | 73 | 58 Ų | 58 | 49% | 0.493 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 2.9 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 114 | A142 R146 | A142-C144 PolarHBondContact O-N 2.76Å; A142-C144 VanDerWaalsContact O-N 3.12Å; C144-R146 PolarHBondContact O-N 3.44Å |
| 145 | G | 93.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 81.6 | -9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A142 P143 | A142-G145 PolarHBondContact O-N 2.9Å; P143-G145 PolarHBondContact O-N 3.46Å; P143-G145 VanDerWaalsContact O-N 3.09Å |
| 146 | R | 95.9 | Very high | 96.7 | Very high | 144 Ų | 144 | 62.3 Ų | 62.3 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | trans | -81.4 | 157.2 | 176.4 | -62.4 | 169.1 | 61.6 | -158.9 | -2.9 | 111 | A142 C144 F169 | A142-R146 PolarHBondContact N-O 2.86Å; C144-R146 PolarHBondContact O-N 3.44Å; R146-F169 HydrophobicContact CB-CD1 4.22Å; R146-F169 HydrophobicContact CB-CE1 3.55Å; R146-F169 HydrophobicContact CB-CZ 3.82Å; R146-F169 VanDerWaalsContact CZ-CD1 3.44Å | ||
| 147 | R | 97.1 | Very high | 96.8 | Very high | 199 Ų | 199 | 63.4 Ų | 63.4 | 75% | 0.751 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154.2 | 176.2 | 67.3 | -178.9 | -178 | 178.8 | 2.6 | 111.9 | V140 | V140-R147 WeakPolarHBondContact O-CA 3.33Å |
| 148 | F | 97.7 | Very high | 96.8 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 160.8 | 169.8 | 68.8 | -79.7 | 0 | 0 | 0 | 109.8 | A139 V140 Q150 A165 R168 F169 | A139-F148 CarbonylContact C-O 3.59Å; A139-F148 WeakPolarHBondContact CA-O 3.44Å; V140-F148 HydrophobicContact CB-CD1 4.11Å; V140-F148 HydrophobicContact CB-CE1 3.57Å; V140-F148 HydrophobicContact CB-CE2 4.29Å; V140-F148 HydrophobicContact CB-CZ 3.68Å; V140-F148 HydrophobicContact CG1-CE1 3.76Å; V140-F148 HydrophobicContact CG1-CZ 4Å; V140-F148 HydrophobicContact CG2-CE1 4.38Å; V140-F148 HydrophobicContact CG2-CE2 4.31Å; V140-F148 HydrophobicContact CG2-CZ 3.98Å; V140-F148 PolarHBondContact N-O 2.92Å; V140-F148 PolarHBondContact O-N 2.84Å; V140-F148 VanDerWaalsContact O-N 3.08Å; F148-Q150 HydrophobicContact CD2-CB 3.93Å; F148-Q150 HydrophobicContact CE2-CB 3.8Å; F148-Q150 VanDerWaalsContact CE2-OE1 3.29Å; F148-A165 HydrophobicContact CE1-CB 3.65Å; F148-A165 HydrophobicContact CZ-CB 3.95Å; F148-R168 HydrophobicContact CB-CG 4.22Å; F148-R168 HydrophobicContact CD1-CB 4.41Å; F148-R168 HydrophobicContact CD1-CG 4.21Å; F148-R168 HydrophobicContact CD2-CG 4.43Å; F148-R168 HydrophobicContact CE1-CB 4.43Å; F148-R168 HydrophobicContact CG-CG 4.04Å; F148-F169 HydrophobicContact CB-CZ 4.36Å; F148-F169 HydrophobicContact CD1-CD2 4.36Å; F148-F169 AromaticContact CD1-CE2 3.34Å; F148-F169 HydrophobicContact CD1-CE2 3.34Å; F148-F169 AromaticContact CD1-CZ 3.47Å; F148-F169 HydrophobicContact CD1-CZ 3.47Å; F148-F169 VanDerWaalsContact CD1-CZ 3.47Å; F148-F169 HydrophobicContact CE1-CD2 4.35Å; F148-F169 AromaticContact CE1-CE2 3.6Å; F148-F169 HydrophobicContact CE1-CE2 3.6Å; F148-F169 HydrophobicContact CE1-CZ 4.21Å; F148-F169 HydrophobicContact CG-CZ 4.35Å |
| 149 | E | 97.9 | Very high | 96.8 | Very high | 136 Ų | 136 | 68.1 Ų | 68.1 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.3 | 174.3 | -67.2 | 175.5 | -159.4 | 0 | 0 | 108.6 | L137 L138 A139 | L137-E149 HydrophobicContact CD1-CB 4.37Å; L138-E149 VanDerWaalsContact O-CA 3.31Å; L138-E149 WeakPolarHBondContact O-CA 3.47Å; A139-E149 HydrophobicContact CB-CG 4.15Å |
| 150 | Q | 97.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 146.6 | -179.2 | 176.9 | 171.9 | -19.7 | 0 | 0 | 110.2 | L138 F148 F152 S164 | L138-Q150 PolarHBondContact N-O 3.29Å; L138-Q150 PolarHBondContact O-N 3.03Å; F148-Q150 HydrophobicContact CD2-CB 3.93Å; F148-Q150 HydrophobicContact CE2-CB 3.8Å; F148-Q150 VanDerWaalsContact CE2-OE1 3.29Å; Q150-F152 HydrophobicContact CB-CD2 4.47Å; Q150-F152 HydrophobicContact CB-CE2 3.71Å; Q150-F152 HydrophobicContact CB-CZ 4.02Å; Q150-F152 HydrophobicContact CG-CD2 4.41Å; Q150-F152 HydrophobicContact CG-CE1 4.44Å; Q150-F152 HydrophobicContact CG-CE2 3.87Å; Q150-F152 HydrophobicContact CG-CZ 3.88Å; Q150-F152 WeakPolarHBondContact O-CD2 3.48Å; Q150-S164 PolarHBondContact NE2-OG 3.05Å |
| 151 | Y | 97.8 | Very high | 96.8 | Very high | 111 Ų | 111 | 68.8 Ų | 68.8 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 136.8 | 170.2 | -71.4 | -87.8 | 0 | 0 | 0 | 110.3 | P129 L136 L137 | P129-Y151 HydrophobicContact CG-CD2 4.21Å; L136-Y151 CarbonylContact O-C 3.46Å; L136-Y151 WeakPolarHBondContact O-CA 3.42Å; L137-Y151 HydrophobicContact CB-CD1 4.01Å; L137-Y151 HydrophobicContact CB-CE1 3.77Å; L137-Y151 HydrophobicContact CD1-CD1 4.34Å; L137-Y151 HydrophobicContact CD1-CD2 4.02Å; L137-Y151 HydrophobicContact CD1-CE1 4.22Å; L137-Y151 HydrophobicContact CD1-CE2 3.86Å; L137-Y151 HydrophobicContact CD1-CG 4.25Å; L137-Y151 HydrophobicContact CG-CE1 4.4Å |
| 152 | F | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.1 | 175.1 | -65.3 | -87.3 | 0 | 0 | 0 | 109.6 | S135 L136 L138 V140 Q150 D156 V161 L195 | S135-F152 CarbonylContact C-O 3.58Å; S135-F152 WeakPolarHBondContact CA-O 3.43Å; L136-F152 PolarHBondContact N-O 2.94Å; L136-F152 PolarHBondContact O-N 3.22Å; L138-F152 HydrophobicContact CB-CD2 3.93Å; L138-F152 HydrophobicContact CB-CE2 4.13Å; L138-F152 HydrophobicContact CD1-CB 4.4Å; L138-F152 HydrophobicContact CD1-CD2 3.76Å; L138-F152 HydrophobicContact CD1-CE2 4.42Å; L138-F152 HydrophobicContact CD1-CG 4.29Å; L138-F152 HydrophobicContact CG-CD2 3.99Å; V140-F152 HydrophobicContact CG2-CE2 4.28Å; V140-F152 HydrophobicContact CG2-CZ 4.5Å; Q150-F152 HydrophobicContact CB-CD2 4.47Å; Q150-F152 HydrophobicContact CB-CE2 3.71Å; Q150-F152 HydrophobicContact CB-CZ 4.02Å; Q150-F152 HydrophobicContact CG-CD2 4.41Å; Q150-F152 HydrophobicContact CG-CE1 4.44Å; Q150-F152 HydrophobicContact CG-CE2 3.87Å; Q150-F152 HydrophobicContact CG-CZ 3.88Å; Q150-F152 WeakPolarHBondContact O-CD2 3.48Å; F152-D156 WeakPolarHBondContact CA-OD2 3.41Å; F152-V161 HydrophobicContact CD1-CG2 4.04Å; F152-V161 HydrophobicContact CE1-CB 4.37Å; F152-V161 HydrophobicContact CE1-CG2 3.87Å; F152-V161 HydrophobicContact CZ-CB 4.49Å; F152-V161 HydrophobicContact CZ-CG1 4.42Å; F152-V161 HydrophobicContact CZ-CG2 4.17Å; F152-L195 HydrophobicContact CB-CD1 3.45Å; F152-L195 VanDerWaalsContact CB-CD1 3.45Å; F152-L195 HydrophobicContact CG-CD1 4.08Å |
| 153 | D | 96.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -83.3 | 147.4 | 170.2 | -70.8 | -46.1 | 0 | 0 | 0 | 109.9 | N132 T155 D156 | N132-D153 PolarHBondContact ND2-OD1 2.71Å; D153-T155 PolarHBondContact O-N 2.81Å; D153-T155 VanDerWaalsContact O-N 3.08Å; D153-D156 PolarHBondContact N-OD2 3.38Å; D153-D156 WeakPolarHBondContact O-CB 3.32Å; D153-D156 PolarHBondContact O-N 2.84Å | ||
| 154 | P | 96.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 21% | 0.214 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.8 | 178.6 | -23.5 | 33.7 | 0 | 0 | 0 | 113.4 | G134 L136 D156 L195 E196 | G134-P154 WeakPolarHBondContact O-CD 3.18Å; G134-P154 WeakPolarHBondContact O-CG 3.43Å; L136-P154 HydrophobicContact CD1-CB 4.42Å; L136-P154 HydrophobicContact CD1-CG 4.4Å; L136-P154 HydrophobicContact CG-CG 4.25Å; P154-D156 VanDerWaalsContact C-N 3.31Å; P154-L195 PolarHBondContact O-N 3.43Å; P154-E196 HydrophobicContact CB-CB 3.94Å; P154-E196 WeakPolarHBondContact O-CB 3.47Å; P154-E196 PolarHBondContact O-N 2.88Å |
| 155 | T | 97.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.8 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | D153 T194 | D153-T155 PolarHBondContact O-N 2.81Å; D153-T155 VanDerWaalsContact O-N 3.08Å; T155-T194 WeakPolarHBondContact O-CG2 3.23Å |
| 156 | D | 97.6 | Very high | 97.3 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | trans | -63.3 | 148.4 | 177.1 | -73 | -26.8 | 0 | 0 | 0 | 111 | F152 D153 P154 A160 T194 L195 | F152-D156 WeakPolarHBondContact CA-OD2 3.41Å; D153-D156 PolarHBondContact N-OD2 3.38Å; D153-D156 WeakPolarHBondContact O-CB 3.32Å; D153-D156 PolarHBondContact O-N 2.84Å; P154-D156 VanDerWaalsContact C-N 3.31Å; D156-A160 HydrophobicContact CB-CB 4.4Å; D156-T194 CarbonylContact O-C 3.57Å; D156-T194 WeakPolarHBondContact O-CA 3.48Å; D156-L195 HydrophobicContact CB-CD1 4.11Å; D156-L195 WeakPolarHBondContact O-CG 3.44Å; D156-L195 PolarHBondContact O-N 3.4Å | ||
| 157 | T | 98 | Very high | 97.3 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -91.7 | 158.6 | 178.9 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | R159 A160 V161 M193 T194 | T157-R159 PolarHBondContact O-N 3.26Å; T157-A160 WeakPolarHBondContact O-CA 3.25Å; T157-A160 WeakPolarHBondContact O-CB 3.38Å; T157-A160 PolarHBondContact O-N 2.88Å; T157-A160 PolarHBondContact OG1-N 3.09Å; T157-V161 PolarHBondContact O-N 3.08Å; T157-M193 CarbonylContact C-O 3.53Å; T157-M193 VanDerWaalsContact CA-O 3.3Å; T157-M193 WeakPolarHBondContact CA-O 3.5Å; T157-T194 HydrophobicContact CG2-CG2 4.4Å |
| 158 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -29.7 | 171 | -68.4 | -179.3 | 0 | 0 | 0 | 112.3 | A160 V161 K162 I178 F188 D190 M191 M193 L195 I200 | L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.96Å; L158-V161 PolarHBondContact O-N 2.67Å; L158-K162 PolarHBondContact O-N 3.08Å; L158-I178 HydrophobicContact CB-CD1 4Å; L158-I178 HydrophobicContact CD2-CD1 4.01Å; L158-I178 HydrophobicContact CD2-CG2 4.4Å; L158-I178 HydrophobicContact CG-CD1 4.5Å; L158-F188 HydrophobicContact CD1-CB 3.31Å; L158-F188 HydrophobicContact CD1-CD2 4.17Å; L158-F188 HydrophobicContact CD1-CG 3.84Å; L158-D190 WeakPolarHBondContact CD1-O 3.38Å; L158-M191 HydrophobicContact CB-SD 4.19Å; L158-M193 HydrophobicContact CD1-CB 4.37Å; L158-M193 PolarHBondContact N-O 2.75Å; L158-L195 HydrophobicContact CD2-CD2 3.9Å; L158-I200 HydrophobicContact CD2-CD1 3.92Å |
| 159 | R | 97.3 | Very high | 97.2 | Very high | 128 Ų | 128 | 57.5 Ų | 57.5 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 169.6 | -172.6 | 179.1 | -70.9 | 136.2 | 7.5 | 112.3 | T157 K162 A163 M191 D192 | T157-R159 PolarHBondContact O-N 3.26Å; R159-K162 PolarHBondContact O-N 2.67Å; R159-A163 WeakPolarHBondContact O-CB 3.16Å; R159-A163 PolarHBondContact O-N 3.35Å; R159-M191 HydrophobicContact CB-CB 4.2Å; R159-M191 WeakPolarHBondContact CB-O 3.35Å; R159-M191 PolarHBondContact N-O 3.28Å; R159-D192 IonicContact CZ-OD1 2.71Å; R159-D192 IonicContact CZ-OD2 3.04Å; R159-D192 IonicContact NH1-OD1 3.41Å; R159-D192 PolarHBondContact NH1-OD1 3.38Å; R159-D192 VanDerWaalsContact NH2-CG 3.27Å; R159-D192 IonicContact NH2-OD1 3.75Å; R159-D192 PolarHBondContact NH2-OD1 2.94Å; R159-D192 IonicContact NH2-OD2 2.81Å; R159-D192 PolarHBondContact NH2-OD2 2.89Å |
| 160 | A | 97.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D156 T157 L158 A163 S164 | D156-A160 HydrophobicContact CB-CB 4.4Å; T157-A160 WeakPolarHBondContact O-CA 3.25Å; T157-A160 WeakPolarHBondContact O-CB 3.38Å; T157-A160 PolarHBondContact O-N 2.88Å; T157-A160 PolarHBondContact OG1-N 3.09Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.96Å; A160-A163 PolarHBondContact O-N 3Å; A160-S164 WeakPolarHBondContact O-CB 3.48Å; A160-S164 PolarHBondContact O-N 2.96Å; A160-S164 PolarHBondContact O-OG 3.12Å |
| 161 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 173.2 | 178.4 | 0 | 0 | 0 | 0 | 111 | V140 F152 T157 L158 S164 A165 I178 L195 L206 | V140-V161 HydrophobicContact CG1-CG1 4.16Å; V140-V161 HydrophobicContact CG2-CG1 3.77Å; F152-V161 HydrophobicContact CD1-CG2 4.04Å; F152-V161 HydrophobicContact CE1-CB 4.37Å; F152-V161 HydrophobicContact CE1-CG2 3.87Å; F152-V161 HydrophobicContact CZ-CB 4.49Å; F152-V161 HydrophobicContact CZ-CG1 4.42Å; F152-V161 HydrophobicContact CZ-CG2 4.17Å; T157-V161 PolarHBondContact O-N 3.08Å; L158-V161 PolarHBondContact O-N 2.67Å; V161-S164 PolarHBondContact O-N 2.9Å; V161-A165 PolarHBondContact O-N 2.73Å; V161-I178 HydrophobicContact CB-CD1 4.21Å; V161-I178 HydrophobicContact CG1-CD1 4.17Å; V161-L195 HydrophobicContact CG2-CD1 4.41Å; V161-L195 HydrophobicContact CG2-CD2 3.95Å; V161-L206 HydrophobicContact CG1-CD1 4.14Å |
| 162 | K | 97.1 | Very high | 96.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -52 | 174.8 | 175.7 | -170.5 | 150.3 | 178.7 | 0 | 111 | L158 R159 S164 A165 E166 Y173 A176 | L158-K162 PolarHBondContact O-N 3.08Å; R159-K162 PolarHBondContact O-N 2.67Å; K162-S164 VanDerWaalsContact C-N 3.28Å; K162-S164 PolarHBondContact O-N 2.89Å; K162-A165 WeakPolarHBondContact O-CA 3.36Å; K162-A165 WeakPolarHBondContact O-CB 3.45Å; K162-A165 PolarHBondContact O-N 3.04Å; K162-E166 WeakPolarHBondContact CE-OE1 3.5Å; K162-E166 HydrophobicContact CG-CG 4.36Å; K162-E166 IonicContact NZ-OE1 3.92Å; K162-E166 WeakPolarHBondContact O-CG 3.43Å; K162-E166 PolarHBondContact O-N 3.34Å; K162-Y173 WeakPolarHBondContact CE-O 3.4Å; K162-Y173 HydrophobicContact CG-CD2 4.32Å; K162-Y173 PolarHBondContact NZ-O 2.67Å; K162-A176 HydrophobicContact CD-CB 4.36Å |
| 163 | A | 97.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | R159 A160 A165 E166 A167 | R159-A163 WeakPolarHBondContact O-CB 3.16Å; R159-A163 PolarHBondContact O-N 3.35Å; A160-A163 PolarHBondContact O-N 3Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.38Å; A163-E166 PolarHBondContact O-N 2.86Å; A163-A167 WeakPolarHBondContact O-CB 3.32Å; A163-A167 PolarHBondContact O-N 2.88Å |
| 164 | S | 97.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.3 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | Q150 A160 V161 K162 R168 | Q150-S164 PolarHBondContact NE2-OG 3.05Å; A160-S164 WeakPolarHBondContact O-CB 3.48Å; A160-S164 PolarHBondContact O-N 2.96Å; A160-S164 PolarHBondContact O-OG 3.12Å; V161-S164 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact C-N 3.28Å; K162-S164 PolarHBondContact O-N 2.89Å; S164-R168 VanDerWaalsContact O-CB 3.27Å; S164-R168 WeakPolarHBondContact O-CB 3.05Å; S164-R168 PolarHBondContact O-N 2.84Å |
| 165 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V140 F148 V161 K162 A163 R168 F169 Y173 I208 | V140-A165 HydrophobicContact CG1-CB 4.22Å; F148-A165 HydrophobicContact CE1-CB 3.65Å; F148-A165 HydrophobicContact CZ-CB 3.95Å; V161-A165 PolarHBondContact O-N 2.73Å; K162-A165 WeakPolarHBondContact O-CA 3.36Å; K162-A165 WeakPolarHBondContact O-CB 3.45Å; K162-A165 PolarHBondContact O-N 3.04Å; A163-A165 VanDerWaalsContact C-N 3.32Å; A163-A165 PolarHBondContact O-N 3.38Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-F169 HydrophobicContact CB-CD2 4.34Å; A165-F169 WeakPolarHBondContact O-CB 3.3Å; A165-F169 WeakPolarHBondContact O-CD2 3.5Å; A165-F169 PolarHBondContact O-N 2.82Å; A165-Y173 HydrophobicContact CB-CE2 3.93Å; A165-I208 HydrophobicContact CB-CD1 3.38Å |
| 166 | E | 96.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 176 | -69.9 | -179.5 | 152.1 | 0 | 0 | 111.1 | K162 A163 R168 F169 A170 A171 Y173 | K162-E166 WeakPolarHBondContact CE-OE1 3.5Å; K162-E166 HydrophobicContact CG-CG 4.36Å; K162-E166 IonicContact NZ-OE1 3.92Å; K162-E166 WeakPolarHBondContact O-CG 3.43Å; K162-E166 PolarHBondContact O-N 3.34Å; A163-E166 PolarHBondContact O-N 2.86Å; E166-R168 PolarHBondContact O-N 3.42Å; E166-F169 PolarHBondContact O-N 3.44Å; E166-A170 WeakPolarHBondContact O-CA 3.39Å; E166-A170 PolarHBondContact O-N 2.8Å; E166-A171 WeakPolarHBondContact CA-O 3.19Å; E166-A171 WeakPolarHBondContact CB-O 3.22Å; E166-A171 WeakPolarHBondContact CG-O 3.47Å; E166-A171 PolarHBondContact O-N 3.32Å; E166-Y173 HydrophobicContact CG-CD2 3.43Å; E166-Y173 VanDerWaalsContact CG-CD2 3.43Å; E166-Y173 HydrophobicContact CG-CE2 3.78Å; E166-Y173 HydrophobicContact CG-CG 4.16Å; E166-Y173 PolarHBondContact OE1-N 3.22Å |
| 167 | A | 96.6 | Very high | 95.6 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A163 F169 | A163-A167 WeakPolarHBondContact O-CB 3.32Å; A163-A167 PolarHBondContact O-N 2.88Å; A167-F169 PolarHBondContact O-N 3.28Å |
| 168 | R | 96.8 | Very high | 95.6 | Very high | 176 Ų | 176 | 56.6 Ų | 56.6 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.2 | -31.4 | -178 | -162.3 | 67.7 | 174.5 | -176.3 | -0.1 | 113.4 | F148 S164 A165 E166 | F148-R168 HydrophobicContact CB-CG 4.22Å; F148-R168 HydrophobicContact CD1-CB 4.41Å; F148-R168 HydrophobicContact CD1-CG 4.21Å; F148-R168 HydrophobicContact CD2-CG 4.43Å; F148-R168 HydrophobicContact CE1-CB 4.43Å; F148-R168 HydrophobicContact CG-CG 4.04Å; S164-R168 VanDerWaalsContact O-CB 3.27Å; S164-R168 WeakPolarHBondContact O-CB 3.05Å; S164-R168 PolarHBondContact O-N 2.84Å; A165-R168 PolarHBondContact O-N 3.03Å; E166-R168 PolarHBondContact O-N 3.42Å |
| 169 | F | 95.9 | Very high | 95.6 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -110.8 | 1.7 | -174.2 | -60.7 | -53.5 | 0 | 0 | 0 | 114.6 | A142 R146 F148 A165 E166 A167 A171 | A142-F169 HydrophobicContact CB-CD2 3.36Å; A142-F169 HydrophobicContact CB-CE2 3.3Å; A142-F169 HydrophobicContact CB-CG 4.3Å; A142-F169 HydrophobicContact CB-CZ 4.23Å; R146-F169 HydrophobicContact CB-CD1 4.22Å; R146-F169 HydrophobicContact CB-CE1 3.55Å; R146-F169 HydrophobicContact CB-CZ 3.82Å; R146-F169 VanDerWaalsContact CZ-CD1 3.44Å; F148-F169 HydrophobicContact CB-CZ 4.36Å; F148-F169 HydrophobicContact CD1-CD2 4.36Å; F148-F169 AromaticContact CD1-CE2 3.34Å; F148-F169 HydrophobicContact CD1-CE2 3.34Å; F148-F169 AromaticContact CD1-CZ 3.47Å; F148-F169 HydrophobicContact CD1-CZ 3.47Å; F148-F169 VanDerWaalsContact CD1-CZ 3.47Å; F148-F169 HydrophobicContact CE1-CD2 4.35Å; F148-F169 AromaticContact CE1-CE2 3.6Å; F148-F169 HydrophobicContact CE1-CE2 3.6Å; F148-F169 HydrophobicContact CE1-CZ 4.21Å; F148-F169 HydrophobicContact CG-CZ 4.35Å; A165-F169 HydrophobicContact CB-CD2 4.34Å; A165-F169 WeakPolarHBondContact O-CB 3.3Å; A165-F169 WeakPolarHBondContact O-CD2 3.5Å; A165-F169 PolarHBondContact O-N 2.82Å; E166-F169 PolarHBondContact O-N 3.44Å; A167-F169 PolarHBondContact O-N 3.28Å; F169-A171 PolarHBondContact O-N 3.31Å |
| 170 | A | 95.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 53 Ų | 53 | 83% | 0.826 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E166 | E166-A170 WeakPolarHBondContact O-CA 3.39Å; E166-A170 PolarHBondContact O-N 2.8Å |
| 171 | A | 93.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | trans | -132.1 | 158 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | E166 F169 Y173 | E166-A171 WeakPolarHBondContact CA-O 3.19Å; E166-A171 WeakPolarHBondContact CB-O 3.22Å; E166-A171 WeakPolarHBondContact CG-O 3.47Å; E166-A171 PolarHBondContact O-N 3.32Å; F169-A171 PolarHBondContact O-N 3.31Å; A171-Y173 HydrophobicContact CB-CE1 3.78Å | ||
| 172 | T | 93.9 | Very high | 95.1 | Very high | 106 Ų | 106 | 58 Ų | 58 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | trans | -118.4 | 135.7 | 175.9 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 173 | Y | 92.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | trans | -119.7 | 80.7 | -173.5 | -50.8 | -48.9 | 0 | 0 | 0 | 110.2 | A142 P143 K162 A165 E166 A171 I208 | A142-Y173 WeakPolarHBondContact CB-OH 3.1Å; P143-Y173 HydrophobicContact CB-CE1 4.45Å; P143-Y173 HydrophobicContact CG-CD1 3.9Å; P143-Y173 HydrophobicContact CG-CE1 3.76Å; K162-Y173 WeakPolarHBondContact CE-O 3.4Å; K162-Y173 HydrophobicContact CG-CD2 4.32Å; K162-Y173 PolarHBondContact NZ-O 2.67Å; A165-Y173 HydrophobicContact CB-CE2 3.93Å; E166-Y173 HydrophobicContact CG-CD2 3.43Å; E166-Y173 VanDerWaalsContact CG-CD2 3.43Å; E166-Y173 HydrophobicContact CG-CE2 3.78Å; E166-Y173 HydrophobicContact CG-CG 4.16Å; E166-Y173 PolarHBondContact OE1-N 3.22Å; A171-Y173 HydrophobicContact CB-CE1 3.78Å; Y173-I208 HydrophobicContact CD2-CD1 4.49Å; Y173-I208 HydrophobicContact CD2-CG2 4.13Å; Y173-I208 HydrophobicContact CE2-CD1 4.44Å; Y173-I208 HydrophobicContact CG-CG2 4.3Å | ||
| 174 | R | 89.1 | Confident | 94.6 | Very high | 214 Ų | 214 | 65.1 Ų | 65.1 | 81% | 0.808 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -66.6 | -168.3 | -65.4 | -172.9 | 178.6 | -168.1 | -0.4 | 113.1 | A176 | R174-A176 PolarHBondContact O-N 3.38Š|
| 175 | T | 91.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 65.1 | -177.8 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | Q210 N211 | T175-Q210 WeakPolarHBondContact O-CA 3.45Å; T175-N211 PolarHBondContact O-N 2.81Å; T175-N211 PolarHBondContact OG1-O 3.15Å; T175-N211 VanDerWaalsContact OG1-O 3.13Å |
| 176 | A | 93.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 76.1 Ų | 76.1 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 149.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K162 R174 I208 S209 Q210 | K162-A176 HydrophobicContact CD-CB 4.36Å; R174-A176 PolarHBondContact O-N 3.38Å; A176-I208 HydrophobicContact CB-CG2 4.06Å; A176-S209 CarbonylContact C-O 3.58Å; A176-S209 WeakPolarHBondContact CA-O 2.97Å; A176-Q210 HydrophobicContact CB-CG 4.23Å |
| 177 | F | 96.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 77.9 Ų | 77.9 | 20% | 0.197 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.7 | 167.4 | 59.8 | -91.9 | 0 | 0 | 0 | 109.5 | T187 F188 T189 S209 N211 | F177-T187 HydrophobicContact CB-CG2 4.39Å; F177-T187 HydrophobicContact CD2-CG2 3.46Å; F177-T187 VanDerWaalsContact CD2-CG2 3.46Å; F177-T187 HydrophobicContact CE2-CG2 4Å; F177-T187 HydrophobicContact CG-CG2 4.21Å; F177-F188 WeakPolarHBondContact CA-O 3.49Å; F177-F188 WeakPolarHBondContact CB-O 3.41Å; F177-T189 HydrophobicContact CB-CG2 4.3Å; F177-S209 VanDerWaalsContact CE2-CB 3.4Å; F177-S209 PolarHBondContact N-O 2.88Å; F177-S209 PolarHBondContact O-N 2.74Å; F177-N211 WeakPolarHBondContact CE1-OD1 3.28Å |
| 178 | I | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130 | -176.9 | -61.4 | -173.3 | 0 | 0 | 0 | 109.5 | L158 V161 F188 M191 L206 C207 I208 | L158-I178 HydrophobicContact CB-CD1 4Å; L158-I178 HydrophobicContact CD2-CD1 4.01Å; L158-I178 HydrophobicContact CD2-CG2 4.4Å; L158-I178 HydrophobicContact CG-CD1 4.5Å; V161-I178 HydrophobicContact CB-CD1 4.21Å; V161-I178 HydrophobicContact CG1-CD1 4.17Å; I178-F188 PolarHBondContact N-O 3.48Å; I178-F188 PolarHBondContact O-N 2.99Å; I178-M191 HydrophobicContact CD1-SD 4.48Å; I178-M191 HydrophobicContact CG1-CE 4.23Å; I178-M191 HydrophobicContact CG1-SD 4.5Å; I178-L206 HydrophobicContact CG2-CB 3.95Å; I178-L206 HydrophobicContact CG2-CD1 4.21Å; I178-L206 HydrophobicContact CG2-CD2 4.2Å; I178-L206 HydrophobicContact CG2-CG 4.35Å; I178-C207 CarbonylContact C-O 3.56Å; I178-C207 WeakPolarHBondContact CA-O 2.89Å; I178-I208 HydrophobicContact CG1-CG1 4.32Å |
| 179 | E | 97.1 | Very high | 94.5 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.4 | 177.1 | -165.9 | -165.1 | 147.8 | 0 | 0 | 110.8 | R185 R186 L206 C207 | E179-R185 IonicContact OE1-CZ 3.99Å; E179-R185 IonicContact OE1-NH1 3.03Å; E179-R185 PolarHBondContact OE1-NH1 3.26Å; E179-R186 CarbonylContact C-O 3.08Å; E179-R186 VanDerWaalsContact CA-O 3.28Å; E179-R186 WeakPolarHBondContact CA-O 3.38Å; E179-R186 WeakPolarHBondContact CG-O 3.19Å; E179-L206 CarbonylContact O-C 3.58Å; E179-L206 WeakPolarHBondContact O-CA 3.42Å; E179-C207 PolarHBondContact N-O 3.41Å; E179-C207 PolarHBondContact O-N 2.92Å |
| 180 | T | 97.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.043 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 145.1 | 168.2 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | R186 F188 I200 L206 | T180-R186 PolarHBondContact N-O 3.49Å; T180-R186 PolarHBondContact OG1-N 2.85Å; T180-R186 PolarHBondContact OG1-O 3.45Å; T180-F188 HydrophobicContact CG2-CE2 3.67Å; T180-F188 HydrophobicContact CG2-CZ 4.32Å; T180-I200 HydrophobicContact CG2-CG1 4.41Å; T180-L206 HydrophobicContact CG2-CD2 3.86Å |
| 181 | M | 95.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | trans | -88.5 | -6.9 | 173.4 | -65 | -64.5 | -71.2 | 0 | 0 | 113.6 | R185 V205 C207 | M181-R185 PolarHBondContact O-NH2 3.29Å; M181-R185 PolarHBondContact SD-NH1 3.31Å; M181-V205 HydrophobicContact CB-CB 3.99Å; M181-V205 HydrophobicContact CB-CG1 4.47Å; M181-V205 HydrophobicContact CG-CB 3.9Å; M181-V205 HydrophobicContact CG-CG1 3.83Å; M181-V205 PolarHBondContact N-O 3.29Å; M181-C207 PolarHBondContact SD-SG 3.11Å | ||
| 182 | D | 90.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.8 | 161.1 | 178.7 | -52.8 | -60.6 | 0 | 0 | 0 | 112 | P184 R185 | D182-P184 CarbonylContact O-C 3.59Å; D182-R185 WeakPolarHBondContact O-CA 2.92Å; D182-R185 WeakPolarHBondContact O-CG 2.9Å; D182-R185 PolarHBondContact O-N 3.49Å |
| 183 | V | 91.5 | Very high | 94.9 | Very high | 140 Ų | 140 | 70.6 Ų | 70.6 | 85% | 0.848 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -106.8 | 123.5 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 184 | P | 92.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 72.2 Ų | 72.2 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | S | Bend | cis | -73 | 145.5 | -2.6 | 31.3 | -35.4 | 0 | 0 | 0 | 112.7 | D182 | D182-P184 CarbonylContact O-C 3.59Š|
| 185 | R | 95.9 | Very high | 95.6 | Very high | 125 Ų | 125 | 62 Ų | 62 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -67.2 | 139.9 | 177.6 | -69.5 | 171.4 | 170.8 | -80.1 | -17.5 | 110.3 | E179 M181 D182 | E179-R185 IonicContact OE1-CZ 3.99Å; E179-R185 IonicContact OE1-NH1 3.03Å; E179-R185 PolarHBondContact OE1-NH1 3.26Å; M181-R185 PolarHBondContact O-NH2 3.29Å; M181-R185 PolarHBondContact SD-NH1 3.31Å; D182-R185 WeakPolarHBondContact O-CA 2.92Å; D182-R185 WeakPolarHBondContact O-CG 2.9Å; D182-R185 PolarHBondContact O-N 3.49Å | ||
| 186 | R | 96.5 | Very high | 95.8 | Very high | 133 Ų | 133 | 65 Ų | 65 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | trans | -127.6 | 144.4 | 178.7 | -59.3 | -178.6 | -174.8 | -177.5 | -0.4 | 109.7 | E179 T180 F188 | E179-R186 CarbonylContact C-O 3.08Å; E179-R186 VanDerWaalsContact CA-O 3.28Å; E179-R186 WeakPolarHBondContact CA-O 3.38Å; E179-R186 WeakPolarHBondContact CG-O 3.19Å; T180-R186 PolarHBondContact N-O 3.49Å; T180-R186 PolarHBondContact OG1-N 2.85Å; T180-R186 PolarHBondContact OG1-O 3.45Å; R186-F188 HydrophobicContact CB-CE1 4.39Å; R186-F188 HydrophobicContact CB-CE2 4.41Å; R186-F188 HydrophobicContact CB-CZ 3.98Å | ||
| 187 | T | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 73.3 Ų | 73.3 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.3 | 176.9 | -53 | 0 | 0 | 0 | 0 | 109.2 | F177 | F177-T187 HydrophobicContact CB-CG2 4.39Å; F177-T187 HydrophobicContact CD2-CG2 3.46Å; F177-T187 VanDerWaalsContact CD2-CG2 3.46Å; F177-T187 HydrophobicContact CE2-CG2 4Å; F177-T187 HydrophobicContact CG-CG2 4.21Å |
| 188 | F | 96.9 | Very high | 96 | Very high | 33 Ų | 33 | 71.5 Ų | 71.5 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.8 | 179.8 | -51.4 | -70.4 | 0 | 0 | 0 | 109.4 | L158 F177 I178 T180 R186 M191 C198 I200 | L158-F188 HydrophobicContact CD1-CB 3.31Å; L158-F188 HydrophobicContact CD1-CD2 4.17Å; L158-F188 HydrophobicContact CD1-CG 3.84Å; F177-F188 WeakPolarHBondContact CA-O 3.49Å; F177-F188 WeakPolarHBondContact CB-O 3.41Å; I178-F188 PolarHBondContact N-O 3.48Å; I178-F188 PolarHBondContact O-N 2.99Å; T180-F188 HydrophobicContact CG2-CE2 3.67Å; T180-F188 HydrophobicContact CG2-CZ 4.32Å; R186-F188 HydrophobicContact CB-CE1 4.39Å; R186-F188 HydrophobicContact CB-CE2 4.41Å; R186-F188 HydrophobicContact CB-CZ 3.98Å; F188-M191 WeakPolarHBondContact O-CE 3.31Å; F188-C198 HydrophobicContact CD1-CB 4.28Å; F188-C198 HydrophobicContact CE1-CB 3.74Å; F188-C198 HydrophobicContact CE2-CB 3.97Å; F188-C198 HydrophobicContact CZ-CB 3.57Å; F188-C198 WeakPolarHBondContact CZ-O 3.08Å; F188-I200 HydrophobicContact CE2-CD1 4.16Å; F188-I200 HydrophobicContact CE2-CG1 4.28Å |
| 189 | T | 96.1 | Very high | 95.9 | Very high | 114 Ų | 114 | 73.5 Ų | 73.5 | 70% | 0.699 | 38% | 0.379 | S | S | * | . | trans | -95.5 | -29.4 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 112 | F177 M191 | F177-T189 HydrophobicContact CB-CG2 4.3Å; T189-M191 PolarHBondContact O-N 3.42Å | ||
| 190 | D | 96.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 71.8 Ų | 71.8 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | trans | -78 | 110.8 | 176.9 | -175.5 | -2.6 | 0 | 0 | 0 | 110.2 | L158 D192 M193 | L158-D190 WeakPolarHBondContact CD1-O 3.38Å; D190-D192 VanDerWaalsContact C-N 3.31Å; D190-D192 PolarHBondContact OD1-N 3.12Å; D190-M193 HydrophobicContact CB-CG 3.97Å; D190-M193 WeakPolarHBondContact OD2-CE 3.35Å | ||
| 191 | M | 96.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 77.1 Ų | 77.1 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.2 | -177.8 | -66.4 | -64.9 | 112.1 | 0 | 0 | 113.5 | L158 R159 I178 F188 T189 M193 | L158-M191 HydrophobicContact CB-SD 4.19Å; R159-M191 HydrophobicContact CB-CB 4.2Å; R159-M191 WeakPolarHBondContact CB-O 3.35Å; R159-M191 PolarHBondContact N-O 3.28Å; I178-M191 HydrophobicContact CD1-SD 4.48Å; I178-M191 HydrophobicContact CG1-CE 4.23Å; I178-M191 HydrophobicContact CG1-SD 4.5Å; F188-M191 WeakPolarHBondContact O-CE 3.31Å; T189-M191 PolarHBondContact O-N 3.42Å; M191-M193 VanDerWaalsContact C-N 3.33Å |
| 192 | D | 96.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 78 Ų | 78 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.9 | 180 | -67.9 | -60.7 | 0 | 0 | 0 | 112.3 | R159 D190 | R159-D192 IonicContact CZ-OD1 2.71Å; R159-D192 IonicContact CZ-OD2 3.04Å; R159-D192 IonicContact NH1-OD1 3.41Å; R159-D192 PolarHBondContact NH1-OD1 3.38Å; R159-D192 VanDerWaalsContact NH2-CG 3.27Å; R159-D192 IonicContact NH2-OD1 3.75Å; R159-D192 PolarHBondContact NH2-OD1 2.94Å; R159-D192 IonicContact NH2-OD2 2.81Å; R159-D192 PolarHBondContact NH2-OD2 2.89Å; D190-D192 VanDerWaalsContact C-N 3.31Å; D190-D192 PolarHBondContact OD1-N 3.12Å |
| 193 | M | 97.3 | Very high | 96 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 20% | 0.197 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -67.5 | 140.9 | 172.7 | -71 | -63.9 | 106.6 | 0 | 0 | 112 | T157 L158 D190 M191 R197 | T157-M193 CarbonylContact C-O 3.53Å; T157-M193 VanDerWaalsContact CA-O 3.3Å; T157-M193 WeakPolarHBondContact CA-O 3.5Å; L158-M193 HydrophobicContact CD1-CB 4.37Å; L158-M193 PolarHBondContact N-O 2.75Å; D190-M193 HydrophobicContact CB-CG 3.97Å; D190-M193 WeakPolarHBondContact OD2-CE 3.35Å; M191-M193 VanDerWaalsContact C-N 3.33Å; M193-R197 WeakPolarHBondContact SD-CD 3.38Å; M193-R197 HydrophobicContact SD-CG 3.9Å; M193-R197 PolarHBondContact SD-NE 3.25Å; M193-R197 VanDerWaalsContact SD-NE 3.42Å |
| 194 | T | 97.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 24% | 0.239 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 156.7 | 174.1 | 65 | 0 | 0 | 0 | 0 | 111.9 | T155 D156 T157 E196 R197 C198 | T155-T194 WeakPolarHBondContact O-CG2 3.23Å; D156-T194 CarbonylContact O-C 3.57Å; D156-T194 WeakPolarHBondContact O-CA 3.48Å; T157-T194 HydrophobicContact CG2-CG2 4.4Å; T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 PolarHBondContact O-N 3.12Å; T194-R197 PolarHBondContact O-N 3.48Å; T194-R197 VanDerWaalsContact OG1-CB 3.25Å; T194-R197 WeakPolarHBondContact OG1-CB 3.19Å; T194-R197 PolarHBondContact OG1-N 3.28Å; T194-C198 PolarHBondContact O-N 3.5Å; T194-C198 PolarHBondContact O-SG 2.95Å |
| 195 | L | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.9 | -66.9 | 177.8 | 0 | 0 | 0 | 112.1 | L136 L138 F152 P154 D156 L158 V161 C198 G199 I200 L206 | L136-L195 HydrophobicContact CD1-CB 3.99Å; L136-L195 HydrophobicContact CD1-CD1 4.25Å; L138-L195 HydrophobicContact CD1-CD1 3.83Å; L138-L195 HydrophobicContact CD1-CD2 4.14Å; F152-L195 HydrophobicContact CB-CD1 3.45Å; F152-L195 VanDerWaalsContact CB-CD1 3.45Å; F152-L195 HydrophobicContact CG-CD1 4.08Å; P154-L195 PolarHBondContact O-N 3.43Å; D156-L195 HydrophobicContact CB-CD1 4.11Å; D156-L195 WeakPolarHBondContact O-CG 3.44Å; D156-L195 PolarHBondContact O-N 3.4Å; L158-L195 HydrophobicContact CD2-CD2 3.9Å; V161-L195 HydrophobicContact CG2-CD1 4.41Å; V161-L195 HydrophobicContact CG2-CD2 3.95Å; L195-C198 PolarHBondContact O-N 3.42Å; L195-G199 PolarHBondContact O-N 3.47Å; L195-I200 HydrophobicContact CD2-CD1 3.44Å; L195-I200 VanDerWaalsContact CD2-CD1 3.44Å; L195-I200 PolarHBondContact O-N 3.05Å; L195-I200 VanDerWaalsContact O-N 3.08Å; L195-L206 HydrophobicContact CD2-CD1 4.49Å |
| 196 | E | 96.3 | Very high | 96.6 | Very high | 137 Ų | 137 | 70 Ų | 70 | 64% | 0.64 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 174.4 | -176.1 | 178.5 | -146.9 | 0 | 0 | 111.7 | P154 T194 C198 G199 | P154-E196 HydrophobicContact CB-CB 3.94Å; P154-E196 WeakPolarHBondContact O-CB 3.47Å; P154-E196 PolarHBondContact O-N 2.88Å; T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 PolarHBondContact O-N 3.12Å; E196-C198 VanDerWaalsContact C-N 3.27Å; E196-C198 PolarHBondContact O-N 3.35Å; E196-G199 WeakPolarHBondContact O-CA 3.2Å; E196-G199 PolarHBondContact O-N 3.07Å |
| 197 | R | 97.3 | Very high | 96.6 | Very high | 188 Ų | 188 | 64.2 Ų | 64.2 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -31.1 | 179.9 | -173.6 | 164.5 | -179.8 | -174.1 | 1.3 | 112.4 | M193 T194 G199 | M193-R197 WeakPolarHBondContact SD-CD 3.38Å; M193-R197 HydrophobicContact SD-CG 3.9Å; M193-R197 PolarHBondContact SD-NE 3.25Å; M193-R197 VanDerWaalsContact SD-NE 3.42Å; T194-R197 PolarHBondContact O-N 3.48Å; T194-R197 VanDerWaalsContact OG1-CB 3.25Å; T194-R197 WeakPolarHBondContact OG1-CB 3.19Å; T194-R197 PolarHBondContact OG1-N 3.28Å; R197-G199 PolarHBondContact O-N 2.92Å |
| 198 | C | 96.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.1 | -16.1 | 171.4 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | F188 T194 L195 E196 I200 | F188-C198 HydrophobicContact CD1-CB 4.28Å; F188-C198 HydrophobicContact CE1-CB 3.74Å; F188-C198 HydrophobicContact CE2-CB 3.97Å; F188-C198 HydrophobicContact CZ-CB 3.57Å; F188-C198 WeakPolarHBondContact CZ-O 3.08Å; T194-C198 PolarHBondContact O-N 3.5Å; T194-C198 PolarHBondContact O-SG 2.95Å; L195-C198 PolarHBondContact O-N 3.42Å; E196-C198 VanDerWaalsContact C-N 3.27Å; E196-C198 PolarHBondContact O-N 3.35Å; C198-I200 VanDerWaalsContact C-N 3.34Å; C198-I200 HydrophobicContact CB-CD1 3.7Å; C198-I200 HydrophobicContact CB-CG1 3.79Å |
| 199 | G | 95.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 34.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L195 E196 R197 | L195-G199 PolarHBondContact O-N 3.47Å; E196-G199 WeakPolarHBondContact O-CA 3.2Å; E196-G199 PolarHBondContact O-N 3.07Å; R197-G199 PolarHBondContact O-N 2.92Å |
| 200 | I | 96.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 127 | 179.2 | -67 | 166 | 0 | 0 | 0 | 108.8 | L138 L158 T180 F188 L195 C198 L206 | L138-I200 HydrophobicContact CD1-CG2 4.13Å; L138-I200 HydrophobicContact CD2-CG2 3.71Å; L158-I200 HydrophobicContact CD2-CD1 3.92Å; T180-I200 HydrophobicContact CG2-CG1 4.41Å; F188-I200 HydrophobicContact CE2-CD1 4.16Å; F188-I200 HydrophobicContact CE2-CG1 4.28Å; L195-I200 HydrophobicContact CD2-CD1 3.44Å; L195-I200 VanDerWaalsContact CD2-CD1 3.44Å; L195-I200 PolarHBondContact O-N 3.05Å; L195-I200 VanDerWaalsContact O-N 3.08Å; C198-I200 VanDerWaalsContact C-N 3.34Å; C198-I200 HydrophobicContact CB-CD1 3.7Å; C198-I200 HydrophobicContact CB-CG1 3.79Å; I200-L206 HydrophobicContact CD1-CD1 4.15Å; I200-L206 HydrophobicContact CD1-CD2 3.98Å; I200-L206 HydrophobicContact CG1-CD2 4.33Å; I200-L206 HydrophobicContact CG2-CD2 4.29Å |
| 201 | L | 94.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 59.9 Ų | 59.9 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 160.8 | -176.8 | -58 | 177.9 | 0 | 0 | 0 | 111.3 | L138 R203 S204 | L138-L201 WeakPolarHBondContact CD2-O 3.32Å; L201-R203 PolarHBondContact O-N 3.02Å; L201-S204 VanDerWaalsContact C-OG 3.29Å; L201-S204 WeakPolarHBondContact CA-OG 3.27Å; L201-S204 PolarHBondContact N-OG 3.39Å; L201-S204 VanDerWaalsContact O-CB 3.32Å; L201-S204 WeakPolarHBondContact O-CB 3.36Å; L201-S204 PolarHBondContact O-N 2.73Å; L201-S204 PolarHBondContact O-OG 3.07Å |
| 202 | N | 95.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 63.4 Ų | 63.4 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.4 | 172.1 | -171.3 | 20.2 | 0 | 0 | 0 | 110.5 | L136 L137 S204 | L136-N202 HydrophobicContact CD2-CB 4.11Å; L137-N202 PolarHBondContact N-OD1 3.47Å; L137-N202 PolarHBondContact O-OD1 3.3Å; N202-S204 VanDerWaalsContact C-N 3.25Å; N202-S204 PolarHBondContact O-N 2.89Å |
| 203 | R | 95.9 | Very high | 92.8 | Very high | 195 Ų | 195 | 66.1 Ų | 66.1 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 21.6 | -175.8 | -57 | -173.2 | 172.3 | 142.5 | -1.9 | 115.4 | L137 L201 | L137-R203 WeakPolarHBondContact O-CA 3.16Å; L137-R203 PolarHBondContact O-N 3.21Å; L201-R203 PolarHBondContact O-N 3.02Å |
| 204 | S | 96.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.028 | 39% | 0.387 | C | S | . | . | trans | -71.3 | 153.2 | 170.7 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | A139 L201 N202 | A139-S204 PolarHBondContact N-O 2.91Å; A139-S204 VanDerWaalsContact N-O 3.11Å; L201-S204 VanDerWaalsContact C-OG 3.29Å; L201-S204 WeakPolarHBondContact CA-OG 3.27Å; L201-S204 PolarHBondContact N-OG 3.39Å; L201-S204 VanDerWaalsContact O-CB 3.32Å; L201-S204 WeakPolarHBondContact O-CB 3.36Å; L201-S204 PolarHBondContact O-N 2.73Å; L201-S204 PolarHBondContact O-OG 3.07Å; N202-S204 VanDerWaalsContact C-N 3.25Å; N202-S204 PolarHBondContact O-N 2.89Å | ||
| 205 | V | 97.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 35% | 0.345 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.5 | 172.8 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | A139 M181 | A139-V205 HydrophobicContact CB-CG1 4.45Å; A139-V205 HydrophobicContact CB-CG2 4.17Å; A139-V205 CarbonylContact O-C 3.59Å; A139-V205 WeakPolarHBondContact O-CA 3.41Å; M181-V205 HydrophobicContact CB-CB 3.99Å; M181-V205 HydrophobicContact CB-CG1 4.47Å; M181-V205 HydrophobicContact CG-CB 3.9Å; M181-V205 HydrophobicContact CG-CG1 3.83Å; M181-V205 PolarHBondContact N-O 3.29Å |
| 206 | L | 97.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.2 | 176.3 | -58.8 | -176.2 | 0 | 0 | 0 | 110.3 | L138 A139 V140 R141 V161 I178 E179 T180 L195 I200 | L138-L206 HydrophobicContact CD1-CD1 3.91Å; A139-L206 PolarHBondContact O-N 3.34Å; V140-L206 CarbonylContact C-O 3.56Å; V140-L206 WeakPolarHBondContact CA-O 3.12Å; R141-L206 PolarHBondContact N-O 3.3Å; V161-L206 HydrophobicContact CG1-CD1 4.14Å; I178-L206 HydrophobicContact CG2-CB 3.95Å; I178-L206 HydrophobicContact CG2-CD1 4.21Å; I178-L206 HydrophobicContact CG2-CD2 4.2Å; I178-L206 HydrophobicContact CG2-CG 4.35Å; E179-L206 CarbonylContact O-C 3.58Å; E179-L206 WeakPolarHBondContact O-CA 3.42Å; T180-L206 HydrophobicContact CG2-CD2 3.86Å; L195-L206 HydrophobicContact CD2-CD1 4.49Å; I200-L206 HydrophobicContact CD1-CD1 4.15Å; I200-L206 HydrophobicContact CD1-CD2 3.98Å; I200-L206 HydrophobicContact CG1-CD2 4.33Å; I200-L206 HydrophobicContact CG2-CD2 4.29Å |
| 207 | C | 97.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 8% | 0.081 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.7 | 173.1 | -68.5 | 0 | 0 | 0 | 0 | 110.2 | I178 E179 M181 | I178-C207 CarbonylContact C-O 3.56Å; I178-C207 WeakPolarHBondContact CA-O 2.89Å; E179-C207 PolarHBondContact N-O 3.41Å; E179-C207 PolarHBondContact O-N 2.92Å; M181-C207 PolarHBondContact SD-SG 3.11Å |
| 208 | I | 97.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.4 | 170.7 | -59.8 | 171.2 | 0 | 0 | 0 | 107.7 | V140 R141 P143 A165 Y173 A176 I178 | V140-I208 HydrophobicContact CG1-CD1 3.68Å; V140-I208 HydrophobicContact CG1-CG1 4.11Å; R141-I208 PolarHBondContact O-N 2.96Å; P143-I208 WeakPolarHBondContact CD-O 3.39Å; P143-I208 HydrophobicContact CG-CB 4.5Å; P143-I208 HydrophobicContact CG-CG2 4.12Å; P143-I208 WeakPolarHBondContact CG-O 3.34Å; A165-I208 HydrophobicContact CB-CD1 3.38Å; Y173-I208 HydrophobicContact CD2-CD1 4.49Å; Y173-I208 HydrophobicContact CD2-CG2 4.13Å; Y173-I208 HydrophobicContact CE2-CD1 4.44Å; Y173-I208 HydrophobicContact CG-CG2 4.3Å; A176-I208 HydrophobicContact CB-CG2 4.06Å; I178-I208 HydrophobicContact CG1-CG1 4.32Å |
| 209 | S | 94.8 | Very high | 88.4 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.2 | 176.5 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | A176 F177 | A176-S209 CarbonylContact C-O 3.58Å; A176-S209 WeakPolarHBondContact CA-O 2.97Å; F177-S209 VanDerWaalsContact CE2-CB 3.4Å; F177-S209 PolarHBondContact N-O 2.88Å; F177-S209 PolarHBondContact O-N 2.74Å |
| 210 | Q | 90.9 | Very high | 87.9 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.5 | 179.8 | -67.3 | 179.6 | 83.4 | 0 | 0 | 110.5 | P143 T175 A176 S212 | P143-Q210 HydrophobicContact CG-CG 4.31Å; T175-Q210 WeakPolarHBondContact O-CA 3.45Å; A176-Q210 HydrophobicContact CB-CG 4.23Å; Q210-S212 PolarHBondContact O-N 3.41Å |
| 211 | N | 84.9 | Confident | 87.3 | Confident | 91 Ų | 91 | 83.8 Ų | 83.8 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -74.7 | 112 | 165.8 | -72.2 | -5.3 | 0 | 0 | 0 | 108 | T175 F177 D213 | T175-N211 PolarHBondContact O-N 2.81Å; T175-N211 PolarHBondContact OG1-O 3.15Å; T175-N211 VanDerWaalsContact OG1-O 3.13Å; F177-N211 WeakPolarHBondContact CE1-OD1 3.28Å; N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact O-N 2.75Å | ||
| 212 | S | 69.1 | Low | 86.8 | Confident | 98 Ų | 98 | 81 Ų | 81 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | trans | -83.7 | 82.1 | 170.4 | 40.9 | 0 | 0 | 0 | 0 | 108.2 | Q210 H214 | Q210-S212 PolarHBondContact O-N 3.41Å; S212-H214 VanDerWaalsContact C-N 3.34Å; S212-H214 PolarHBondContact O-N 3.44Å; S212-H214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | D | 61.2 | Low | 86 | Confident | 145 Ų | 145 | 80.6 Ų | 80.6 | 78% | 0.775 | 41% | 0.41 | S | S | * | . | trans | -72.2 | 99.4 | 162.2 | -65.5 | -46.4 | 0 | 0 | 0 | 106.2 | N211 | N211-D213 VanDerWaalsContact C-N 3.31Å; N211-D213 PolarHBondContact O-N 2.75Å | ||
| 214 | H | 48.5 | Very low | 85.1 | Confident | 247 Ų | 247 | 70.2 Ų | 70.2 | 100% | 1.144 | 38% | 0.381 | S | S | * | . | trans | -95.9 | 0 | -179.3 | -120.1 | -60.9 | 0 | 0 | 0 | 111.1 | S212 | S212-H214 VanDerWaalsContact C-N 3.34Å; S212-H214 PolarHBondContact O-N 3.44Å; S212-H214 VanDerWaalsContact O-N 3.1Å |
Retrieved 214 of 214 residues in 29.3 ms
(Link to these results)