| 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 | 31.9 | Very low | 38.8 | Very low | 244 Ų | 244 | 150.7 Ų | 150.7 | 100% | 1.202 | 83% | 0.83 | S | S | * | * | 0 | 127.5 | 0 | -71.1 | 170.9 | -166 | 0 | 0 | 107.7 | |||||
| 2 | A | 32.1 | Very low | 39 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | 52.5 | 110.2 | 164 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 3 | A | 38.6 | Very low | 38.9 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -67.6 | 161.2 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | P | 49.2 | Very low | 39.4 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 71% | 0.714 | 83% | 0.832 | S | S | * | * | -148.6 | 156.6 | 100.4 | 36.1 | -18.3 | 0 | 0 | 0 | 116 | |||||
| 5 | F | 39.3 | Very low | 40.1 | Very low | 210 Ų | 210 | 149.9 Ų | 149.9 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | 28.2 | 133.7 | 134.6 | -77.3 | -111.4 | 0 | 0 | 0 | 118.4 | ||||
| 6 | G | 31.8 | Very low | 40.1 | Very low | 66 Ų | 66 | 152.6 Ų | 152.6 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | cis | 160.6 | 153.9 | 11.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | R | 43.2 | Very low | 40 | Very low | 243 Ų | 243 | 151.3 Ų | 151.3 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | 42.7 | 96 | 150.8 | -68.1 | 179.3 | 171.8 | -164.9 | -3.2 | 118.4 | ||||
| 8 | L | 34.9 | Very low | 40.2 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -155.2 | 85.2 | 135.8 | -146.6 | 69.6 | 0 | 0 | 0 | 106.3 | ||||
| 9 | L | 40.8 | Very low | 40.3 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 73% | 0.733 | 83% | 0.833 | S | S | * | * | 58.3 | 121.3 | 88.8 | -159.3 | 86.2 | 0 | 0 | 0 | 111.7 | |||||
| 10 | L | 44.9 | Very low | 40.5 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 73% | 0.728 | 84% | 0.836 | S | S | * | * | trans | 69.2 | 105.3 | 164 | -99.3 | 68.5 | 0 | 0 | 0 | 115.3 | ||||
| 11 | L | 40.7 | Very low | 40.1 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | 168.1 | -13.7 | 115.6 | -99.3 | 136.7 | 0 | 0 | 0 | 117.9 | |||||
| 12 | T | 40.9 | Very low | 40.8 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -125.4 | 51.4 | -162.9 | 58 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 13 | L | 37.9 | Very low | 40.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -129 | 47.4 | 162.8 | -105.7 | 151.7 | 0 | 0 | 0 | 110.7 | ||||
| 14 | V | 46 | Very low | 41 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -90.7 | 5.9 | 172 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 15 | L | 49.1 | Very low | 40.4 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -120 | 13.5 | -160.7 | -104.4 | 123.3 | 0 | 0 | 0 | 118.5 | ||||
| 16 | F | 41 | Very low | 40.6 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -134.9 | 88.9 | 173.1 | -100.4 | -94.1 | 0 | 0 | 0 | 111.8 | ||
| 17 | C | 38.1 | Very low | 41.2 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | trans | 171.1 | 57.3 | 132.2 | -89 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | C | 43.5 | Very low | 40.8 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 97% | 0.973 | 83% | 0.828 | S | S | * | * | trans | -101.6 | 95.3 | 155.4 | -159.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 19 | G | 42 | Very low | 41.1 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | trans | -169.1 | 67.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | S | 44.1 | Very low | 41 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 133.8 | 113.6 | 147.7 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 21 | G | 33.3 | Very low | 40.7 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 103.2 | 78.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G23 | G21-G23 PolarHBondContact O-N 2.85Š| ||
| 22 | C | 46.3 | Very low | 41.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 97% | 0.973 | 82% | 0.823 | S | S | * | * | trans | -70.7 | 108.5 | 153.4 | -171.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 23 | G | 33.6 | Very low | 42.4 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | -137.3 | 93.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | G21 | G21-G23 PolarHBondContact O-N 2.85Š| ||
| 24 | S | 41.4 | Very low | 43.8 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | 3.5 | 118.6 | 157.1 | -44.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 25 | G | 36.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 151.4 | 56.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R27 | G25-R27 PolarHBondContact O-N 2.91Š| ||
| 26 | L | 42.7 | Very low | 47.3 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 94% | 0.937 | 75% | 0.745 | S | S | * | * | trans | -65.4 | 93.1 | 151.3 | -164.5 | 84.4 | 0 | 0 | 0 | 106.9 | ||||
| 27 | R | 45.1 | Very low | 49.5 | Very low | 233 Ų | 233 | 110.4 Ų | 110.4 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -178 | 91.6 | 163 | -102.8 | 166.9 | -172.3 | -162.3 | 1.7 | 110 | G25 | G25-R27 PolarHBondContact O-N 2.91Š| ||
| 28 | A | 34.4 | Very low | 51.9 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | -116.9 | 94.8 | 125.8 | 0 | 0 | 0 | 0 | 0 | 102 | E30 | A28-E30 VanDerWaalsContact C-N 3.31Š| |||
| 29 | A | 41.1 | Very low | 54.2 | Low | 78 Ų | 78 | 111.6 Ų | 111.6 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | 27.8 | 80.2 | 74.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A31 | A29-A31 PolarHBondContact O-N 3.44Š| |||
| 30 | E | 38.3 | Very low | 56.5 | Low | 193 Ų | 193 | 109.1 Ų | 109.1 | 90% | 0.902 | 65% | 0.647 | S | S | * | * | trans | -46.9 | 100.3 | 147.2 | -71.2 | 173.9 | 138.7 | 0 | 0 | 104 | A28 E32 | A28-E30 VanDerWaalsContact C-N 3.31Å; E30-E32 VanDerWaalsContact C-N 3.33Å; E30-E32 PolarHBondContact O-N 3.2Å | ||
| 31 | A | 38 | Very low | 58.7 | Low | 85 Ų | 85 | 111.3 Ų | 111.3 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -55.6 | 116 | 157.4 | 0 | 0 | 0 | 0 | 0 | 102.7 | A29 E33 | A29-A31 PolarHBondContact O-N 3.44Å; A31-E33 PolarHBondContact O-N 3.4Å | ||
| 32 | E | 55.2 | Low | 61.3 | Low | 158 Ų | 158 | 114.5 Ų | 114.5 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | trans | -56.9 | 85.9 | 165.3 | -173.7 | -162.8 | 143.8 | 0 | 0 | 105.3 | E30 A34 | E30-E32 VanDerWaalsContact C-N 3.33Å; E30-E32 PolarHBondContact O-N 3.2Å; E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.84Å | ||
| 33 | E | 63.8 | Low | 63.4 | Low | 168 Ų | 168 | 111 Ų | 111 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -71 | 101.3 | 177 | -169 | 171.8 | 162.5 | 0 | 0 | 104.7 | A31 E35 | A31-E33 PolarHBondContact O-N 3.4Å; E33-E35 PolarHBondContact O-N 2.99Å; E33-E35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | A | 66 | Low | 66.2 | Low | 16 Ų | 16 | 111.1 Ų | 111.1 | 13% | 0.132 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -53.8 | 120.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E32 E86 | E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.84Å; A34-E86 HydrophobicContact CB-CG 4.3Å |
| 35 | E | 79.4 | Confident | 68.6 | Low | 102 Ų | 102 | 106.4 Ų | 106.4 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 144.2 | 177.6 | -71.7 | -174.5 | 148.8 | 0 | 0 | 109.9 | E33 C37 C79 R80 | E33-E35 PolarHBondContact O-N 2.99Å; E33-E35 VanDerWaalsContact O-N 3.12Å; E35-C37 PolarHBondContact O-N 3.38Å; E35-C79 WeakPolarHBondContact O-CB 3.16Å; E35-R80 PolarHBondContact O-N 3.23Å; E35-R80 VanDerWaalsContact O-N 3.16Å |
| 36 | D | 89.3 | Confident | 71.4 | Confident | 54 Ų | 54 | 109.2 Ų | 109.2 | 29% | 0.289 | 57% | 0.566 | S | S | . | * | B | Isolated β-bridge | trans | -61 | 134.8 | 174.2 | 178.2 | 80.2 | 0 | 0 | 0 | 109.7 | R38 H39 | D36-R38 PolarHBondContact O-N 3.01Å; D36-R38 WeakPolarHBondContact OD2-CB 3.47Å; D36-R38 VanDerWaalsContact OD2-CG 3.28Å; D36-R38 WeakPolarHBondContact OD2-CG 3.4Å; D36-R38 PolarHBondContact OD2-N 2.8Å; D36-R38 VanDerWaalsContact OD2-N 3.08Å; D36-H39 PolarHBondContact O-N 2.78Å; D36-H39 IonicContact OD2-CD2 2.66Å |
| 37 | C | 87.8 | Confident | 73.9 | Confident | 2 Ų | 2 | 102.4 Ų | 102.4 | 1% | 0.014 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -57.4 | -22.7 | -173.6 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | E35 H39 L40 C79 R80 F96 | E35-C37 PolarHBondContact O-N 3.38Å; C37-H39 VanDerWaalsContact C-N 3.29Å; C37-H39 PolarHBondContact O-N 3.31Å; C37-L40 WeakPolarHBondContact O-CG 3.37Å; C37-C79 VanDerWaalsContact CA-SG 3.57Å; C37-C79 HydrophobicContact CB-CB 3.95Å; C37-C79 WeakPolarHBondContact CB-SG 3.41Å; C37-C79 WeakPolarHBondContact SG-CB 3.29Å; C37-C79 CovalentContact SG-SG 2.03Å; C37-C79 PolarHBondContact SG-SG 3.49Å; C37-R80 PolarHBondContact N-O 2.93Å; C37-R80 PolarHBondContact SG-O 3.04Å; C37-F96 HydrophobicContact CB-CD1 4.12Å; C37-F96 VanDerWaalsContact O-CD1 3.26Å; C37-F96 WeakPolarHBondContact O-CD1 3.17Å; C37-F96 WeakPolarHBondContact O-CE1 3.29Å |
| 38 | R | 88.5 | Confident | 76.3 | Confident | 157 Ų | 157 | 97.5 Ų | 97.5 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -74.8 | -19.1 | 177.8 | -55.8 | 174.6 | 176.7 | -178.8 | 0.2 | 113.1 | D36 F96 | D36-R38 PolarHBondContact O-N 3.01Å; D36-R38 WeakPolarHBondContact OD2-CB 3.47Å; D36-R38 VanDerWaalsContact OD2-CG 3.28Å; D36-R38 WeakPolarHBondContact OD2-CG 3.4Å; D36-R38 PolarHBondContact OD2-N 2.8Å; D36-R38 VanDerWaalsContact OD2-N 3.08Å; R38-F96 HydrophobicContact CG-CB 4.38Å |
| 39 | H | 90.5 | Very high | 79.1 | Confident | 142 Ų | 142 | 99.4 Ų | 99.4 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -101.3 | 6.6 | -176.8 | -71.6 | -77.4 | 0 | 0 | 0 | 113.8 | D36 C37 | D36-H39 PolarHBondContact O-N 2.78Å; D36-H39 IonicContact OD2-CD2 2.66Å; C37-H39 VanDerWaalsContact C-N 3.29Å; C37-H39 PolarHBondContact O-N 3.31Å |
| 40 | L | 90.4 | Very high | 81.6 | Confident | 13 Ų | 13 | 97.2 Ų | 97.2 | 7% | 0.068 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 144.3 | 173.5 | -70.1 | 173.4 | 0 | 0 | 0 | 111.4 | C37 Q44 Y45 P73 V77 C79 F96 | C37-L40 WeakPolarHBondContact O-CG 3.37Å; L40-Q44 HydrophobicContact CB-CB 4.36Å; L40-Q44 HydrophobicContact CD2-CB 4.49Å; L40-Y45 HydrophobicContact CB-CD1 3.65Å; L40-Y45 HydrophobicContact CB-CE1 4.02Å; L40-Y45 VanDerWaalsContact O-CE1 3.26Å; L40-Y45 WeakPolarHBondContact O-CE1 3.41Å; L40-P73 HydrophobicContact CD1-CB 4.25Å; L40-P73 HydrophobicContact CD1-CG 4.39Å; L40-V77 HydrophobicContact CD1-CG1 4.4Å; L40-V77 HydrophobicContact CD2-CG1 3.88Å; L40-C79 HydrophobicContact CD2-CB 4.24Å; L40-F96 HydrophobicContact CD1-CE1 4.06Å |
| 41 | R | 90.5 | Very high | 84.3 | Confident | 176 Ų | 176 | 96 Ų | 96 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 154.7 | -179.1 | -60.4 | -175.6 | -178.5 | -178.6 | 2.4 | 111.2 | G43 Q44 Y45 | R41-G43 PolarHBondContact O-N 2.98Å; R41-Q44 HydrophobicContact CB-CG 4.5Å; R41-Q44 WeakPolarHBondContact O-CB 3.42Å; R41-Q44 PolarHBondContact O-N 2.86Å; R41-Y45 WeakPolarHBondContact O-CD1 3.39Å; R41-Y45 VanDerWaalsContact O-CE1 3.22Å; R41-Y45 WeakPolarHBondContact O-CE1 3.41Å |
| 42 | L | 89.4 | Confident | 87 | Confident | 145 Ų | 145 | 94 Ų | 94 | 76% | 0.759 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 124.5 | 172.5 | -63.5 | 171.1 | 0 | 0 | 0 | 109.2 | ||
| 43 | G | 89.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 74% | 0.742 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | -12.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R41 | R41-G43 PolarHBondContact O-N 2.98Š|
| 44 | Q | 92.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 89 Ų | 89 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -94.9 | -0.2 | 174.5 | -66.8 | 176.3 | -38.6 | 0 | 0 | 113.6 | L40 R41 A74 | L40-Q44 HydrophobicContact CB-CB 4.36Å; L40-Q44 HydrophobicContact CD2-CB 4.49Å; R41-Q44 HydrophobicContact CB-CG 4.5Å; R41-Q44 WeakPolarHBondContact O-CB 3.42Å; R41-Q44 PolarHBondContact O-N 2.86Å; Q44-A74 WeakPolarHBondContact O-CB 3.45Å; Q44-A74 PolarHBondContact O-N 3.08Å |
| 45 | Y | 93.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 92.2 Ų | 92.2 | 11% | 0.106 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161 | 176 | 61.6 | -83.7 | 0 | 0 | 0 | 110 | L40 R41 C71 L72 F96 R98 | L40-Y45 HydrophobicContact CB-CD1 3.65Å; L40-Y45 HydrophobicContact CB-CE1 4.02Å; L40-Y45 VanDerWaalsContact O-CE1 3.26Å; L40-Y45 WeakPolarHBondContact O-CE1 3.41Å; R41-Y45 WeakPolarHBondContact O-CD1 3.39Å; R41-Y45 VanDerWaalsContact O-CE1 3.22Å; R41-Y45 WeakPolarHBondContact O-CE1 3.41Å; Y45-C71 HydrophobicContact CD2-CB 4.15Å; Y45-L72 CarbonylContact C-O 3.46Å; Y45-L72 WeakPolarHBondContact CA-O 3.08Å; Y45-L72 WeakPolarHBondContact CB-O 3.22Å; Y45-F96 HydrophobicContact CD1-CZ 4.07Å; Y45-F96 HydrophobicContact CD2-CE1 4.38Å; Y45-F96 AromaticContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CE1-CZ 4.37Å; Y45-F96 AromaticContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CG-CE1 4.09Å; Y45-F96 AromaticContact CG-CZ 3.7Å; Y45-F96 HydrophobicContact CG-CZ 3.7Å; Y45-R98 PolarHBondContact OH-NH1 3.34Å; Y45-R98 PolarHBondContact OH-NH2 2.85Å; Y45-R98 VanDerWaalsContact OH-NH2 3.12Å |
| 46 | L | 94.9 | Very high | 92.2 | Very high | 129 Ų | 129 | 89.2 Ų | 89.2 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.9 | 174.6 | -179.5 | 65.1 | 0 | 0 | 0 | 109 | L72 | L46-L72 PolarHBondContact N-O 2.93Å; L46-L72 WeakPolarHBondContact O-CD1 3.38Å; L46-L72 PolarHBondContact O-N 3.44Å |
| 47 | C | 94.7 | Very high | 92.4 | Very high | 36 Ų | 36 | 88.3 Ų | 88.3 | 24% | 0.243 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141.9 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | V69 D70 C71 | C47-V69 HydrophobicContact CB-CG2 4.25Å; C47-D70 WeakPolarHBondContact CA-O 3.46Å; C47-C71 HydrophobicContact CB-CB 4.07Å; C47-C71 WeakPolarHBondContact CB-SG 3.15Å; C47-C71 WeakPolarHBondContact SG-CB 3.26Å; C47-C71 CovalentContact SG-SG 2.05Å; C47-C71 PolarHBondContact SG-SG 2.05Å |
| 48 | R | 94.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 88.7 Ų | 88.7 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 146.8 | 173.3 | -64.1 | -175.4 | 175.2 | 167.8 | 0.6 | 109.9 | D70 L72 | R48-D70 PolarHBondContact N-O 2.94Å; R48-L72 HydrophobicContact CG-CD1 3.57Å |
| 49 | D | 93.1 | Very high | 93 | Very high | 137 Ų | 137 | 81.9 Ų | 81.9 | 73% | 0.733 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 136 | 170.1 | -64.3 | -64.9 | 0 | 0 | 0 | 110 | ||
| 50 | P | 94.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 82 Ų | 82 | 21% | 0.208 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 147.9 | 175.8 | 25.1 | -30.2 | 0 | 0 | 0 | 110.5 | I52 P59 V69 | P50-I52 HydrophobicContact CB-CD1 4.41Å; P50-I52 HydrophobicContact CG-CD1 4.02Å; P50-I52 PolarHBondContact O-N 3.2Å; P50-P59 HydrophobicContact CB-CB 3.95Å; P50-P59 HydrophobicContact CB-CG 4.1Å; P50-P59 HydrophobicContact CG-CB 4.48Å; P50-P59 HydrophobicContact CG-CG 4.09Å; P50-V69 HydrophobicContact CB-CG1 3.74Å; P50-V69 HydrophobicContact CG-CG1 4.11Å |
| 51 | K | 94.4 | Very high | 93.3 | Very high | 166 Ų | 166 | 84.9 Ų | 84.9 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 124.1 | 168.4 | -64.7 | -175.6 | -178.9 | -178.7 | 0 | 109 | P59 E60 | K51-P59 WeakPolarHBondContact O-CA 3.42Å; K51-E60 PolarHBondContact O-N 2.03Å |
| 52 | I | 94.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 78.4 Ų | 78.4 | 23% | 0.226 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 135.1 | -177.1 | -53 | -54 | 0 | 0 | 0 | 109.3 | P50 P59 F174 | P50-I52 HydrophobicContact CB-CD1 4.41Å; P50-I52 HydrophobicContact CG-CD1 4.02Å; P50-I52 PolarHBondContact O-N 3.2Å; I52-P59 HydrophobicContact CD1-CG 4.29Å; I52-F174 HydrophobicContact CD1-CD2 3.5Å; I52-F174 VanDerWaalsContact CD1-CD2 3.5Å; I52-F174 HydrophobicContact CD1-CE1 4.45Å; I52-F174 HydrophobicContact CD1-CE2 3.36Å; I52-F174 HydrophobicContact CD1-CG 4.13Å; I52-F174 HydrophobicContact CD1-CZ 3.87Å; I52-F174 HydrophobicContact CG1-CD1 4.16Å; I52-F174 HydrophobicContact CG1-CD2 3.82Å; I52-F174 HydrophobicContact CG1-CE1 4.31Å; I52-F174 HydrophobicContact CG1-CE2 4Å; I52-F174 HydrophobicContact CG1-CG 3.91Å; I52-F174 HydrophobicContact CG1-CZ 4.23Å; I52-F174 HydrophobicContact CG2-CB 4.16Å; I52-F174 HydrophobicContact CG2-CD2 4.36Å; I52-F174 HydrophobicContact CG2-CG 4.36Å |
| 53 | D | 94.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 79.9 Ų | 79.9 | 31% | 0.31 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -79 | 127.6 | 172.1 | -179.9 | -48.6 | 0 | 0 | 0 | 109.8 | S55 T56 Q57 E58 | D53-S55 PolarHBondContact O-N 2.89Å; D53-S55 WeakPolarHBondContact OD1-CA 3.38Å; D53-S55 WeakPolarHBondContact OD1-CB 3.04Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.83Å; D53-T56 WeakPolarHBondContact CB-OG1 3.33Å; D53-T56 PolarHBondContact O-N 3.38Å; D53-T56 PolarHBondContact OD1-N 3.5Å; D53-Q57 VanDerWaalsContact O-CA 3.29Å; D53-Q57 WeakPolarHBondContact O-CA 3.4Å; D53-Q57 PolarHBondContact O-N 3.19Å; D53-E58 PolarHBondContact N-O 2.7Å |
| 54 | E | 93.7 | Very high | 93.7 | Very high | 164 Ų | 164 | 84.6 Ų | 84.6 | 77% | 0.766 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.6 | -177 | -67.1 | -63.7 | 154.7 | 0 | 0 | 113.4 | Q57 | E54-Q57 PolarHBondContact O-NE2 3.29Š|
| 55 | S | 92.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 82.6 Ų | 82.6 | 57% | 0.573 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -40.8 | -176.8 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | D53 | D53-S55 PolarHBondContact O-N 2.89Å; D53-S55 WeakPolarHBondContact OD1-CA 3.38Å; D53-S55 WeakPolarHBondContact OD1-CB 3.04Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.83Å |
| 56 | T | 93 | Very high | 93.6 | Very high | 40 Ų | 40 | 84.2 Ų | 84.2 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -20.4 | -176.4 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | D53 E58 V105 | D53-T56 WeakPolarHBondContact CB-OG1 3.33Å; D53-T56 PolarHBondContact O-N 3.38Å; D53-T56 PolarHBondContact OD1-N 3.5Å; T56-E58 PolarHBondContact O-N 2.97Å; T56-E58 PolarHBondContact OG1-N 3.21Å; T56-V105 HydrophobicContact CG2-CG2 4.06Å |
| 57 | Q | 95 | Very high | 93.6 | Very high | 34 Ų | 34 | 78.1 Ų | 78.1 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 57.7 | 24.2 | -172.7 | -59.7 | -71.9 | -54.8 | 0 | 0 | 112.8 | D53 E54 I171 V172 | D53-Q57 VanDerWaalsContact O-CA 3.29Å; D53-Q57 WeakPolarHBondContact O-CA 3.4Å; D53-Q57 PolarHBondContact O-N 3.19Å; E54-Q57 PolarHBondContact O-NE2 3.29Å; Q57-I171 HydrophobicContact CB-CG2 4.24Å; Q57-I171 HydrophobicContact CG-CG2 4Å; Q57-V172 WeakPolarHBondContact CB-O 3.47Å |
| 58 | E | 94.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 81.6 Ų | 81.6 | 5% | 0.051 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -119.4 | 164 | 176.1 | -65.6 | -71.9 | 155.3 | 0 | 0 | 109.9 | D53 T56 E60 R103 V105 R178 | D53-E58 PolarHBondContact N-O 2.7Å; T56-E58 PolarHBondContact O-N 2.97Å; T56-E58 PolarHBondContact OG1-N 3.21Å; E58-E60 PolarHBondContact O-N 2.8Å; E58-R103 PolarHBondContact OE2-N 2.79Å; E58-R103 VanDerWaalsContact OE2-N 3.12Å; E58-V105 HydrophobicContact CG-CG1 3.9Å; E58-V105 HydrophobicContact CG-CG2 3.9Å; E58-R178 IonicContact OE1-CZ 3.82Å; E58-R178 IonicContact OE1-NH1 3.94Å; E58-R178 PolarHBondContact OE1-NH1 3.48Å; E58-R178 IonicContact OE1-NH2 3.14Å; E58-R178 PolarHBondContact OE1-NH2 3.37Å; E58-R178 IonicContact OE2-NH1 2.7Å |
| 59 | P | 94.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 75.9 Ų | 75.9 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -57.1 | 136.6 | 175.1 | -26.7 | 36.5 | 0 | 0 | 0 | 113 | P50 K51 I52 N61 C62 A67 C102 | P50-P59 HydrophobicContact CB-CB 3.95Å; P50-P59 HydrophobicContact CB-CG 4.1Å; P50-P59 HydrophobicContact CG-CB 4.48Å; P50-P59 HydrophobicContact CG-CG 4.09Å; K51-P59 WeakPolarHBondContact O-CA 3.42Å; I52-P59 HydrophobicContact CD1-CG 4.29Å; P59-N61 PolarHBondContact O-N 2.88Å; P59-N61 VanDerWaalsContact O-N 3.13Å; P59-C62 VanDerWaalsContact O-CB 3.31Å; P59-C62 WeakPolarHBondContact O-CB 3.11Å; P59-C62 PolarHBondContact O-N 2.78Å; P59-C62 VanDerWaalsContact O-N 3.07Å; P59-A67 HydrophobicContact CB-CB 3.63Å; P59-A67 HydrophobicContact CG-CB 4.06Å; P59-C102 HydrophobicContact CG-CB 4.27Å |
| 60 | E | 93.5 | Very high | 93.6 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.6 | -178.8 | -169.3 | -178.9 | -178.5 | 0 | 0 | 112.8 | K51 E58 C62 | K51-E60 PolarHBondContact O-N 2.03Å; E58-E60 PolarHBondContact O-N 2.8Å; E60-C62 PolarHBondContact O-N 3.12Å |
| 61 | N | 93.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 37.3 | 178.7 | -168 | 26.6 | 0 | 0 | 0 | 113.1 | P59 R63 A67 | P59-N61 PolarHBondContact O-N 2.88Å; P59-N61 VanDerWaalsContact O-N 3.13Å; N61-R63 PolarHBondContact O-N 3.48Å; N61-A67 WeakPolarHBondContact O-CA 3.43Å; N61-A67 WeakPolarHBondContact O-CB 3.48Å |
| 62 | C | 93.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 27% | 0.27 | 33% | 0.33 | S | S | . | . | trans | -77.4 | 115.9 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | P59 E60 C102 | P59-C62 VanDerWaalsContact O-CB 3.31Å; P59-C62 WeakPolarHBondContact O-CB 3.11Å; P59-C62 PolarHBondContact O-N 2.78Å; P59-C62 VanDerWaalsContact O-N 3.07Å; E60-C62 PolarHBondContact O-N 3.12Å; C62-C102 WeakPolarHBondContact CA-SG 3.33Å; C62-C102 HydrophobicContact CB-CB 3.84Å; C62-C102 WeakPolarHBondContact CB-SG 3.37Å; C62-C102 WeakPolarHBondContact SG-CB 3.43Å; C62-C102 CovalentContact SG-SG 2.03Å; C62-C102 PolarHBondContact SG-SG 2.03Å | ||
| 63 | R | 91.4 | Very high | 93.6 | Very high | 176 Ų | 176 | 61.6 Ų | 61.6 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | B | Isolated β-bridge | trans | -131.9 | 132.8 | 173.6 | -64.8 | -174.9 | -175.9 | -158 | -1 | 109.5 | N61 G65 V66 | N61-R63 PolarHBondContact O-N 3.48Å; R63-G65 PolarHBondContact O-N 3.16Å; R63-V66 PolarHBondContact N-O 2.95Å; R63-V66 VanDerWaalsContact O-CG2 3.29Å; R63-V66 WeakPolarHBondContact O-CG2 3.46Å; R63-V66 PolarHBondContact O-N 3.44Å |
| 64 | D | 91.8 | Very high | 93.6 | Very high | 172 Ų | 172 | 60.2 Ų | 60.2 | 92% | 0.92 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.4 | 177.8 | -55.3 | -45.3 | 0 | 0 | 0 | 114.4 | ||
| 65 | G | 90.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 10.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R63 C102 | R63-G65 PolarHBondContact O-N 3.16Å; G65-C102 CarbonylContact C-O 3.55Å; G65-C102 VanDerWaalsContact CA-O 3.28Å; G65-C102 WeakPolarHBondContact CA-O 3.44Å; G65-C102 PolarHBondContact O-N 3.37Å |
| 66 | V | 94.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.4 | 173 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | R63 V100 C102 | R63-V66 PolarHBondContact N-O 2.95Å; R63-V66 VanDerWaalsContact O-CG2 3.29Å; R63-V66 WeakPolarHBondContact O-CG2 3.46Å; R63-V66 PolarHBondContact O-N 3.44Å; V66-V100 CarbonylContact C-O 3.57Å; V66-V100 WeakPolarHBondContact CA-O 3.5Å; V66-C102 PolarHBondContact N-SG 3.34Å |
| 67 | A | 95 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P59 N61 T99 V100 | P59-A67 HydrophobicContact CB-CB 3.63Å; P59-A67 HydrophobicContact CG-CB 4.06Å; N61-A67 WeakPolarHBondContact O-CA 3.43Å; N61-A67 WeakPolarHBondContact O-CB 3.48Å; A67-T99 CarbonylContact O-C 3.14Å; A67-T99 WeakPolarHBondContact O-CA 3.04Å; A67-V100 HydrophobicContact CB-CG2 4.04Å; A67-V100 PolarHBondContact N-O 3.12Å; A67-V100 VanDerWaalsContact O-CG2 3.29Å; A67-V100 WeakPolarHBondContact O-CG2 3.02Å; A67-V100 PolarHBondContact O-N 3.24Å |
| 68 | F | 93.8 | Very high | 93.3 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.3 | -179.5 | -63.3 | -86.1 | 0 | 0 | 0 | 110.7 | R98 T99 | F68-R98 WeakPolarHBondContact CA-O 3.15Å; F68-T99 HydrophobicContact CD1-CG2 3.92Å; F68-T99 HydrophobicContact CE1-CG2 3.61Å; F68-T99 HydrophobicContact CZ-CG2 4.29Å |
| 69 | V | 95.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.7 | 173 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | C47 P50 N97 R98 V100 | C47-V69 HydrophobicContact CB-CG2 4.25Å; P50-V69 HydrophobicContact CB-CG1 3.74Å; P50-V69 HydrophobicContact CG-CG1 4.11Å; V69-N97 CarbonylContact O-C 3.44Å; V69-N97 VanDerWaalsContact O-CA 3.3Å; V69-N97 WeakPolarHBondContact O-CA 3.31Å; V69-R98 HydrophobicContact CG2-CB 4.28Å; V69-R98 WeakPolarHBondContact CG2-O 3.2Å; V69-R98 PolarHBondContact N-O 3.12Å; V69-R98 PolarHBondContact O-N 2.98Å; V69-V100 HydrophobicContact CG1-CG1 4.43Å; V69-V100 HydrophobicContact CG1-CG2 3.64Å; V69-V100 HydrophobicContact CG2-CG1 3.86Å; V69-V100 HydrophobicContact CG2-CG2 4.22Å |
| 70 | D | 94.2 | Very high | 92.9 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.6 | 179.5 | -60.3 | -26.8 | 0 | 0 | 0 | 110 | C47 R48 V94 N97 | C47-D70 WeakPolarHBondContact CA-O 3.46Å; R48-D70 PolarHBondContact N-O 2.94Å; D70-V94 HydrophobicContact CB-CG1 3.81Å; D70-V94 HydrophobicContact CB-CG2 4Å; D70-N97 PolarHBondContact OD1-ND2 2.82Å; D70-N97 PolarHBondContact OD1-OD1 2.81Å |
| 71 | C | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.7 | 179.9 | -54 | 0 | 0 | 0 | 0 | 112.1 | Y45 C47 G95 F96 R98 | Y45-C71 HydrophobicContact CD2-CB 4.15Å; C47-C71 HydrophobicContact CB-CB 4.07Å; C47-C71 WeakPolarHBondContact CB-SG 3.15Å; C47-C71 WeakPolarHBondContact SG-CB 3.26Å; C47-C71 CovalentContact SG-SG 2.05Å; C47-C71 PolarHBondContact SG-SG 2.05Å; C71-G95 PolarHBondContact O-N 3.21Å; C71-F96 WeakPolarHBondContact CA-O 3.41Å; C71-F96 HydrophobicContact CB-CD1 4.32Å; C71-F96 HydrophobicContact CB-CD2 4.17Å; C71-F96 HydrophobicContact CB-CE1 3.93Å; C71-F96 HydrophobicContact CB-CE2 3.78Å; C71-F96 HydrophobicContact CB-CG 4.44Å; C71-F96 HydrophobicContact CB-CZ 3.66Å; C71-F96 WeakPolarHBondContact CB-O 3.35Å; C71-F96 PolarHBondContact N-O 3.32Å; C71-F96 PolarHBondContact O-N 3.46Å; C71-R98 VanDerWaalsContact SG-CB 3.57Å |
| 72 | L | 93.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.1 | -177.9 | -57.6 | 95.8 | 0 | 0 | 0 | 109.6 | Y45 L46 R48 G91 D92 | Y45-L72 CarbonylContact C-O 3.46Å; Y45-L72 WeakPolarHBondContact CA-O 3.08Å; Y45-L72 WeakPolarHBondContact CB-O 3.22Å; L46-L72 PolarHBondContact N-O 2.93Å; L46-L72 WeakPolarHBondContact O-CD1 3.38Å; L46-L72 PolarHBondContact O-N 3.44Å; R48-L72 HydrophobicContact CG-CD1 3.57Å; L72-G91 WeakPolarHBondContact CD2-O 3.36Å; L72-D92 VanDerWaalsContact CD2-C 3.42Å; L72-D92 WeakPolarHBondContact CD2-O 3.44Å |
| 73 | P | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 146.3 | 171.4 | -22.1 | 35 | 0 | 0 | 0 | 111.4 | L40 V77 F89 G91 | L40-P73 HydrophobicContact CD1-CB 4.25Å; L40-P73 HydrophobicContact CD1-CG 4.39Å; P73-V77 HydrophobicContact CB-CB 4.5Å; P73-F89 HydrophobicContact CB-CB 3.9Å; P73-F89 HydrophobicContact CB-CD1 4.34Å; P73-F89 HydrophobicContact CB-CD2 3.86Å; P73-F89 HydrophobicContact CB-CE2 4.49Å; P73-F89 HydrophobicContact CB-CG 3.76Å; P73-F89 HydrophobicContact CG-CB 4.35Å; P73-F89 HydrophobicContact CG-CD1 3.84Å; P73-F89 HydrophobicContact CG-CD2 3.76Å; P73-F89 HydrophobicContact CG-CE1 4Å; P73-F89 HydrophobicContact CG-CE2 3.95Å; P73-F89 HydrophobicContact CG-CG 3.7Å; P73-F89 HydrophobicContact CG-CZ 4.02Å; P73-G91 WeakPolarHBondContact O-CA 3.3Å |
| 74 | A | 94.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 153.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q44 N76 V77 | Q44-A74 WeakPolarHBondContact O-CB 3.45Å; Q44-A74 PolarHBondContact O-N 3.08Å; A74-N76 PolarHBondContact O-N 2.82Å; A74-V77 HydrophobicContact CB-CG2 3.89Å; A74-V77 WeakPolarHBondContact O-CB 3.26Å; A74-V77 WeakPolarHBondContact O-CG2 3.28Å; A74-V77 PolarHBondContact O-N 3.2Å |
| 75 | P | 94.4 | Very high | 91.6 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 138.5 | 178.6 | 23.4 | -34.7 | 0 | 0 | 0 | 111.5 | V77 S90 | P75-V77 VanDerWaalsContact C-N 3.27Å; P75-V77 PolarHBondContact O-N 2.86Å; P75-S90 WeakPolarHBondContact CB-O 3.4Å |
| 76 | N | 91.9 | Very high | 91.5 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 14.1 | -178.3 | -55.1 | -56.1 | 0 | 0 | 0 | 115.9 | A74 R88 F89 | A74-N76 PolarHBondContact O-N 2.82Å; N76-R88 PolarHBondContact OD1-NH1 3.49Å; N76-F89 PolarHBondContact N-O 3.13Å |
| 77 | V | 90.6 | Very high | 91.3 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | trans | -81.8 | 132 | 168.2 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | L40 P73 A74 P75 F89 | L40-V77 HydrophobicContact CD1-CG1 4.4Å; L40-V77 HydrophobicContact CD2-CG1 3.88Å; P73-V77 HydrophobicContact CB-CB 4.5Å; A74-V77 HydrophobicContact CB-CG2 3.89Å; A74-V77 WeakPolarHBondContact O-CB 3.26Å; A74-V77 WeakPolarHBondContact O-CG2 3.28Å; A74-V77 PolarHBondContact O-N 3.2Å; P75-V77 VanDerWaalsContact C-N 3.27Å; P75-V77 PolarHBondContact O-N 2.86Å; V77-F89 PolarHBondContact O-N 3.3Å | ||
| 78 | T | 91 | Very high | 91.1 | Very high | 63 Ų | 63 | 64.8 Ų | 64.8 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.2 | 169.6 | 40.7 | 0 | 0 | 0 | 0 | 109 | R88 | T78-R88 HydrophobicContact CG2-CB 3.8Å; T78-R88 HydrophobicContact CG2-CG 3.63Å |
| 79 | C | 89.9 | Confident | 91 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 161.7 | 172.3 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | E35 C37 L40 V87 F89 | E35-C79 WeakPolarHBondContact O-CB 3.16Å; C37-C79 VanDerWaalsContact CA-SG 3.57Å; C37-C79 HydrophobicContact CB-CB 3.95Å; C37-C79 WeakPolarHBondContact CB-SG 3.41Å; C37-C79 WeakPolarHBondContact SG-CB 3.29Å; C37-C79 CovalentContact SG-SG 2.03Å; C37-C79 PolarHBondContact SG-SG 3.49Å; L40-C79 HydrophobicContact CD2-CB 4.24Å; C79-V87 PolarHBondContact N-O 3.26Å; C79-V87 PolarHBondContact O-N 2.77Å; C79-F89 WeakPolarHBondContact SG-CE2 3.5Å |
| 80 | R | 91.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 63.5 Ų | 63.5 | 45% | 0.445 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | 178.4 | -166.4 | 175.6 | -175.9 | -156.5 | -5.2 | 110.1 | E35 C37 G84 E86 | E35-R80 PolarHBondContact O-N 3.23Å; E35-R80 VanDerWaalsContact O-N 3.16Å; C37-R80 PolarHBondContact N-O 2.93Å; C37-R80 PolarHBondContact SG-O 3.04Å; R80-G84 PolarHBondContact NE-O 2.94Å; R80-E86 HydrophobicContact CB-CG 4.41Å; R80-E86 HydrophobicContact CG-CG 4.38Å |
| 81 | L | 89.4 | Confident | 90.5 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | trans | -68.6 | 164.5 | 173.7 | -82.4 | 72.9 | 0 | 0 | 0 | 110.4 | N83 G84 T85 V87 F89 | L81-N83 PolarHBondContact O-N 2.87Å; L81-G84 PolarHBondContact O-N 2.99Å; L81-T85 PolarHBondContact N-O 2.89Å; L81-V87 HydrophobicContact CD1-CB 3.94Å; L81-V87 HydrophobicContact CD1-CG2 3.67Å; L81-F89 HydrophobicContact CD1-CE2 4.1Å; L81-F89 HydrophobicContact CD1-CZ 3.63Å; L81-F89 HydrophobicContact CG-CZ 4.47Å | ||
| 82 | S | 85 | Confident | 90.3 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.8 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | G84 | S82-G84 VanDerWaalsContact C-N 3.3Š|
| 83 | N | 87.3 | Confident | 90.2 | Very high | 140 Ų | 140 | 71.8 Ų | 71.8 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5 | 173.8 | -160.6 | 17.6 | 0 | 0 | 0 | 113.1 | L81 T85 | L81-N83 PolarHBondContact O-N 2.87Å; N83-T85 VanDerWaalsContact C-N 3.28Å; N83-T85 PolarHBondContact O-N 2.61Å |
| 84 | G | 84.8 | Confident | 90.1 | Very high | 30 Ų | 30 | 74.7 Ų | 74.7 | 31% | 0.309 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 80.5 | 0.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R80 L81 S82 | R80-G84 PolarHBondContact NE-O 2.94Å; L81-G84 PolarHBondContact O-N 2.99Å; S82-G84 VanDerWaalsContact C-N 3.3Å |
| 85 | T | 87.8 | Confident | 89.9 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | trans | -80.8 | 130.5 | 179.4 | -27.5 | 0 | 0 | 0 | 0 | 110.6 | L81 N83 V87 | L81-T85 PolarHBondContact N-O 2.89Å; N83-T85 VanDerWaalsContact C-N 3.28Å; N83-T85 PolarHBondContact O-N 2.61Å; T85-V87 HydrophobicContact CG2-CG2 4.33Å | ||
| 86 | E | 89.6 | Confident | 89.8 | Confident | 134 Ų | 134 | 70.7 Ų | 70.7 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.6 | 172.4 | -70.1 | 175.3 | -173.2 | 0 | 0 | 109.4 | A34 R80 | A34-E86 HydrophobicContact CB-CG 4.3Å; R80-E86 HydrophobicContact CB-CG 4.41Å; R80-E86 HydrophobicContact CG-CG 4.38Å |
| 87 | V | 88.9 | Confident | 89.8 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.2 | -178.4 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | C79 L81 T85 F89 | C79-V87 PolarHBondContact N-O 3.26Å; C79-V87 PolarHBondContact O-N 2.77Å; L81-V87 HydrophobicContact CD1-CB 3.94Å; L81-V87 HydrophobicContact CD1-CG2 3.67Å; T85-V87 HydrophobicContact CG2-CG2 4.33Å; V87-F89 HydrophobicContact CB-CE2 4.14Å; V87-F89 HydrophobicContact CB-CZ 4.27Å |
| 88 | R | 91.6 | Very high | 89.9 | Confident | 166 Ų | 166 | 73.5 Ų | 73.5 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.8 | 172.3 | -165.2 | 167.4 | 80.1 | 95 | 7.1 | 108.5 | N76 T78 | N76-R88 PolarHBondContact OD1-NH1 3.49Å; T78-R88 HydrophobicContact CG2-CB 3.8Å; T78-R88 HydrophobicContact CG2-CG 3.63Å |
| 89 | F | 90.5 | Very high | 90 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.035 | 40% | 0.397 | C | S | . | . | trans | -84.9 | 143.4 | -170.2 | -70.3 | -89.2 | 0 | 0 | 0 | 112.5 | P73 N76 V77 C79 L81 V87 E93 | P73-F89 HydrophobicContact CB-CB 3.9Å; P73-F89 HydrophobicContact CB-CD1 4.34Å; P73-F89 HydrophobicContact CB-CD2 3.86Å; P73-F89 HydrophobicContact CB-CE2 4.49Å; P73-F89 HydrophobicContact CB-CG 3.76Å; P73-F89 HydrophobicContact CG-CB 4.35Å; P73-F89 HydrophobicContact CG-CD1 3.84Å; P73-F89 HydrophobicContact CG-CD2 3.76Å; P73-F89 HydrophobicContact CG-CE1 4Å; P73-F89 HydrophobicContact CG-CE2 3.95Å; P73-F89 HydrophobicContact CG-CG 3.7Å; P73-F89 HydrophobicContact CG-CZ 4.02Å; N76-F89 PolarHBondContact N-O 3.13Å; V77-F89 PolarHBondContact O-N 3.3Å; C79-F89 WeakPolarHBondContact SG-CE2 3.5Å; L81-F89 HydrophobicContact CD1-CE2 4.1Å; L81-F89 HydrophobicContact CD1-CZ 3.63Å; L81-F89 HydrophobicContact CG-CZ 4.47Å; V87-F89 HydrophobicContact CB-CE2 4.14Å; V87-F89 HydrophobicContact CB-CZ 4.27Å; F89-E93 HydrophobicContact CD1-CB 4.11Å; F89-E93 HydrophobicContact CE1-CB 4.47Å | ||
| 90 | S | 91.5 | Very high | 90.2 | Very high | 84 Ų | 84 | 76.9 Ų | 76.9 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | trans | -87.2 | -15.7 | 175.5 | -166 | 0 | 0 | 0 | 0 | 113.7 | P75 | P75-S90 WeakPolarHBondContact CB-O 3.4Š| ||
| 91 | G | 87.4 | Confident | 90.3 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 19% | 0.186 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 113.6 | -21.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L72 P73 | L72-G91 WeakPolarHBondContact CD2-O 3.36Å; P73-G91 WeakPolarHBondContact O-CA 3.3Å |
| 92 | D | 90.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 71% | 0.711 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -106.9 | -5 | -173.6 | -65.5 | -42.6 | 0 | 0 | 0 | 114.4 | L72 | L72-D92 VanDerWaalsContact CD2-C 3.42Å; L72-D92 WeakPolarHBondContact CD2-O 3.44Å |
| 93 | E | 91.3 | Very high | 90.7 | Very high | 103 Ų | 103 | 73.2 Ų | 73.2 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -94 | 144.2 | -177.6 | -62.6 | 175.2 | 172.5 | 0 | 0 | 111.3 | F89 G95 | F89-E93 HydrophobicContact CD1-CB 4.11Å; F89-E93 HydrophobicContact CE1-CB 4.47Å; E93-G95 PolarHBondContact O-N 3.49Å |
| 94 | V | 91.7 | Very high | 91 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 38% | 0.376 | 40% | 0.4 | S | S | . | . | trans | -76.4 | 117.8 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | D70 | D70-V94 HydrophobicContact CB-CG1 3.81Å; D70-V94 HydrophobicContact CB-CG2 4Å | ||
| 95 | G | 90.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 72 Ų | 72 | 12% | 0.124 | 39% | 0.39 | C | S | . | . | trans | -92.1 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C71 E93 | C71-G95 PolarHBondContact O-N 3.21Å; E93-G95 PolarHBondContact O-N 3.49Å | ||
| 96 | F | 92.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 163.9 | -177.1 | 65.7 | -81.6 | 0 | 0 | 0 | 111.4 | C37 R38 L40 Y45 C71 R98 | C37-F96 HydrophobicContact CB-CD1 4.12Å; C37-F96 VanDerWaalsContact O-CD1 3.26Å; C37-F96 WeakPolarHBondContact O-CD1 3.17Å; C37-F96 WeakPolarHBondContact O-CE1 3.29Å; R38-F96 HydrophobicContact CG-CB 4.38Å; L40-F96 HydrophobicContact CD1-CE1 4.06Å; Y45-F96 HydrophobicContact CD1-CZ 4.07Å; Y45-F96 HydrophobicContact CD2-CE1 4.38Å; Y45-F96 AromaticContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CD2-CZ 3.65Å; Y45-F96 HydrophobicContact CE1-CZ 4.37Å; Y45-F96 AromaticContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CE2-CZ 3.97Å; Y45-F96 HydrophobicContact CG-CE1 4.09Å; Y45-F96 AromaticContact CG-CZ 3.7Å; Y45-F96 HydrophobicContact CG-CZ 3.7Å; C71-F96 WeakPolarHBondContact CA-O 3.41Å; C71-F96 HydrophobicContact CB-CD1 4.32Å; C71-F96 HydrophobicContact CB-CD2 4.17Å; C71-F96 HydrophobicContact CB-CE1 3.93Å; C71-F96 HydrophobicContact CB-CE2 3.78Å; C71-F96 HydrophobicContact CB-CG 4.44Å; C71-F96 HydrophobicContact CB-CZ 3.66Å; C71-F96 WeakPolarHBondContact CB-O 3.35Å; C71-F96 PolarHBondContact N-O 3.32Å; C71-F96 PolarHBondContact O-N 3.46Å; F96-R98 HydrophobicContact CE2-CB 4.45Å |
| 97 | N | 93.3 | Very high | 91.6 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.2 | 177.4 | -64.6 | 7.4 | 0 | 0 | 0 | 109.8 | V69 D70 | V69-N97 CarbonylContact O-C 3.44Å; V69-N97 VanDerWaalsContact O-CA 3.3Å; V69-N97 WeakPolarHBondContact O-CA 3.31Å; D70-N97 PolarHBondContact OD1-ND2 2.82Å; D70-N97 PolarHBondContact OD1-OD1 2.81Å |
| 98 | R | 92.1 | Very high | 91.9 | Very high | 109 Ų | 109 | 67.6 Ų | 67.6 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.2 | 176.4 | -156.4 | 179 | -158.8 | -178.4 | 11.7 | 110.4 | Y45 F68 V69 C71 F96 | Y45-R98 PolarHBondContact OH-NH1 3.34Å; Y45-R98 PolarHBondContact OH-NH2 2.85Å; Y45-R98 VanDerWaalsContact OH-NH2 3.12Å; F68-R98 WeakPolarHBondContact CA-O 3.15Å; V69-R98 HydrophobicContact CG2-CB 4.28Å; V69-R98 WeakPolarHBondContact CG2-O 3.2Å; V69-R98 PolarHBondContact N-O 3.12Å; V69-R98 PolarHBondContact O-N 2.98Å; C71-R98 VanDerWaalsContact SG-CB 3.57Å; F96-R98 HydrophobicContact CE2-CB 4.45Å |
| 99 | T | 93.6 | Very high | 92 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.8 | 173.3 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | A67 F68 | A67-T99 CarbonylContact O-C 3.14Å; A67-T99 WeakPolarHBondContact O-CA 3.04Å; F68-T99 HydrophobicContact CD1-CG2 3.92Å; F68-T99 HydrophobicContact CE1-CG2 3.61Å; F68-T99 HydrophobicContact CZ-CG2 4.29Å |
| 100 | V | 93.5 | Very high | 92.2 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.4 | 168.8 | -79.2 | 0 | 0 | 0 | 0 | 108.7 | V66 A67 V69 | V66-V100 CarbonylContact C-O 3.57Å; V66-V100 WeakPolarHBondContact CA-O 3.5Å; A67-V100 HydrophobicContact CB-CG2 4.04Å; A67-V100 PolarHBondContact N-O 3.12Å; A67-V100 VanDerWaalsContact O-CG2 3.29Å; A67-V100 WeakPolarHBondContact O-CG2 3.02Å; A67-V100 PolarHBondContact O-N 3.24Å; V69-V100 HydrophobicContact CG1-CG1 4.43Å; V69-V100 HydrophobicContact CG1-CG2 3.64Å; V69-V100 HydrophobicContact CG2-CG1 3.86Å; V69-V100 HydrophobicContact CG2-CG2 4.22Å |
| 101 | A | 92.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 80% | 0.802 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 102 | C | 92.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 8% | 0.081 | 38% | 0.38 | C | S | . | . | trans | -132.7 | 168 | 173.7 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | P59 C62 G65 V66 | P59-C102 HydrophobicContact CG-CB 4.27Å; C62-C102 WeakPolarHBondContact CA-SG 3.33Å; C62-C102 HydrophobicContact CB-CB 3.84Å; C62-C102 WeakPolarHBondContact CB-SG 3.37Å; C62-C102 WeakPolarHBondContact SG-CB 3.43Å; C62-C102 CovalentContact SG-SG 2.03Å; C62-C102 PolarHBondContact SG-SG 2.03Å; G65-C102 CarbonylContact C-O 3.55Å; G65-C102 VanDerWaalsContact CA-O 3.28Å; G65-C102 WeakPolarHBondContact CA-O 3.44Å; G65-C102 PolarHBondContact O-N 3.37Å; V66-C102 PolarHBondContact N-SG 3.34Å | ||
| 103 | R | 91.4 | Very high | 92.9 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | trans | -114.2 | 149.1 | 180 | -59.8 | -171 | -166.4 | 164.5 | 1.8 | 111.3 | E58 V105 S169 R178 | E58-R103 PolarHBondContact OE2-N 2.79Å; E58-R103 VanDerWaalsContact OE2-N 3.12Å; R103-V105 HydrophobicContact CB-CG1 4.36Å; R103-V105 PolarHBondContact O-N 2.83Å; R103-S169 VanDerWaalsContact CD-OG 3.31Å; R103-S169 WeakPolarHBondContact CD-OG 3.12Å; R103-R178 VanDerWaalsContact CZ-NE 3.32Å | ||
| 104 | N | 92.3 | Very high | 93.1 | Very high | 126 Ų | 126 | 58.1 Ų | 58.1 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | trans | -77.4 | 102.7 | 167.1 | -167.2 | 11.5 | 0 | 0 | 0 | 108.6 | S169 | N104-S169 PolarHBondContact O-N 2.92Š| ||
| 105 | V | 93.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.1 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | T56 E58 R103 S169 I171 | T56-V105 HydrophobicContact CG2-CG2 4.06Å; E58-V105 HydrophobicContact CG-CG1 3.9Å; E58-V105 HydrophobicContact CG-CG2 3.9Å; R103-V105 HydrophobicContact CB-CG1 4.36Å; R103-V105 PolarHBondContact O-N 2.83Å; V105-S169 WeakPolarHBondContact CA-O 2.81Å; V105-I171 HydrophobicContact CB-CG1 4Å; V105-I171 HydrophobicContact CG2-CG1 4.12Å |
| 106 | T | 90.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 179.2 | 169.8 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | Y108 S168 I171 | T106-Y108 PolarHBondContact O-N 3.07Å; T106-Y108 WeakPolarHBondContact OG1-CD2 3.31Å; T106-Y108 VanDerWaalsContact OG1-CE2 3.27Å; T106-Y108 WeakPolarHBondContact OG1-CE2 3.22Å; T106-S168 VanDerWaalsContact CG2-CB 3.41Å; T106-S168 WeakPolarHBondContact CG2-OG 3.36Å; T106-S168 PolarHBondContact OG1-OG 3.11Å; T106-I171 WeakPolarHBondContact O-CD1 3.5Å; T106-I171 VanDerWaalsContact O-CG1 3.31Å; T106-I171 WeakPolarHBondContact O-CG1 3.39Å |
| 107 | G | 91.8 | Very high | 93.6 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 17.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y129 | G107-Y129 PolarHBondContact O-OH 3.01Å |
| 108 | Y | 94.1 | Very high | 93.6 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 108.5 | 173.9 | -53 | -73.5 | 0 | 0 | 0 | 111.3 | T106 Y129 P164 D166 I171 | T106-Y108 PolarHBondContact O-N 3.07Å; T106-Y108 WeakPolarHBondContact OG1-CD2 3.31Å; T106-Y108 VanDerWaalsContact OG1-CE2 3.27Å; T106-Y108 WeakPolarHBondContact OG1-CE2 3.22Å; Y108-Y129 WeakPolarHBondContact CA-OH 3.21Å; Y108-Y129 HydrophobicContact CD1-CD1 4.37Å; Y108-Y129 HydrophobicContact CD1-CE1 4.06Å; Y108-Y129 HydrophobicContact CD1-CE2 4.34Å; Y108-Y129 VanDerWaalsContact CD1-O 3.27Å; Y108-Y129 WeakPolarHBondContact CD1-O 3.41Å; Y108-Y129 WeakPolarHBondContact CE1-O 3.45Å; Y108-P164 HydrophobicContact CD2-CB 3.4Å; Y108-P164 VanDerWaalsContact CD2-CB 3.4Å; Y108-P164 HydrophobicContact CD2-CG 3.45Å; Y108-P164 VanDerWaalsContact CD2-CG 3.45Å; Y108-P164 HydrophobicContact CE2-CB 3.64Å; Y108-P164 HydrophobicContact CE2-CG 4.22Å; Y108-P164 HydrophobicContact CG-CB 4.02Å; Y108-P164 HydrophobicContact CG-CG 3.81Å; Y108-D166 WeakPolarHBondContact CE2-OD2 3.34Å; Y108-D166 PolarHBondContact OH-OD2 3.44Å; Y108-I171 PolarHBondContact O-N 3.22Å |
| 109 | S | 95 | Very high | 93.6 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.6 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | K111 V112 A113 Y129 | S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 3.28Å; S109-V112 PolarHBondContact O-N 3.24Å; S109-A113 PolarHBondContact O-N 3.03Å; S109-Y129 PolarHBondContact N-OH 2.88Å |
| 110 | Y | 94.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.7 | 173.8 | -106.1 | 0 | 0 | 0 | 112.4 | V112 A113 V114 I157 A158 Q160 Y170 I171 V172 | Y110-V112 VanDerWaalsContact C-N 3.28Å; Y110-V112 PolarHBondContact O-N 3.39Å; Y110-A113 PolarHBondContact O-N 2.88Å; Y110-V114 HydrophobicContact CD1-CG2 4.31Å; Y110-V114 HydrophobicContact CD2-CG2 4.08Å; Y110-V114 HydrophobicContact CE1-CG2 3.9Å; Y110-V114 HydrophobicContact CE2-CG2 3.66Å; Y110-V114 HydrophobicContact CG-CG2 4.39Å; Y110-V114 WeakPolarHBondContact O-CG2 3.31Å; Y110-V114 PolarHBondContact O-N 3.27Å; Y110-I157 WeakPolarHBondContact CE2-O 3.41Å; Y110-A158 PolarHBondContact OH-O 2.97Å; Y110-Q160 HydrophobicContact CD2-CG 4Å; Y110-Q160 HydrophobicContact CE2-CG 3.51Å; Y110-Y170 HydrophobicContact CD2-CD2 4.41Å; Y110-Y170 HydrophobicContact CD2-CG 4.46Å; Y110-I171 WeakPolarHBondContact CB-O 3.36Å; Y110-I171 PolarHBondContact N-O 3Å; Y110-V172 HydrophobicContact CG-CG2 4.24Å |
| 111 | K | 94.3 | Very high | 93.3 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | -179.2 | -65.7 | 163.4 | 84.8 | 164.7 | 0 | 111.7 | S109 A115 D173 | S109-K111 VanDerWaalsContact C-N 3.33Å; S109-K111 PolarHBondContact O-N 3.28Å; K111-A115 WeakPolarHBondContact O-CB 3.28Å; K111-A115 PolarHBondContact O-N 3.19Å; K111-D173 IonicContact NZ-OD1 3.7Å; K111-D173 IonicContact NZ-OD2 2.82Å; K111-D173 PolarHBondContact NZ-OD2 3.44Å |
| 112 | V | 95 | Very high | 93.1 | Very high | 63 Ų | 63 | 59 Ų | 59 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.4 | -45.9 | 177.1 | 179 | 0 | 0 | 0 | 0 | 110.3 | S109 Y110 V114 A115 L116 Y129 | S109-V112 PolarHBondContact O-N 3.24Å; Y110-V112 VanDerWaalsContact C-N 3.28Å; Y110-V112 PolarHBondContact O-N 3.39Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 2.92Å; V112-A115 PolarHBondContact O-N 3.34Å; V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 HydrophobicContact CG1-CG 4.12Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 VanDerWaalsContact O-CG 3.28Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.01Å; V112-Y129 HydrophobicContact CB-CE1 4.49Å; V112-Y129 HydrophobicContact CG1-CE1 4.37Å; V112-Y129 HydrophobicContact CG1-CE2 4.25Å |
| 113 | A | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S109 Y110 L116 S117 Y129 L130 I157 Y170 | S109-A113 PolarHBondContact O-N 3.03Å; Y110-A113 PolarHBondContact O-N 2.88Å; A113-L116 PolarHBondContact O-N 3.01Å; A113-S117 WeakPolarHBondContact O-CB 3.44Å; A113-S117 PolarHBondContact O-N 3.26Å; A113-Y129 HydrophobicContact CB-CD1 4.02Å; A113-Y129 HydrophobicContact CB-CE1 4.04Å; A113-L130 HydrophobicContact CB-CD2 4.43Å; A113-I157 HydrophobicContact CB-CG2 4.08Å; A113-Y170 HydrophobicContact CB-CE1 4.14Å |
| 114 | V | 95.3 | Very high | 93 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | Y110 V112 S117 L118 F154 I157 | Y110-V114 HydrophobicContact CD1-CG2 4.31Å; Y110-V114 HydrophobicContact CD2-CG2 4.08Å; Y110-V114 HydrophobicContact CE1-CG2 3.9Å; Y110-V114 HydrophobicContact CE2-CG2 3.66Å; Y110-V114 HydrophobicContact CG-CG2 4.39Å; Y110-V114 WeakPolarHBondContact O-CG2 3.31Å; Y110-V114 PolarHBondContact O-N 3.27Å; V112-V114 VanDerWaalsContact C-N 3.34Å; V112-V114 PolarHBondContact O-N 2.92Å; V114-S117 PolarHBondContact O-N 3.39Å; V114-L118 PolarHBondContact O-N 3.39Å; V114-F154 HydrophobicContact CG1-CE2 3.91Å; V114-I157 HydrophobicContact CG2-CG2 3.92Å |
| 115 | A | 96.1 | Very high | 93 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | K111 V112 S117 L118 F119 | K111-A115 WeakPolarHBondContact O-CB 3.28Å; K111-A115 PolarHBondContact O-N 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.7Å; A115-L118 PolarHBondContact O-N 2.7Å; A115-F119 HydrophobicContact CB-CD2 4.44Å; A115-F119 WeakPolarHBondContact O-CD2 3.29Å; A115-F119 PolarHBondContact O-N 2.83Å |
| 116 | L | 95.1 | Very high | 93 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 176.2 | -72.7 | 176.7 | 0 | 0 | 0 | 112 | V112 A113 L120 G121 Y129 | V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 HydrophobicContact CG1-CG 4.12Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 VanDerWaalsContact O-CG 3.28Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.01Å; A113-L116 PolarHBondContact O-N 3.01Å; L116-L120 CarbonylContact O-C 3.58Å; L116-L120 VanDerWaalsContact O-CA 3.27Å; L116-L120 WeakPolarHBondContact O-CA 3.35Å; L116-L120 PolarHBondContact O-N 2.9Å; L116-G121 PolarHBondContact O-N 3.42Å; L116-Y129 HydrophobicContact CD1-CD1 4.23Å; L116-Y129 HydrophobicContact CD1-CD2 4.02Å; L116-Y129 HydrophobicContact CD1-CG 3.72Å |
| 117 | S | 93.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.3 | -162.6 | 0 | 0 | 0 | 0 | 112 | A113 V114 A115 G121 D126 F154 | A113-S117 WeakPolarHBondContact O-CB 3.44Å; A113-S117 PolarHBondContact O-N 3.26Å; V114-S117 PolarHBondContact O-N 3.39Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-S117 PolarHBondContact O-N 2.7Å; S117-G121 WeakPolarHBondContact O-CA 3.28Å; S117-G121 PolarHBondContact O-N 2.74Å; S117-D126 PolarHBondContact OG-OD2 2.96Å; S117-F154 WeakPolarHBondContact OG-CA 3.32Å; S117-F154 PolarHBondContact OG-N 2.89Å |
| 118 | L | 92.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 51.2 Ų | 51.2 | 56% | 0.56 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70 | -47.7 | 178.8 | -172.4 | 67.9 | 0 | 0 | 0 | 112.8 | V114 A115 F154 | V114-L118 PolarHBondContact O-N 3.39Å; A115-L118 PolarHBondContact O-N 2.7Å; L118-F154 HydrophobicContact CB-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CE2 4.36Å |
| 119 | F | 92.9 | Very high | 93.3 | Very high | 142 Ų | 142 | 51.8 Ų | 51.8 | 62% | 0.623 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -92.7 | -37.3 | -172.2 | -64 | -65.9 | 0 | 0 | 0 | 113.6 | A115 W122 | A115-F119 HydrophobicContact CB-CD2 4.44Å; A115-F119 WeakPolarHBondContact O-CD2 3.29Å; A115-F119 PolarHBondContact O-N 2.83Å; F119-W122 PolarHBondContact O-NE1 3.43Å |
| 120 | L | 92.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -119.9 | 16.4 | -175.1 | -75.5 | 78.6 | 0 | 0 | 0 | 112.5 | L116 W122 L123 G124 A125 | L116-L120 CarbonylContact O-C 3.58Å; L116-L120 VanDerWaalsContact O-CA 3.27Å; L116-L120 WeakPolarHBondContact O-CA 3.35Å; L116-L120 PolarHBondContact O-N 2.9Å; L120-W122 VanDerWaalsContact C-N 3.27Å; L120-W122 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 3.18Å; L120-G124 PolarHBondContact O-N 2.93Å; L120-A125 HydrophobicContact CB-CB 3.57Å; L120-A125 HydrophobicContact CD2-CB 4.19Å; L120-A125 PolarHBondContact O-N 2.9Å |
| 121 | G | 88.2 | Confident | 93.3 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -63.5 | -31 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | L116 S117 L123 G124 T150 | L116-G121 PolarHBondContact O-N 3.42Å; S117-G121 WeakPolarHBondContact O-CA 3.28Å; S117-G121 PolarHBondContact O-N 2.74Å; G121-L123 PolarHBondContact O-N 3Å; G121-G124 WeakPolarHBondContact O-CA 3.31Å; G121-G124 PolarHBondContact O-N 3.45Å; G121-T150 VanDerWaalsContact C-CG2 3.43Å |
| 122 | W | 86.8 | Confident | 93.3 | Very high | 131 Ų | 131 | 46.6 Ų | 46.6 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -67.7 | -24.3 | 178 | 63.4 | -83.8 | 0 | 0 | 0 | 113.1 | F119 L120 G144 T150 | F119-W122 PolarHBondContact O-NE1 3.43Å; L120-W122 VanDerWaalsContact C-N 3.27Å; L120-W122 PolarHBondContact O-N 2.82Å; W122-G144 PolarHBondContact O-N 3.49Å; W122-T150 HydrophobicContact CB-CG2 3.77Å; W122-T150 VanDerWaalsContact N-CG2 3.27Å |
| 123 | L | 90.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -86.6 | -9.8 | 170.2 | -64.9 | 173.9 | 0 | 0 | 0 | 112.6 | L120 G121 A125 F140 | L120-L123 PolarHBondContact O-N 3.18Å; G121-L123 PolarHBondContact O-N 3Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-F140 HydrophobicContact CD2-CD2 3.78Å; L123-F140 HydrophobicContact CD2-CE2 3.79Å |
| 124 | G | 91 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 19.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L120 G121 D126 R127 F128 | L120-G124 PolarHBondContact O-N 2.93Å; G121-G124 WeakPolarHBondContact O-CA 3.31Å; G121-G124 PolarHBondContact O-N 3.45Å; G124-D126 PolarHBondContact O-N 3.18Å; G124-R127 PolarHBondContact O-N 3.35Å; G124-F128 WeakPolarHBondContact O-CD2 3.37Å; G124-F128 PolarHBondContact O-N 3.41Å; G124-F128 VanDerWaalsContact O-N 3.13Å |
| 125 | A | 93.8 | Very high | 93 | Very high | 21 Ų | 21 | 54 Ų | 54 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -32.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L120 L123 F128 Y129 | L120-A125 HydrophobicContact CB-CB 3.57Å; L120-A125 HydrophobicContact CD2-CB 4.19Å; L120-A125 PolarHBondContact O-N 2.9Å; L123-A125 VanDerWaalsContact C-N 3.35Å; A125-F128 PolarHBondContact O-N 3.47Å; A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 3.34Å |
| 126 | D | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.2 | 62.7 | -20.8 | 0 | 0 | 0 | 112.8 | S117 G124 Y129 L130 K139 D153 I157 | S117-D126 PolarHBondContact OG-OD2 2.96Å; G124-D126 PolarHBondContact O-N 3.18Å; D126-Y129 PolarHBondContact O-N 2.88Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.02Å; D126-K139 IonicContact OD1-NZ 3.1Å; D126-K139 PolarHBondContact OD1-NZ 3.07Å; D126-K139 IonicContact OD2-NZ 2.7Å; D126-K139 PolarHBondContact OD2-NZ 3.35Å; D126-D153 WeakPolarHBondContact OD2-CB 2.99Å; D126-I157 HydrophobicContact CB-CD1 3.79Å |
| 127 | R | 93.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.8 | -36.2 | 176.5 | -65.7 | -62.8 | 177 | -164.4 | -1.6 | 112.4 | G124 Y129 L130 G131 Y132 L135 K139 D153 | G124-R127 PolarHBondContact O-N 3.35Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; R127-L130 PolarHBondContact O-N 2.89Å; R127-G131 PolarHBondContact O-N 2.98Å; R127-Y132 CarbonylContact O-C 3.6Å; R127-Y132 WeakPolarHBondContact O-CA 3.14Å; R127-Y132 PolarHBondContact O-N 3.28Å; R127-L135 HydrophobicContact CB-CB 4.34Å; R127-L135 HydrophobicContact CG-CB 4.2Å; R127-K139 HydrophobicContact CG-CD 4.25Å; R127-K139 VanDerWaalsContact CG-CE 3.44Å; R127-K139 VanDerWaalsContact CG-NZ 3.28Å; R127-D153 IonicContact CZ-OD1 2.89Å; R127-D153 IonicContact NE-OD1 2.95Å; R127-D153 PolarHBondContact NE-OD1 3.1Å; R127-D153 IonicContact NH2-OD1 3.2Å; R127-D153 PolarHBondContact NH2-OD1 2.99Å |
| 128 | F | 94.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.4 | -70.1 | -62.1 | 0 | 0 | 0 | 111.7 | G124 A125 L130 G131 P133 G136 L137 | G124-F128 WeakPolarHBondContact O-CD2 3.37Å; G124-F128 PolarHBondContact O-N 3.41Å; G124-F128 VanDerWaalsContact O-N 3.13Å; A125-F128 PolarHBondContact O-N 3.47Å; F128-L130 VanDerWaalsContact C-N 3.3Å; F128-L130 PolarHBondContact O-N 2.98Å; F128-G131 PolarHBondContact O-N 3.49Å; F128-P133 HydrophobicContact CD1-CB 4.25Å; F128-P133 HydrophobicContact CE1-CB 4.2Å; F128-P133 VanDerWaalsContact CE1-O 3.3Å; F128-P133 WeakPolarHBondContact CE1-O 3.25Å; F128-G136 VanDerWaalsContact CE2-C 3.47Å; F128-L137 HydrophobicContact CZ-CB 4.23Å |
| 129 | Y | 94.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 176.9 | -178.8 | -111.6 | 0 | 0 | 0 | 112.3 | G107 Y108 S109 V112 A113 L116 A125 D126 R127 G131 | G107-Y129 PolarHBondContact O-OH 3.01Å; Y108-Y129 WeakPolarHBondContact CA-OH 3.21Å; Y108-Y129 HydrophobicContact CD1-CD1 4.37Å; Y108-Y129 HydrophobicContact CD1-CE1 4.06Å; Y108-Y129 HydrophobicContact CD1-CE2 4.34Å; Y108-Y129 VanDerWaalsContact CD1-O 3.27Å; Y108-Y129 WeakPolarHBondContact CD1-O 3.41Å; Y108-Y129 WeakPolarHBondContact CE1-O 3.45Å; S109-Y129 PolarHBondContact N-OH 2.88Å; V112-Y129 HydrophobicContact CB-CE1 4.49Å; V112-Y129 HydrophobicContact CG1-CE1 4.37Å; V112-Y129 HydrophobicContact CG1-CE2 4.25Å; A113-Y129 HydrophobicContact CB-CD1 4.02Å; A113-Y129 HydrophobicContact CB-CE1 4.04Å; L116-Y129 HydrophobicContact CD1-CD1 4.23Å; L116-Y129 HydrophobicContact CD1-CD2 4.02Å; L116-Y129 HydrophobicContact CD1-CG 3.72Å; A125-Y129 WeakPolarHBondContact O-CB 3.34Å; A125-Y129 PolarHBondContact O-N 3.34Å; D126-Y129 PolarHBondContact O-N 2.88Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; Y129-G131 VanDerWaalsContact C-N 3.27Å; Y129-G131 PolarHBondContact O-N 3.22Å |
| 130 | L | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 0.7 | 180 | -63.3 | 176.2 | 0 | 0 | 0 | 114.5 | A113 D126 R127 F128 Y132 I157 P164 A165 Y170 | A113-L130 HydrophobicContact CB-CD2 4.43Å; D126-L130 VanDerWaalsContact O-CG 3.26Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.02Å; R127-L130 PolarHBondContact O-N 2.89Å; F128-L130 VanDerWaalsContact C-N 3.3Å; F128-L130 PolarHBondContact O-N 2.98Å; L130-Y132 HydrophobicContact CB-CD2 3.73Å; L130-Y132 HydrophobicContact CB-CE2 3.96Å; L130-I157 HydrophobicContact CD1-CD1 4.03Å; L130-I157 HydrophobicContact CD1-CG1 4.23Å; L130-P164 HydrophobicContact CD2-CG 4.34Å; L130-A165 VanDerWaalsContact O-CB 3.31Å; L130-A165 WeakPolarHBondContact O-CB 3.31Å; L130-A165 PolarHBondContact O-N 3Å; L130-Y170 VanDerWaalsContact CD1-OH 3.32Å; L130-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L130-Y170 HydrophobicContact CD2-CE1 3.41Å; L130-Y170 VanDerWaalsContact CD2-CE1 3.41Å; L130-Y170 WeakPolarHBondContact CD2-OH 3.43Å |
| 131 | G | 94.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 22.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | R127 F128 Y129 P133 | R127-G131 PolarHBondContact O-N 2.98Å; F128-G131 PolarHBondContact O-N 3.49Å; Y129-G131 VanDerWaalsContact C-N 3.27Å; Y129-G131 PolarHBondContact O-N 3.22Å; G131-P133 WeakPolarHBondContact O-CD 3.24Å |
| 132 | Y | 94.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 57 Ų | 57 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | trans | -106.8 | 73 | 174.2 | -61.1 | -74.1 | 0 | 0 | 0 | 112.1 | R127 L130 A134 L135 G136 V162 G163 A165 | R127-Y132 CarbonylContact O-C 3.6Å; R127-Y132 WeakPolarHBondContact O-CA 3.14Å; R127-Y132 PolarHBondContact O-N 3.28Å; L130-Y132 HydrophobicContact CB-CD2 3.73Å; L130-Y132 HydrophobicContact CB-CE2 3.96Å; Y132-A134 PolarHBondContact O-N 3.37Å; Y132-L135 HydrophobicContact CD1-CD1 4.41Å; Y132-L135 HydrophobicContact CG-CD1 4.37Å; Y132-L135 PolarHBondContact O-N 3.18Å; Y132-G136 PolarHBondContact O-N 2.95Å; Y132-V162 HydrophobicContact CE2-CG1 4.08Å; Y132-G163 WeakPolarHBondContact CE2-O 3.05Å; Y132-G163 PolarHBondContact OH-O 3.32Å; Y132-A165 HydrophobicContact CD1-CB 4.29Å; Y132-A165 HydrophobicContact CE1-CB 3.92Å; Y132-A165 HydrophobicContact CE2-CB 4.27Å | ||
| 133 | P | 93.7 | Very high | 91.4 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | -171.8 | 26.6 | -35.4 | 0 | 0 | 0 | 113.5 | F128 G131 G136 L137 | F128-P133 HydrophobicContact CD1-CB 4.25Å; F128-P133 HydrophobicContact CE1-CB 4.2Å; F128-P133 VanDerWaalsContact CE1-O 3.3Å; F128-P133 WeakPolarHBondContact CE1-O 3.25Å; G131-P133 WeakPolarHBondContact O-CD 3.24Å; P133-G136 PolarHBondContact O-N 2.86Å; P133-L137 WeakPolarHBondContact O-CB 3.27Å; P133-L137 PolarHBondContact O-N 3.4Å |
| 134 | A | 93.9 | Very high | 90.3 | Very high | 81 Ų | 81 | 53.5 Ų | 53.5 | 67% | 0.669 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y132 L137 L138 | Y132-A134 PolarHBondContact O-N 3.37Å; A134-L137 PolarHBondContact O-N 3.4Å; A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 PolarHBondContact O-N 2.7Å |
| 135 | L | 91.4 | Very high | 89 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 176.5 | -66.9 | 176.4 | 0 | 0 | 0 | 111.6 | R127 Y132 L138 K139 | R127-L135 HydrophobicContact CB-CB 4.34Å; R127-L135 HydrophobicContact CG-CB 4.2Å; Y132-L135 HydrophobicContact CD1-CD1 4.41Å; Y132-L135 HydrophobicContact CG-CD1 4.37Å; Y132-L135 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 2.65Å; L135-K139 VanDerWaalsContact O-N 3.14Å |
| 136 | G | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F128 Y132 P133 L138 K139 F140 | F128-G136 VanDerWaalsContact CE2-C 3.47Å; Y132-G136 PolarHBondContact O-N 2.95Å; P133-G136 PolarHBondContact O-N 2.86Å; G136-L138 PolarHBondContact O-N 3.39Å; G136-K139 PolarHBondContact O-N 3.23Å; G136-F140 PolarHBondContact O-N 2.99Å |
| 137 | L | 92.3 | Very high | 87.7 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 179.9 | -173.2 | 63.7 | 0 | 0 | 0 | 112.1 | F128 P133 A134 K139 F140 C141 | F128-L137 HydrophobicContact CZ-CB 4.23Å; P133-L137 WeakPolarHBondContact O-CB 3.27Å; P133-L137 PolarHBondContact O-N 3.4Å; A134-L137 PolarHBondContact O-N 3.4Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 3.3Å; L137-F140 HydrophobicContact CD1-CD1 4.27Å; L137-F140 PolarHBondContact O-N 3.15Å; L137-C141 WeakPolarHBondContact O-CB 3.14Å; L137-C141 PolarHBondContact O-N 3.26Å; L137-C141 PolarHBondContact O-SG 3.38Å |
| 138 | L | 91 | Very high | 87.4 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 174.8 | -175.4 | 150.4 | 0 | 0 | 0 | 111.4 | A134 L135 G136 T142 | A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 PolarHBondContact O-N 2.7Å; L135-L138 PolarHBondContact O-N 3.23Å; G136-L138 PolarHBondContact O-N 3.39Å; L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 WeakPolarHBondContact O-CG2 2.99Å; L138-T142 PolarHBondContact O-N 3.27Å; L138-T142 PolarHBondContact O-OG1 3.43Å |
| 139 | K | 88.3 | Confident | 87.2 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.6 | -68.1 | 176.5 | -174.6 | -166 | 0 | 112.1 | D126 R127 L135 G136 L137 T142 V143 G144 D153 | D126-K139 IonicContact OD1-NZ 3.1Å; D126-K139 PolarHBondContact OD1-NZ 3.07Å; D126-K139 IonicContact OD2-NZ 2.7Å; D126-K139 PolarHBondContact OD2-NZ 3.35Å; R127-K139 HydrophobicContact CG-CD 4.25Å; R127-K139 VanDerWaalsContact CG-CE 3.44Å; R127-K139 VanDerWaalsContact CG-NZ 3.28Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 2.65Å; L135-K139 VanDerWaalsContact O-N 3.14Å; G136-K139 PolarHBondContact O-N 3.23Å; L137-K139 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 3.3Å; K139-T142 WeakPolarHBondContact CA-OG1 3.32Å; K139-T142 CarbonylContact O-C 3.51Å; K139-T142 PolarHBondContact O-N 3.08Å; K139-T142 PolarHBondContact O-OG1 3.47Å; K139-T142 VanDerWaalsContact O-OG1 3.08Å; K139-V143 PolarHBondContact O-N 3.42Å; K139-V143 VanDerWaalsContact O-N 3.11Å; K139-G144 PolarHBondContact O-N 2.93Å; K139-D153 WeakPolarHBondContact CE-OD1 3.42Å; K139-D153 WeakPolarHBondContact CE-OD2 3.25Å; K139-D153 IonicContact NZ-OD1 2.63Å; K139-D153 PolarHBondContact NZ-OD1 2.66Å; K139-D153 VanDerWaalsContact NZ-OD1 3.1Å; K139-D153 IonicContact NZ-OD2 3.17Å; K139-D153 PolarHBondContact NZ-OD2 3.05Å |
| 140 | F | 89.9 | Confident | 86.9 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 179.8 | 179.3 | -103.4 | 0 | 0 | 0 | 112 | L123 G136 L137 T142 V143 | L123-F140 HydrophobicContact CD2-CD2 3.78Å; L123-F140 HydrophobicContact CD2-CE2 3.79Å; G136-F140 PolarHBondContact O-N 2.99Å; L137-F140 HydrophobicContact CD1-CD1 4.27Å; L137-F140 PolarHBondContact O-N 3.15Å; F140-T142 PolarHBondContact O-N 3.2Å; F140-V143 PolarHBondContact O-N 3.01Å; F140-V143 VanDerWaalsContact O-N 3.15Å |
| 141 | C | 88 | Confident | 86.7 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 64% | 0.635 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.2 | -24.4 | 178.8 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | L137 | L137-C141 WeakPolarHBondContact O-CB 3.14Å; L137-C141 PolarHBondContact O-N 3.26Å; L137-C141 PolarHBondContact O-SG 3.38Å |
| 142 | T | 85.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.288 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.3 | -178.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | L138 K139 F140 G144 F145 | L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 WeakPolarHBondContact O-CG2 2.99Å; L138-T142 PolarHBondContact O-N 3.27Å; L138-T142 PolarHBondContact O-OG1 3.43Å; K139-T142 WeakPolarHBondContact CA-OG1 3.32Å; K139-T142 CarbonylContact O-C 3.51Å; K139-T142 PolarHBondContact O-N 3.08Å; K139-T142 PolarHBondContact O-OG1 3.47Å; K139-T142 VanDerWaalsContact O-OG1 3.08Å; F140-T142 PolarHBondContact O-N 3.2Å; T142-G144 PolarHBondContact O-N 3.13Å; T142-F145 HydrophobicContact CG2-CD2 3.63Å; T142-F145 HydrophobicContact CG2-CE2 3.34Å; T142-F145 HydrophobicContact CG2-CZ 4.32Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-F145 VanDerWaalsContact OG1-CD2 3.32Å; T142-F145 WeakPolarHBondContact OG1-CD2 3.27Å |
| 143 | V | 77.7 | Confident | 86.5 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | 48.9 | 44.1 | -175.8 | -164.5 | 0 | 0 | 0 | 0 | 110.8 | K139 F140 F145 | K139-V143 PolarHBondContact O-N 3.42Å; K139-V143 VanDerWaalsContact O-N 3.11Å; F140-V143 PolarHBondContact O-N 3.01Å; F140-V143 VanDerWaalsContact O-N 3.15Å; V143-F145 VanDerWaalsContact C-N 3.27Å; V143-F145 PolarHBondContact O-N 3.29Å |
| 144 | G | 67.4 | Low | 86.5 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | 69.9 | 12.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | W122 K139 T142 G147 G149 | W122-G144 PolarHBondContact O-N 3.49Å; K139-G144 PolarHBondContact O-N 2.93Å; T142-G144 PolarHBondContact O-N 3.13Å; G144-G147 PolarHBondContact O-N 3.06Å; G144-G149 PolarHBondContact O-N 2.94Å |
| 145 | F | 65.1 | Low | 86.5 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | 52.8 | 56.5 | -177.4 | -108.6 | -77.7 | 0 | 0 | 0 | 113.3 | T142 V143 G147 I148 | T142-F145 HydrophobicContact CG2-CD2 3.63Å; T142-F145 HydrophobicContact CG2-CE2 3.34Å; T142-F145 HydrophobicContact CG2-CZ 4.32Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-F145 VanDerWaalsContact OG1-CD2 3.32Å; T142-F145 WeakPolarHBondContact OG1-CD2 3.27Å; V143-F145 VanDerWaalsContact C-N 3.27Å; V143-F145 PolarHBondContact O-N 3.29Å; F145-G147 PolarHBondContact O-N 3.49Å; F145-I148 PolarHBondContact O-N 2.93Å |
| 146 | C | 78.5 | Confident | 86.6 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 89% | 0.892 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | 62 | 21.6 | 176 | -122.9 | 0 | 0 | 0 | 0 | 115.4 | I148 | C146-I148 VanDerWaalsContact C-N 3.3Å; C146-I148 PolarHBondContact O-N 2.99Å |
| 147 | G | 80.1 | Confident | 86.7 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | 85.8 | -8.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G144 F145 T150 L151 | G144-G147 PolarHBondContact O-N 3.06Å; F145-G147 PolarHBondContact O-N 3.49Å; G147-T150 WeakPolarHBondContact CA-OG1 3.15Å; G147-T150 PolarHBondContact O-OG1 3.27Å; G147-L151 PolarHBondContact O-N 3.44Å |
| 148 | I | 88.5 | Confident | 86.8 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72 | -43.4 | 174.8 | -61.3 | 174.4 | 0 | 0 | 0 | 110 | F145 C146 T150 L151 I152 | F145-I148 PolarHBondContact O-N 2.93Å; C146-I148 VanDerWaalsContact C-N 3.3Å; C146-I148 PolarHBondContact O-N 2.99Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.23Å; I148-L151 PolarHBondContact O-N 3.12Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.27Å; I148-I152 PolarHBondContact O-N 2.92Å |
| 149 | G | 88.5 | Confident | 86.9 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.4 | -50.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G144 L151 I152 D153 | G144-G149 PolarHBondContact O-N 2.94Å; G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 3.45Å; G149-I152 PolarHBondContact O-N 3.35Å; G149-I152 VanDerWaalsContact O-N 3.13Å; G149-D153 PolarHBondContact O-N 3.17Å |
| 150 | T | 89 | Confident | 87.1 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 18% | 0.184 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | -180 | 67.2 | 0 | 0 | 0 | 0 | 113 | G121 W122 G147 I148 F154 | G121-T150 VanDerWaalsContact C-CG2 3.43Å; W122-T150 HydrophobicContact CB-CG2 3.77Å; W122-T150 VanDerWaalsContact N-CG2 3.27Å; G147-T150 WeakPolarHBondContact CA-OG1 3.15Å; G147-T150 PolarHBondContact O-OG1 3.27Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.23Å; T150-F154 WeakPolarHBondContact O-CB 3.49Å; T150-F154 PolarHBondContact O-N 2.66Å |
| 151 | L | 91.8 | Very high | 87.1 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 176.4 | -177.8 | 64.8 | 0 | 0 | 0 | 112 | G147 I148 G149 D153 F154 I155 | G147-L151 PolarHBondContact O-N 3.44Å; I148-L151 PolarHBondContact O-N 3.12Å; G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 3.45Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 2.63Å; L151-F154 PolarHBondContact O-N 2.65Å; L151-I155 HydrophobicContact CD1-CD1 4.38Å; L151-I155 HydrophobicContact CG-CD1 4.15Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.32Å |
| 152 | I | 91.9 | Very high | 87.3 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 46% | 0.462 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.7 | -69.1 | 169.5 | 0 | 0 | 0 | 110.2 | I148 G149 I155 L156 | I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 HydrophobicContact CG2-CG1 4.38Å; I148-I152 WeakPolarHBondContact O-CG1 3.27Å; I148-I152 PolarHBondContact O-N 2.92Å; G149-I152 PolarHBondContact O-N 3.35Å; G149-I152 VanDerWaalsContact O-N 3.13Å; I152-I155 PolarHBondContact O-N 3.18Å; I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.32Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.3Å; I152-L156 PolarHBondContact O-N 3.12Å |
| 153 | D | 91.3 | Very high | 87.6 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | -179.8 | -67.4 | -73.6 | 0 | 0 | 0 | 112.9 | D126 R127 K139 G149 L151 I155 L156 I157 | D126-D153 WeakPolarHBondContact OD2-CB 2.99Å; R127-D153 IonicContact CZ-OD1 2.89Å; R127-D153 IonicContact NE-OD1 2.95Å; R127-D153 PolarHBondContact NE-OD1 3.1Å; R127-D153 IonicContact NH2-OD1 3.2Å; R127-D153 PolarHBondContact NH2-OD1 2.99Å; K139-D153 WeakPolarHBondContact CE-OD1 3.42Å; K139-D153 WeakPolarHBondContact CE-OD2 3.25Å; K139-D153 IonicContact NZ-OD1 2.63Å; K139-D153 PolarHBondContact NZ-OD1 2.66Å; K139-D153 VanDerWaalsContact NZ-OD1 3.1Å; K139-D153 IonicContact NZ-OD2 3.17Å; K139-D153 PolarHBondContact NZ-OD2 3.05Å; G149-D153 PolarHBondContact O-N 3.17Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-D153 PolarHBondContact O-N 2.63Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.5Å; D153-L156 PolarHBondContact O-N 3.19Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 2.81Å |
| 154 | F | 94.1 | Very high | 88.4 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 173 | 172.2 | -101 | 0 | 0 | 0 | 111.1 | V114 S117 L118 T150 L151 L156 I157 A158 | V114-F154 HydrophobicContact CG1-CE2 3.91Å; S117-F154 WeakPolarHBondContact OG-CA 3.32Å; S117-F154 PolarHBondContact OG-N 2.89Å; L118-F154 HydrophobicContact CB-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CD2 4.48Å; L118-F154 HydrophobicContact CD1-CE2 4.36Å; T150-F154 WeakPolarHBondContact O-CB 3.49Å; T150-F154 PolarHBondContact O-N 2.66Å; L151-F154 PolarHBondContact O-N 2.65Å; F154-L156 PolarHBondContact O-N 3.06Å; F154-I157 PolarHBondContact O-N 3.13Å; F154-A158 WeakPolarHBondContact O-CB 3.36Å; F154-A158 PolarHBondContact O-N 3.33Å |
| 155 | I | 94.7 | Very high | 89.7 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.8 | -68.7 | 166 | 0 | 0 | 0 | 110.9 | L151 I152 D153 I157 A158 M159 | L151-I155 HydrophobicContact CD1-CD1 4.38Å; L151-I155 HydrophobicContact CG-CD1 4.15Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.32Å; I152-I155 PolarHBondContact O-N 3.18Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.5Å; I155-I157 PolarHBondContact O-N 3.18Å; I155-A158 PolarHBondContact O-N 2.85Å; I155-M159 HydrophobicContact CG2-CE 3.55Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.08Å; I155-M159 WeakPolarHBondContact O-CB 3.14Å; I155-M159 VanDerWaalsContact O-CG 3.31Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.21Å |
| 156 | L | 93.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -179.7 | -72.8 | 174.2 | 0 | 0 | 0 | 113.2 | I152 D153 F154 M161 V162 | I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.32Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.3Å; I152-L156 PolarHBondContact O-N 3.12Å; D153-L156 PolarHBondContact O-N 3.19Å; F154-L156 PolarHBondContact O-N 3.06Å; L156-M161 PolarHBondContact O-N 3.28Å; L156-M161 VanDerWaalsContact O-N 3.12Å; L156-V162 HydrophobicContact CB-CG2 4.01Å; L156-V162 HydrophobicContact CD1-CG2 4.4Å; L156-V162 PolarHBondContact O-N 3.31Å |
| 157 | I | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74.1 | -43.6 | 176.5 | -66.5 | 171.6 | 0 | 0 | 0 | 110.1 | Y110 A113 V114 D126 L130 D153 F154 I155 M159 Q160 | Y110-I157 WeakPolarHBondContact CE2-O 3.41Å; A113-I157 HydrophobicContact CB-CG2 4.08Å; V114-I157 HydrophobicContact CG2-CG2 3.92Å; D126-I157 HydrophobicContact CB-CD1 3.79Å; L130-I157 HydrophobicContact CD1-CD1 4.03Å; L130-I157 HydrophobicContact CD1-CG1 4.23Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 2.81Å; F154-I157 PolarHBondContact O-N 3.13Å; I155-I157 PolarHBondContact O-N 3.18Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.49Å; I157-Q160 WeakPolarHBondContact O-CA 3.3Å; I157-Q160 PolarHBondContact O-N 3.45Å |
| 158 | A | 93.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y110 F154 I155 Q160 | Y110-A158 PolarHBondContact OH-O 2.97Å; F154-A158 WeakPolarHBondContact O-CB 3.36Å; F154-A158 PolarHBondContact O-N 3.33Å; I155-A158 PolarHBondContact O-N 2.85Å; A158-Q160 PolarHBondContact O-N 3.44Å |
| 159 | M | 92.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 3 | 175 | -64.5 | -172.8 | -53.8 | 0 | 0 | 114 | I155 I157 M161 L179 | I155-M159 HydrophobicContact CG2-CE 3.55Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.08Å; I155-M159 WeakPolarHBondContact O-CB 3.14Å; I155-M159 VanDerWaalsContact O-CG 3.31Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.21Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.49Å; M159-M161 HydrophobicContact CB-CG 3.83Å; M159-M161 HydrophobicContact CE-CG 4.24Å; M159-M161 PolarHBondContact O-N 3.2Å; M159-L179 VanDerWaalsContact O-CD1 3.25Å; M159-L179 WeakPolarHBondContact O-CD1 3.21Å |
| 160 | Q | 92.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 26.1 | -176.6 | -59.6 | 175.2 | 3.4 | 0 | 0 | 112.8 | Y110 I157 A158 A177 L179 | Y110-Q160 HydrophobicContact CD2-CG 4Å; Y110-Q160 HydrophobicContact CE2-CG 3.51Å; I157-Q160 WeakPolarHBondContact O-CA 3.3Å; I157-Q160 PolarHBondContact O-N 3.45Å; A158-Q160 PolarHBondContact O-N 3.44Å; Q160-A177 PolarHBondContact NE2-O 3.14Å; Q160-L179 HydrophobicContact CB-CB 4.35Å; Q160-L179 HydrophobicContact CB-CD1 4.49Å |
| 161 | M | 91.3 | Very high | 93 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 61% | 0.611 | 29% | 0.294 | S | S | * | . | trans | -78.8 | -34 | -178.6 | -76.9 | -70.9 | -73.4 | 0 | 0 | 111.3 | L156 M159 | L156-M161 PolarHBondContact O-N 3.28Å; L156-M161 VanDerWaalsContact O-N 3.12Å; M159-M161 HydrophobicContact CB-CG 3.83Å; M159-M161 HydrophobicContact CE-CG 4.24Å; M159-M161 PolarHBondContact O-N 3.2Å | ||
| 162 | V | 92.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -104.4 | 117.2 | 173.1 | -176 | 0 | 0 | 0 | 0 | 109.3 | Y132 L156 Y170 | Y132-V162 HydrophobicContact CE2-CG1 4.08Å; L156-V162 HydrophobicContact CB-CG2 4.01Å; L156-V162 HydrophobicContact CD1-CG2 4.4Å; L156-V162 PolarHBondContact O-N 3.31Å; V162-Y170 VanDerWaalsContact O-CE2 3.24Å; V162-Y170 WeakPolarHBondContact O-CE2 3.43Å; V162-Y170 PolarHBondContact O-OH 3.23Å |
| 163 | G | 92.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | trans | -91.9 | 178.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y132 | Y132-G163 WeakPolarHBondContact CE2-O 3.05Å; Y132-G163 PolarHBondContact OH-O 3.32Å | ||
| 164 | P | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -56.5 | 150 | 168.2 | -22.2 | 32.6 | 0 | 0 | 0 | 113.2 | Y108 L130 D166 G167 S168 Y170 | Y108-P164 HydrophobicContact CD2-CB 3.4Å; Y108-P164 VanDerWaalsContact CD2-CB 3.4Å; Y108-P164 HydrophobicContact CD2-CG 3.45Å; Y108-P164 VanDerWaalsContact CD2-CG 3.45Å; Y108-P164 HydrophobicContact CE2-CB 3.64Å; Y108-P164 HydrophobicContact CE2-CG 4.22Å; Y108-P164 HydrophobicContact CG-CB 4.02Å; Y108-P164 HydrophobicContact CG-CG 3.81Å; L130-P164 HydrophobicContact CD2-CG 4.34Å; P164-D166 PolarHBondContact O-N 2.82Å; P164-G167 PolarHBondContact O-N 3.25Å; P164-G167 VanDerWaalsContact O-N 3.12Å; P164-S168 WeakPolarHBondContact CD-O 3.42Å; P164-Y170 HydrophobicContact CG-CD1 4.27Å; P164-Y170 HydrophobicContact CG-CE1 4.06Å | ||
| 165 | A | 94.3 | Very high | 93 | Very high | 45 Ų | 45 | 55 Ų | 55 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L130 Y132 G167 | L130-A165 VanDerWaalsContact O-CB 3.31Å; L130-A165 WeakPolarHBondContact O-CB 3.31Å; L130-A165 PolarHBondContact O-N 3Å; Y132-A165 HydrophobicContact CD1-CB 4.29Å; Y132-A165 HydrophobicContact CE1-CB 3.92Å; Y132-A165 HydrophobicContact CE2-CB 4.27Å; A165-G167 PolarHBondContact O-N 2.95Å |
| 166 | D | 92.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 52.9 Ų | 52.9 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.7 | 178.3 | -59 | -39.4 | 0 | 0 | 0 | 113.5 | Y108 P164 S168 | Y108-D166 WeakPolarHBondContact CE2-OD2 3.34Å; Y108-D166 PolarHBondContact OH-OD2 3.44Å; P164-D166 PolarHBondContact O-N 2.82Å; D166-S168 PolarHBondContact O-N 3.15Å |
| 167 | G | 91.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 73% | 0.732 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 76.7 | -2.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P164 A165 | P164-G167 PolarHBondContact O-N 3.25Å; P164-G167 VanDerWaalsContact O-N 3.12Å; A165-G167 PolarHBondContact O-N 2.95Å |
| 168 | S | 92.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 164.4 | 172.3 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | T106 P164 D166 | T106-S168 VanDerWaalsContact CG2-CB 3.41Å; T106-S168 WeakPolarHBondContact CG2-OG 3.36Å; T106-S168 PolarHBondContact OG1-OG 3.11Å; P164-S168 WeakPolarHBondContact CD-O 3.42Å; D166-S168 PolarHBondContact O-N 3.15Å |
| 169 | S | 92.9 | Very high | 92.2 | Very high | 35 Ų | 35 | 61.9 Ų | 61.9 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 154.3 | 174 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | R103 N104 V105 | R103-S169 VanDerWaalsContact CD-OG 3.31Å; R103-S169 WeakPolarHBondContact CD-OG 3.12Å; N104-S169 PolarHBondContact O-N 2.92Å; V105-S169 WeakPolarHBondContact CA-O 2.81Å |
| 170 | Y | 94.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 143.6 | 169.6 | -69.2 | -68.8 | 0 | 0 | 0 | 112.3 | Y110 A113 L130 V162 P164 V172 | Y110-Y170 HydrophobicContact CD2-CD2 4.41Å; Y110-Y170 HydrophobicContact CD2-CG 4.46Å; A113-Y170 HydrophobicContact CB-CE1 4.14Å; L130-Y170 VanDerWaalsContact CD1-OH 3.32Å; L130-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L130-Y170 HydrophobicContact CD2-CE1 3.41Å; L130-Y170 VanDerWaalsContact CD2-CE1 3.41Å; L130-Y170 WeakPolarHBondContact CD2-OH 3.43Å; V162-Y170 VanDerWaalsContact O-CE2 3.24Å; V162-Y170 WeakPolarHBondContact O-CE2 3.43Å; V162-Y170 PolarHBondContact O-OH 3.23Å; P164-Y170 HydrophobicContact CG-CD1 4.27Å; P164-Y170 HydrophobicContact CG-CE1 4.06Å; Y170-V172 PolarHBondContact O-N 3.22Å |
| 171 | I | 95.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 116.5 | 160.5 | -60.9 | 164 | 0 | 0 | 0 | 107.4 | Q57 V105 T106 Y108 Y110 | Q57-I171 HydrophobicContact CB-CG2 4.24Å; Q57-I171 HydrophobicContact CG-CG2 4Å; V105-I171 HydrophobicContact CB-CG1 4Å; V105-I171 HydrophobicContact CG2-CG1 4.12Å; T106-I171 WeakPolarHBondContact O-CD1 3.5Å; T106-I171 VanDerWaalsContact O-CG1 3.31Å; T106-I171 WeakPolarHBondContact O-CG1 3.39Å; Y108-I171 PolarHBondContact O-N 3.22Å; Y110-I171 WeakPolarHBondContact CB-O 3.36Å; Y110-I171 PolarHBondContact N-O 3Å |
| 172 | V | 94.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | trans | -128.5 | 135.1 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 106.4 | Q57 Y110 Y170 F174 | Q57-V172 WeakPolarHBondContact CB-O 3.47Å; Y110-V172 HydrophobicContact CG-CG2 4.24Å; Y170-V172 PolarHBondContact O-N 3.22Å; V172-F174 PolarHBondContact O-N 3.08Å | ||
| 173 | D | 92.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | trans | -47.4 | 137.6 | 177.6 | -56.4 | -13.5 | 0 | 0 | 0 | 110.6 | K111 Y175 G176 | K111-D173 IonicContact NZ-OD1 3.7Å; K111-D173 IonicContact NZ-OD2 2.82Å; K111-D173 PolarHBondContact NZ-OD2 3.44Å; D173-Y175 VanDerWaalsContact C-N 3.26Å; D173-Y175 PolarHBondContact O-N 3.21Å; D173-G176 WeakPolarHBondContact O-CA 3.32Å; D173-G176 PolarHBondContact O-N 3.28Å | ||
| 174 | F | 91.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 78.7 Ų | 78.7 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -37.3 | -172.9 | 179 | -101.8 | 0 | 0 | 0 | 113.2 | I52 V172 G176 | I52-F174 HydrophobicContact CD1-CD2 3.5Å; I52-F174 VanDerWaalsContact CD1-CD2 3.5Å; I52-F174 HydrophobicContact CD1-CE1 4.45Å; I52-F174 HydrophobicContact CD1-CE2 3.36Å; I52-F174 HydrophobicContact CD1-CG 4.13Å; I52-F174 HydrophobicContact CD1-CZ 3.87Å; I52-F174 HydrophobicContact CG1-CD1 4.16Å; I52-F174 HydrophobicContact CG1-CD2 3.82Å; I52-F174 HydrophobicContact CG1-CE1 4.31Å; I52-F174 HydrophobicContact CG1-CE2 4Å; I52-F174 HydrophobicContact CG1-CG 3.91Å; I52-F174 HydrophobicContact CG1-CZ 4.23Å; I52-F174 HydrophobicContact CG2-CB 4.16Å; I52-F174 HydrophobicContact CG2-CD2 4.36Å; I52-F174 HydrophobicContact CG2-CG 4.36Å; V172-F174 PolarHBondContact O-N 3.08Å; F174-G176 VanDerWaalsContact C-N 3.33Å |
| 175 | Y | 90.1 | Very high | 91 | Very high | 215 Ų | 215 | 82 Ų | 82 | 84% | 0.843 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 10.6 | 174.1 | -59.9 | -72.5 | 0 | 0 | 0 | 113.6 | D173 | D173-Y175 VanDerWaalsContact C-N 3.26Å; D173-Y175 PolarHBondContact O-N 3.21Å |
| 176 | G | 90.4 | Very high | 91 | Very high | 33 Ų | 33 | 87.9 Ų | 87.9 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -81.9 | 169 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D173 F174 R178 | D173-G176 WeakPolarHBondContact O-CA 3.32Å; D173-G176 PolarHBondContact O-N 3.28Å; F174-G176 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.43Å |
| 177 | A | 87.4 | Confident | 90.7 | Very high | 90 Ų | 90 | 91.1 Ų | 91.1 | 74% | 0.744 | 49% | 0.491 | S | S | * | . | trans | -74.2 | 116.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q160 | Q160-A177 PolarHBondContact NE2-O 3.14Š| ||
| 178 | R | 89.3 | Confident | 90.6 | Very high | 82 Ų | 82 | 90.7 Ų | 90.7 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | trans | -118.8 | 130.8 | 179.8 | -160.3 | 170.2 | -144.6 | 179.9 | 3.1 | 110.7 | E58 R103 G176 | E58-R178 IonicContact OE1-CZ 3.82Å; E58-R178 IonicContact OE1-NH1 3.94Å; E58-R178 PolarHBondContact OE1-NH1 3.48Å; E58-R178 IonicContact OE1-NH2 3.14Å; E58-R178 PolarHBondContact OE1-NH2 3.37Å; E58-R178 IonicContact OE2-NH1 2.7Å; R103-R178 VanDerWaalsContact CZ-NE 3.32Å; G176-R178 PolarHBondContact O-N 3.43Å | ||
| 179 | L | 90.1 | Very high | 90.4 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | trans | -97.1 | 127.9 | 175.5 | -63.4 | 170.2 | 0 | 0 | 0 | 108.9 | M159 Q160 | M159-L179 VanDerWaalsContact O-CD1 3.25Å; M159-L179 WeakPolarHBondContact O-CD1 3.21Å; Q160-L179 HydrophobicContact CB-CB 4.35Å; Q160-L179 HydrophobicContact CB-CD1 4.49Å | ||
| 180 | T | 86 | Confident | 90.1 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | trans | -109.4 | 125.8 | 170.9 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | L182 | T180-L182 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact O-N 3.07Å | ||
| 181 | R | 84.4 | Confident | 89.7 | Confident | 222 Ų | 222 | 112.9 Ų | 112.9 | 84% | 0.838 | 56% | 0.56 | S | S | * | * | trans | -73.4 | 103.5 | 172.5 | -174.7 | -177.4 | 179.9 | -167.5 | 0.4 | 108.7 | ||||
| 182 | L | 88.3 | Confident | 89.3 | Confident | 156 Ų | 156 | 117 Ų | 117 | 82% | 0.817 | 59% | 0.588 | S | S | * | * | trans | -79.8 | 121.2 | 171.3 | -59.1 | -179.8 | 0 | 0 | 0 | 108.8 | T180 | T180-L182 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact O-N 3.07Å | ||
| 183 | S | 88.9 | Confident | 88.7 | Confident | 79 Ų | 79 | 125.5 Ų | 125.5 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -107 | 142.1 | 172 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | T185 | S183-T185 PolarHBondContact O-N 3.47Š| ||
| 184 | I | 91.4 | Very high | 88.3 | Confident | 116 Ų | 116 | 130.2 Ų | 130.2 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | trans | -69.8 | 122 | 171.6 | -66.2 | 140.2 | 0 | 0 | 0 | 107.7 | T188 | I184-T188 WeakPolarHBondContact CG2-OG1 3.43Š| ||
| 185 | T | 92.4 | Very high | 87.6 | Confident | 75 Ų | 75 | 131.1 Ų | 131.1 | 46% | 0.46 | 67% | 0.673 | S | S | . | * | trans | -124 | 173.5 | 174.5 | 65.4 | 0 | 0 | 0 | 0 | 109.8 | S183 E187 T188 | S183-T185 PolarHBondContact O-N 3.47Å; T185-E187 PolarHBondContact O-N 3.32Å; T185-E187 VanDerWaalsContact O-N 3.15Å; T185-T188 PolarHBondContact N-OG1 3.49Å; T185-T188 PolarHBondContact O-N 2.93Å; T185-T188 PolarHBondContact O-OG1 3.37Å | ||
| 186 | N | 93.3 | Very high | 86.7 | Confident | 168 Ų | 168 | 132 Ų | 132 | 90% | 0.898 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -22.4 | 178.1 | -69.5 | -17.3 | 0 | 0 | 0 | 113.3 | T188 | N186-T188 VanDerWaalsContact C-N 3.35Š|
| 187 | E | 86.8 | Confident | 86.6 | Confident | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -3.5 | 177.4 | -53.8 | -56.1 | 148.6 | 0 | 0 | 113 | T185 F189 | T185-E187 PolarHBondContact O-N 3.32Å; T185-E187 VanDerWaalsContact O-N 3.15Å; E187-F189 PolarHBondContact O-N 3.4Å |
| 188 | T | 89.2 | Confident | 86.5 | Confident | 62 Ų | 62 | 139.5 Ų | 139.5 | 38% | 0.38 | 71% | 0.707 | S | S | . | * | trans | -86.5 | 113.7 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | I184 T185 N186 | I184-T188 WeakPolarHBondContact CG2-OG1 3.43Å; T185-T188 PolarHBondContact N-OG1 3.49Å; T185-T188 PolarHBondContact O-N 2.93Å; T185-T188 PolarHBondContact O-OG1 3.37Å; N186-T188 VanDerWaalsContact C-N 3.35Å | ||
| 189 | F | 88.8 | Confident | 86.4 | Confident | 173 Ų | 173 | 142.7 Ų | 142.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 121.2 | 172.2 | -175.2 | -98.5 | 0 | 0 | 0 | 110.9 | E187 K191 | E187-F189 PolarHBondContact O-N 3.4Å; F189-K191 HydrophobicContact CD1-CG 4.22Å; F189-K191 HydrophobicContact CE1-CG 4.01Å |
| 190 | R | 86.4 | Confident | 86.1 | Confident | 173 Ų | 173 | 145.3 Ų | 145.3 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 116.2 | 170.6 | -67.1 | -177 | -177 | -125.8 | 10.2 | 108.9 | P192 | R190-P192 VanDerWaalsContact O-CD 3.25Å; R190-P192 WeakPolarHBondContact O-CD 3.4Å |
| 191 | K | 86.4 | Confident | 86.2 | Confident | 181 Ų | 181 | 148.9 Ų | 148.9 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 117.6 | 167.7 | -83.1 | -159 | 174 | -171.1 | 0 | 109 | F189 | F189-K191 HydrophobicContact CD1-CG 4.22Å; F189-K191 HydrophobicContact CE1-CG 4.01Å |
| 192 | P | 86.4 | Confident | 86.3 | Confident | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.5 | 171.6 | 27.3 | -31.9 | 0 | 0 | 0 | 109 | R190 L194 | R190-P192 VanDerWaalsContact O-CD 3.25Å; R190-P192 WeakPolarHBondContact O-CD 3.4Å; P192-L194 PolarHBondContact O-N 3.26Å |
| 193 | H | 82.9 | Confident | 86.1 | Confident | 190 Ų | 190 | 143.1 Ų | 143.1 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.9 | 167.3 | -85.2 | -91.3 | 0 | 0 | 0 | 108.4 | A195 | H193-A195 PolarHBondContact O-N 2.72Å; H193-A195 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 83.6 | Confident | 85.9 | Confident | 167 Ų | 167 | 148.1 Ų | 148.1 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -63.8 | 111.6 | 172.9 | -142.1 | 96.7 | 0 | 0 | 0 | 107.1 | P192 L196 | P192-L194 PolarHBondContact O-N 3.26Å; L194-L196 PolarHBondContact O-N 3.02Å | ||
| 195 | A | 77.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 150.8 Ų | 150.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 116.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | H193 | H193-A195 PolarHBondContact O-N 2.72Å; H193-A195 VanDerWaalsContact O-N 3.08Å | ||
| 196 | L | 71.8 | Confident | 84.8 | Confident | 234 Ų | 234 | 157.6 Ų | 157.6 | 100% | 1.225 | 80% | 0.801 | S | S | * | * | trans | -79.4 | 0 | 178.3 | -128.9 | 165.8 | 0 | 0 | 0 | 110 | L194 | L194-L196 PolarHBondContact O-N 3.02Š|
Retrieved 196 of 196 residues in 535.9 ms
(Link to these results)