| 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 | 38.9 | Very low | 43.4 | Very low | 235 Ų | 235 | 172.7 Ų | 172.7 | 100% | 1.158 | 83% | 0.825 | S | S | * | * | 0 | 135.8 | 0 | -71.5 | -67.5 | -174.9 | 0 | 0 | 108.2 | |||||
| 2 | P | 44.8 | Very low | 42.6 | Very low | 119 Ų | 119 | 167.7 Ų | 167.7 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | -110.5 | 144.5 | -30.8 | 28.7 | -10.7 | 0 | 0 | 0 | 110.2 | ||||
| 3 | D | 44.2 | Very low | 42.8 | Very low | 135 Ų | 135 | 172.6 Ų | 172.6 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | 53.6 | 108.9 | 82.2 | -151.7 | 6.4 | 0 | 0 | 0 | 115.4 | |||||
| 4 | N | 38.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 171.6 Ų | 171.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -155.6 | 76.1 | 150.9 | -140.4 | -0.2 | 0 | 0 | 0 | 111 | Q6 | N4-Q6 PolarHBondContact O-N 3.42Š| ||
| 5 | R | 46 | Very low | 42 | Very low | 228 Ų | 228 | 175.5 Ų | 175.5 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -74.2 | 109.6 | 162.6 | -72.8 | -180 | -176.4 | 177.1 | 2.6 | 109.4 | ||||
| 6 | Q | 46.2 | Very low | 41.9 | Very low | 172 Ų | 172 | 170.6 Ų | 170.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -78.9 | 139 | 164 | -79.3 | 179.2 | -13.8 | 0 | 0 | 110.8 | N4 | N4-Q6 PolarHBondContact O-N 3.42Š| ||
| 7 | P | 43.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 165.1 Ų | 165.1 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -77.7 | 131.1 | -176.7 | 30.5 | -32.9 | 0 | 0 | 0 | 111.5 | N9 | P7-N9 PolarHBondContact O-N 2.68Å; P7-N9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | R | 44.2 | Very low | 41.6 | Very low | 219 Ų | 219 | 164 Ų | 164 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -66.2 | 104.2 | 166.4 | -84.6 | -179 | 170.9 | 177.9 | -3.6 | 109.1 | R10 | R8-R10 PolarHBondContact O-N 3.12Š| ||
| 9 | N | 40.6 | Very low | 41.4 | Very low | 147 Ų | 147 | 164.9 Ų | 164.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -69.2 | 93.2 | 171.2 | -157.4 | 4.6 | 0 | 0 | 0 | 109.5 | P7 Q11 | P7-N9 PolarHBondContact O-N 2.68Å; P7-N9 VanDerWaalsContact O-N 3.08Å; N9-Q11 PolarHBondContact O-N 2.91Å | ||
| 10 | R | 47.5 | Very low | 41.2 | Very low | 213 Ų | 213 | 163 Ų | 163 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 92.1 | 172.4 | -78.6 | -176.4 | 174.3 | 173.8 | -1.2 | 108.8 | R8 | R8-R10 PolarHBondContact O-N 3.12Š| ||
| 11 | Q | 43.8 | Very low | 41 | Very low | 161 Ų | 161 | 166.9 Ų | 166.9 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 130.6 | 163.8 | -77.4 | -179.6 | -18 | 0 | 0 | 109.6 | N9 R13 | N9-Q11 PolarHBondContact O-N 2.91Å; Q11-R13 PolarHBondContact O-N 2.75Å | ||
| 12 | P | 33.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 161.6 Ų | 161.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 123.7 | 171.5 | 24.5 | -27 | 0 | 0 | 0 | 109.6 | I14 | P12-I14 PolarHBondContact O-N 3.47Š| ||
| 13 | R | 45.1 | Very low | 40.7 | Very low | 232 Ų | 232 | 160 Ų | 160 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 98.8 | 170.4 | -79.1 | -178.8 | 173.7 | 172.4 | -3.6 | 109 | Q11 R15 | Q11-R13 PolarHBondContact O-N 2.75Å; R13-R15 PolarHBondContact O-N 3.17Å | ||
| 14 | I | 38.4 | Very low | 40.6 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 107.3 | 165.6 | -59.2 | 173.2 | 0 | 0 | 0 | 106.7 | P12 S16 | P12-I14 PolarHBondContact O-N 3.47Å; I14-S16 PolarHBondContact O-N 2.73Å | ||
| 15 | R | 35 | Very low | 40.8 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 105.5 | 171.6 | -73.2 | -174.4 | 177 | -170.5 | -0.8 | 108.4 | R13 | R13-R15 PolarHBondContact O-N 3.17Š| ||
| 16 | S | 40.9 | Very low | 40.6 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 122.7 | 166.4 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | I14 N18 | I14-S16 PolarHBondContact O-N 2.73Å; S16-N18 PolarHBondContact O-N 3.34Å; S16-N18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | G | 39.9 | Very low | 40.5 | Very low | 76 Ų | 76 | 154.6 Ų | 154.6 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -76.7 | 19.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 18 | N | 37.2 | Very low | 40.4 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -122.3 | 36.6 | -170.8 | -77.9 | 1 | 0 | 0 | 0 | 114.1 | S16 | S16-N18 PolarHBondContact O-N 3.34Å; S16-N18 VanDerWaalsContact O-N 3.08Å | ||
| 19 | E | 37.8 | Very low | 40.4 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 119.4 | 163 | -78.7 | -175.7 | 153.4 | 0 | 0 | 110 | R21 | E19-R21 PolarHBondContact O-N 3.31Š|
| 20 | P | 38.2 | Very low | 40.9 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 124.8 | 174.7 | 6.9 | -0.3 | 0 | 0 | 0 | 110 | S22 | P20-S22 PolarHBondContact O-N 2.81Š|
| 21 | R | 36 | Very low | 41.2 | Very low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.2 | 166.9 | -85.6 | -175.8 | 174.3 | -158.6 | -1.4 | 109.1 | E19 A23 | E19-R21 PolarHBondContact O-N 3.31Å; R21-A23 PolarHBondContact O-N 2.63Å |
| 22 | S | 41.9 | Very low | 41.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -61.8 | 104.5 | 165.6 | 40.9 | 0 | 0 | 0 | 0 | 109.4 | P20 | P20-S22 PolarHBondContact O-N 2.81Š| ||
| 23 | A | 37.5 | Very low | 43.7 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 144.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R21 A25 | R21-A23 PolarHBondContact O-N 2.63Å; A23-A25 PolarHBondContact O-N 3.41Å | ||
| 24 | P | 40.9 | Very low | 45.4 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -63.3 | 137.3 | 175.9 | 22.9 | -26.8 | 0 | 0 | 0 | 110.2 | M26 | P24-M26 PolarHBondContact O-N 2.99Å; P24-M26 VanDerWaalsContact O-N 3.17Å | ||
| 25 | A | 42.5 | Very low | 47.3 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -59.9 | 115.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A23 E27 | A23-A25 PolarHBondContact O-N 3.41Å; A25-E27 PolarHBondContact O-N 2.94Å | ||
| 26 | M | 41.4 | Very low | 49.5 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -75.7 | 117.1 | 165.8 | -85.6 | -173.7 | -177 | 0 | 0 | 108.4 | P24 | P24-M26 PolarHBondContact O-N 2.99Å; P24-M26 VanDerWaalsContact O-N 3.17Å | ||
| 27 | E | 45.5 | Very low | 51.6 | Low | 166 Ų | 166 | 121.9 Ų | 121.9 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -61 | 141.7 | 163 | -72.8 | -66.4 | 134.6 | 0 | 0 | 110 | A25 D29 | A25-E27 PolarHBondContact O-N 2.94Å; E27-D29 PolarHBondContact O-N 3.43Å; E27-D29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | P | 41.1 | Very low | 53.7 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -80.3 | 99.3 | -177 | 31.6 | -31.2 | 0 | 0 | 0 | 110.1 | G30 | P28-G30 PolarHBondContact O-N 3.23Š| ||
| 29 | D | 43.7 | Very low | 56 | Low | 136 Ų | 136 | 116.6 Ų | 116.6 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -54.8 | 135.5 | 158.3 | -87.8 | -27 | 0 | 0 | 0 | 108.8 | E27 R31 | E27-D29 PolarHBondContact O-N 3.43Å; E27-D29 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact O-N 2.88Å | ||
| 30 | G | 50.8 | Low | 58.4 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 96% | 0.959 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -61 | 21.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | P28 | P28-G30 PolarHBondContact O-N 3.23Š|
| 31 | R | 53 | Low | 60.8 | Low | 188 Ų | 188 | 104.5 Ų | 104.5 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -97.8 | 100.9 | 168.8 | -128.8 | -178.9 | -68.4 | -92.1 | 1.3 | 106.9 | D29 A35 | D29-R31 PolarHBondContact O-N 2.88Å; R31-A35 HydrophobicContact CB-CB 3.76Å; R31-A35 HydrophobicContact CG-CB 3.86Å |
| 32 | G | 59.4 | Low | 63.2 | Low | 49 Ų | 49 | 96.1 Ų | 96.1 | 51% | 0.505 | 59% | 0.585 | S | S | . | * | trans | -38.1 | 149.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | W34 A35 | G32-W34 PolarHBondContact O-N 3.5Å; G32-A35 WeakPolarHBondContact O-CB 2.8Å; G32-A35 PolarHBondContact O-N 3.32Å | ||
| 33 | A | 71.6 | Confident | 65.5 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 84% | 0.835 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.2 | -19.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 34 | W | 81.3 | Confident | 67.9 | Low | 125 Ų | 125 | 95.8 Ų | 95.8 | 47% | 0.473 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129 | 16.5 | 179.8 | -61.8 | 100.3 | 0 | 0 | 0 | 114 | G32 H36 S37 R38 L115 | G32-W34 PolarHBondContact O-N 3.5Å; W34-H36 VanDerWaalsContact C-N 3.3Å; W34-H36 PolarHBondContact O-N 3.31Å; W34-S37 PolarHBondContact O-N 2.68Å; W34-S37 VanDerWaalsContact O-N 3.08Å; W34-R38 PolarHBondContact O-N 3.2Å; W34-L115 HydrophobicContact CB-CD2 3.78Å; W34-L115 HydrophobicContact CD2-CD2 3.91Å; W34-L115 HydrophobicContact CE3-CD2 4.01Å; W34-L115 HydrophobicContact CG-CD2 3.82Å |
| 35 | A | 77.5 | Confident | 70.3 | Confident | 16 Ų | 16 | 91.5 Ų | 91.5 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -56.6 | -42.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R31 G32 R38 A39 | R31-A35 HydrophobicContact CB-CB 3.76Å; R31-A35 HydrophobicContact CG-CB 3.86Å; G32-A35 WeakPolarHBondContact O-CB 2.8Å; G32-A35 PolarHBondContact O-N 3.32Å; A35-R38 PolarHBondContact O-N 3.41Å; A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.34Å |
| 36 | H | 82.1 | Confident | 72.5 | Confident | 132 Ų | 132 | 92.2 Ų | 92.2 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 176 | -64.4 | 100.3 | 0 | 0 | 0 | 112.3 | W34 A39 A40 | W34-H36 VanDerWaalsContact C-N 3.3Å; W34-H36 PolarHBondContact O-N 3.31Å; H36-A39 PolarHBondContact O-N 3.06Å; H36-A40 WeakPolarHBondContact O-CB 3.4Å; H36-A40 PolarHBondContact O-N 3.13Å |
| 37 | S | 83.8 | Confident | 74.8 | Confident | 49 Ų | 49 | 89.8 Ų | 89.8 | 34% | 0.343 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 178 | -55 | 0 | 0 | 0 | 0 | 112.2 | W34 A40 L41 | W34-S37 PolarHBondContact O-N 2.68Å; W34-S37 VanDerWaalsContact O-N 3.08Å; S37-A40 PolarHBondContact O-N 3.47Å; S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 PolarHBondContact O-N 3.32Å |
| 38 | R | 84.2 | Confident | 76.9 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 26% | 0.26 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 172.1 | -75.9 | -175.2 | -67.8 | -117.2 | 7.5 | 111.9 | W34 A35 A40 L41 D42 L115 E119 | W34-R38 PolarHBondContact O-N 3.2Å; A35-R38 PolarHBondContact O-N 3.41Å; R38-A40 VanDerWaalsContact C-N 3.3Å; R38-A40 PolarHBondContact O-N 3.36Å; R38-L41 PolarHBondContact O-N 2.96Å; R38-D42 PolarHBondContact O-N 3.49Å; R38-L115 HydrophobicContact CG-CB 4.33Å; R38-L115 HydrophobicContact CG-CD1 4.13Å; R38-E119 IonicContact CZ-OE1 3.79Å; R38-E119 IonicContact NH1-OE1 2.81Å; R38-E119 PolarHBondContact NH1-OE1 3.19Å; R38-E119 IonicContact NH2-OE1 3.25Å; R38-E119 PolarHBondContact NH2-OE1 2.87Å |
| 39 | A | 85.2 | Confident | 79.2 | Confident | 41 Ų | 41 | 82.5 Ų | 82.5 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A35 H36 R43 | A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.34Å; H36-A39 PolarHBondContact O-N 3.06Å; A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.15Å; A39-R43 PolarHBondContact O-NH1 2.88Å |
| 40 | A | 88 | Confident | 81.4 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H36 S37 R38 R43 L44 | H36-A40 WeakPolarHBondContact O-CB 3.4Å; H36-A40 PolarHBondContact O-N 3.13Å; S37-A40 PolarHBondContact O-N 3.47Å; R38-A40 VanDerWaalsContact C-N 3.3Å; R38-A40 PolarHBondContact O-N 3.36Å; A40-R43 PolarHBondContact O-N 3.33Å; A40-L44 PolarHBondContact O-N 3.47Å |
| 41 | L | 89.2 | Confident | 83.2 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 177 | -170.6 | 64 | 0 | 0 | 0 | 111.4 | S37 R38 R43 L44 E45 C108 L111 R112 L115 | S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 PolarHBondContact O-N 3.32Å; R38-L41 PolarHBondContact O-N 2.96Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.23Å; L41-L44 WeakPolarHBondContact O-CB 3.34Å; L41-L44 PolarHBondContact O-N 3.16Å; L41-E45 WeakPolarHBondContact O-CG 3.37Å; L41-E45 PolarHBondContact O-N 2.93Å; L41-C108 HydrophobicContact CD1-CB 4.02Å; L41-L111 HydrophobicContact CD1-CB 4.34Å; L41-L111 HydrophobicContact CD2-CB 4.45Å; L41-R112 HydrophobicContact CD2-CB 3.79Å; L41-R112 HydrophobicContact CD2-CG 4.15Å; L41-L115 HydrophobicContact CD2-CD1 4.05Å |
| 42 | D | 85.9 | Confident | 84.8 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 176 | 176.4 | 64 | 0 | 0 | 0 | 112.4 | R38 E45 K46 | R38-D42 PolarHBondContact O-N 3.49Å; D42-E45 PolarHBondContact O-N 3.27Å; D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-N 3.13Å; D42-K46 IonicContact OD1-NZ 2.83Å; D42-K46 WeakPolarHBondContact OD2-CE 3.37Å; D42-K46 IonicContact OD2-NZ 2.77Å; D42-K46 PolarHBondContact OD2-NZ 2.79Å |
| 43 | R | 90.8 | Very high | 86.1 | Confident | 147 Ų | 147 | 70.5 Ų | 70.5 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 173.3 | -72.3 | -172.6 | -58.5 | -94.4 | 6.4 | 111.9 | A39 A40 L41 K46 L47 | A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.15Å; A39-R43 PolarHBondContact O-NH1 2.88Å; A40-R43 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.23Å; R43-K46 PolarHBondContact O-N 3.4Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.42Å |
| 44 | L | 88.9 | Confident | 86.8 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 178.9 | -178.4 | 56.1 | 0 | 0 | 0 | 111.6 | A40 L41 K46 L47 L48 M104 C108 | A40-L44 PolarHBondContact O-N 3.47Å; L41-L44 WeakPolarHBondContact O-CB 3.34Å; L41-L44 PolarHBondContact O-N 3.16Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.9Å; L44-L47 WeakPolarHBondContact O-CB 3.27Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-L47 VanDerWaalsContact O-N 3.13Å; L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD1-CG 4.49Å; L44-L48 HydrophobicContact CG-CD1 4.19Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 3.42Å; L44-L48 VanDerWaalsContact O-N 3.13Å; L44-M104 HydrophobicContact CD1-CE 4.25Å; L44-C108 WeakPolarHBondContact CD2-SG 3.44Å |
| 45 | E | 89.7 | Confident | 87.2 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.7 | -71.6 | -177.9 | 66.8 | 0 | 0 | 112.8 | L41 D42 L47 L48 R49 R112 | L41-E45 WeakPolarHBondContact O-CG 3.37Å; L41-E45 PolarHBondContact O-N 2.93Å; D42-E45 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.07Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-R49 WeakPolarHBondContact O-CG 3.36Å; E45-R112 VanDerWaalsContact CD-CZ 3.49Å; E45-R112 VanDerWaalsContact CD-NE 3.29Å; E45-R112 IonicContact OE1-CZ 2.75Å; E45-R112 IonicContact OE1-NE 2.73Å; E45-R112 PolarHBondContact OE1-NE 3.38Å; E45-R112 VanDerWaalsContact OE1-NE 3.14Å; E45-R112 IonicContact OE1-NH2 3.34Å; E45-R112 PolarHBondContact OE1-NH2 3.41Å; E45-R112 IonicContact OE2-CZ 3.6Å; E45-R112 IonicContact OE2-NE 3.18Å; E45-R112 PolarHBondContact OE2-NE 2.89Å; E45-R112 IonicContact OE2-NH2 3.81Å; E45-R112 PolarHBondContact OE2-NH2 3.09Å |
| 46 | K | 88.9 | Confident | 87.7 | Confident | 111 Ų | 111 | 71.4 Ų | 71.4 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 175.5 | -75.1 | 165.6 | 177.9 | 163.2 | 0 | 112.2 | D42 R43 L44 L48 | D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-N 3.13Å; D42-K46 IonicContact OD1-NZ 2.83Å; D42-K46 WeakPolarHBondContact OD2-CE 3.37Å; D42-K46 IonicContact OD2-NZ 2.77Å; D42-K46 PolarHBondContact OD2-NZ 2.79Å; R43-K46 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-L48 VanDerWaalsContact C-N 3.29Å |
| 47 | L | 89.6 | Confident | 88 | Confident | 135 Ų | 135 | 65.2 Ų | 65.2 | 71% | 0.707 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.1 | -23.9 | 176.2 | -63.3 | 172.6 | 0 | 0 | 0 | 112.7 | R43 L44 E45 R49 | R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.42Å; L44-L47 WeakPolarHBondContact O-CB 3.27Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-L47 VanDerWaalsContact O-N 3.13Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.07Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.41Å |
| 48 | L | 89.8 | Confident | 88 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 17.2 | 178.9 | -65.2 | 173.7 | 0 | 0 | 0 | 113.2 | L44 E45 K46 L57 L101 I105 C108 | L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD1-CG 4.49Å; L44-L48 HydrophobicContact CG-CD1 4.19Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 3.42Å; L44-L48 VanDerWaalsContact O-N 3.13Å; E45-L48 PolarHBondContact O-N 3.36Å; K46-L48 VanDerWaalsContact C-N 3.29Å; L48-L57 WeakPolarHBondContact O-CD1 3.18Å; L48-L57 VanDerWaalsContact O-CG 3.24Å; L48-L57 WeakPolarHBondContact O-CG 3.28Å; L48-L57 PolarHBondContact O-N 3.4Å; L48-L101 HydrophobicContact CD2-CD2 3.9Å; L48-I105 HydrophobicContact CB-CG1 4.27Å; L48-I105 HydrophobicContact CD1-CG1 3.89Å; L48-I105 HydrophobicContact CD2-CG1 4.12Å; L48-I105 HydrophobicContact CG-CG1 4.32Å; L48-C108 HydrophobicContact CD1-CB 4.45Å |
| 49 | R | 91 | Very high | 87.9 | Confident | 122 Ų | 122 | 74.5 Ų | 74.5 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 141.4 | 176.7 | -70.5 | 178.9 | 177.9 | -161.7 | -0.9 | 111.5 | E45 L47 S51 T54 N55 | E45-R49 WeakPolarHBondContact O-CG 3.36Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-S51 PolarHBondContact O-N 2.94Å; R49-T54 VanDerWaalsContact CD-O 3.27Å; R49-T54 WeakPolarHBondContact CD-O 3.46Å; R49-T54 WeakPolarHBondContact CG-O 3.18Å; R49-N55 CarbonylContact C-O 3.58Å; R49-N55 WeakPolarHBondContact CA-O 3.47Å |
| 50 | C | 89.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | trans | -64.8 | 130.6 | 172.6 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | R52 C53 T54 N55 L57 C71 | C50-R52 PolarHBondContact O-N 3.45Å; C50-R52 VanDerWaalsContact O-N 3.1Å; C50-R52 PolarHBondContact SG-N 3.09Å; C50-R52 VanDerWaalsContact SG-N 3.43Å; C50-C53 WeakPolarHBondContact CB-SG 3.28Å; C50-C53 PolarHBondContact SG-N 3.42Å; C50-T54 VanDerWaalsContact O-CA 3.24Å; C50-T54 WeakPolarHBondContact O-CA 3.45Å; C50-T54 PolarHBondContact O-N 2.7Å; C50-N55 PolarHBondContact N-O 3Å; C50-L57 HydrophobicContact CB-CD2 3.84Å; C50-L57 HydrophobicContact CB-CG 4.48Å; C50-C71 PolarHBondContact SG-N 3.13Å | ||
| 51 | S | 88.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 71 Ų | 71 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8.7 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 113.9 | R49 I69 | R49-S51 PolarHBondContact O-N 2.94Å; S51-I69 PolarHBondContact N-O 2.84Å; S51-I69 PolarHBondContact OG-N 3.49Å; S51-I69 PolarHBondContact OG-O 3.05Å |
| 52 | R | 85.1 | Confident | 87.3 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -55 | 176.9 | -171.3 | 176.9 | -178.8 | 176.8 | 0.2 | 113.5 | C50 F70 C74 C78 | C50-R52 PolarHBondContact O-N 3.45Å; C50-R52 VanDerWaalsContact O-N 3.1Å; C50-R52 PolarHBondContact SG-N 3.09Å; C50-R52 VanDerWaalsContact SG-N 3.43Å; R52-F70 HydrophobicContact CB-CD1 3.78Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; R52-C74 HydrophobicContact CB-CB 4.32Å; R52-C74 VanDerWaalsContact CD-O 3.24Å; R52-C74 WeakPolarHBondContact CD-O 3.36Å; R52-C74 PolarHBondContact NH1-O 2.81Å; R52-C78 PolarHBondContact NH1-SG 2.97Å; R52-C78 VanDerWaalsContact NH1-SG 3.35Å |
| 53 | C | 88.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -5 | -175.9 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | C50 N55 C74 | C50-C53 WeakPolarHBondContact CB-SG 3.28Å; C50-C53 PolarHBondContact SG-N 3.42Å; C53-N55 PolarHBondContact O-N 3.16Å; C53-N55 PolarHBondContact O-ND2 2.71Å; C53-C74 VanDerWaalsContact SG-SG 3.67Å |
| 54 | T | 86.5 | Confident | 85.7 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 57% | 0.571 | 33% | 0.334 | S | S | * | . | trans | 61.4 | -4.6 | 179.9 | 72.8 | 0 | 0 | 0 | 0 | 116.1 | R49 C50 | R49-T54 VanDerWaalsContact CD-O 3.27Å; R49-T54 WeakPolarHBondContact CD-O 3.46Å; R49-T54 WeakPolarHBondContact CG-O 3.18Å; C50-T54 VanDerWaalsContact O-CA 3.24Å; C50-T54 WeakPolarHBondContact O-CA 3.45Å; C50-T54 PolarHBondContact O-N 2.7Å | ||
| 55 | N | 88.1 | Confident | 85 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -76 | 162.2 | 172.3 | -65.8 | -47.7 | 0 | 0 | 0 | 111.1 | R49 C50 C53 L57 | R49-N55 CarbonylContact C-O 3.58Å; R49-N55 WeakPolarHBondContact CA-O 3.47Å; C50-N55 PolarHBondContact N-O 3Å; C53-N55 PolarHBondContact O-N 3.16Å; C53-N55 PolarHBondContact O-ND2 2.71Å; N55-L57 PolarHBondContact O-N 2.86Å |
| 56 | I | 89.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 65 Ų | 65 | 30% | 0.303 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 133.9 | 170.2 | -61.8 | 175.2 | 0 | 0 | 0 | 108.8 | I105 | I56-I105 HydrophobicContact CG2-CG1 4.33Å; I56-I105 HydrophobicContact CG2-CG2 3.78Å |
| 57 | L | 87.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 139.5 | -177.2 | -72.7 | 159.3 | 0 | 0 | 0 | 112 | L48 C50 N55 P60 I69 F70 I105 | L48-L57 WeakPolarHBondContact O-CD1 3.18Å; L48-L57 VanDerWaalsContact O-CG 3.24Å; L48-L57 WeakPolarHBondContact O-CG 3.28Å; L48-L57 PolarHBondContact O-N 3.4Å; C50-L57 HydrophobicContact CB-CD2 3.84Å; C50-L57 HydrophobicContact CB-CG 4.48Å; N55-L57 PolarHBondContact O-N 2.86Å; L57-P60 HydrophobicContact CB-CB 4.04Å; L57-P60 HydrophobicContact CD1-CB 4.1Å; L57-P60 HydrophobicContact CD2-CB 4.3Å; L57-P60 HydrophobicContact CG-CB 4.38Å; L57-I69 HydrophobicContact CD1-CB 4.19Å; L57-I69 HydrophobicContact CD1-CG2 3.59Å; L57-I69 HydrophobicContact CD2-CB 4.42Å; L57-I69 HydrophobicContact CD2-CG2 3.79Å; L57-I69 HydrophobicContact CG-CG2 4.36Å; L57-F70 WeakPolarHBondContact CD2-O 3.42Å; L57-I105 HydrophobicContact CB-CD1 3.64Å |
| 58 | R | 83.9 | Confident | 84.1 | Confident | 204 Ų | 204 | 64.8 Ų | 64.8 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -124.7 | 122.2 | 170.3 | -77.4 | -174.5 | 162 | 155.4 | -3.6 | 108.2 | C71 S72 | R58-C71 PolarHBondContact N-SG 3.38Å; R58-C71 VanDerWaalsContact O-CA 3.23Å; R58-C71 WeakPolarHBondContact O-CA 3.34Å; R58-C71 VanDerWaalsContact O-CB 3.25Å; R58-C71 WeakPolarHBondContact O-CB 3.32Å; R58-S72 PolarHBondContact O-N 3.08Å |
| 59 | E | 82.6 | Confident | 83.9 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 48.4 | 66.9 | -170.8 | -61.7 | 179 | 110.4 | 0 | 0 | 110.5 | V61 S72 | E59-V61 WeakPolarHBondContact O-CG2 3.45Å; E59-V61 PolarHBondContact O-N 2.88Å; E59-S72 PolarHBondContact O-N 3.21Å |
| 60 | P | 84.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.7 | -171.3 | 22.6 | -32.3 | 0 | 0 | 0 | 111.8 | L57 I69 F70 I97 N98 L101 D102 I105 | L57-P60 HydrophobicContact CB-CB 4.04Å; L57-P60 HydrophobicContact CD1-CB 4.1Å; L57-P60 HydrophobicContact CD2-CB 4.3Å; L57-P60 HydrophobicContact CG-CB 4.38Å; P60-I69 HydrophobicContact CB-CG2 4.07Å; P60-F70 CarbonylContact C-O 3.57Å; P60-F70 WeakPolarHBondContact CA-O 3.47Å; P60-I97 WeakPolarHBondContact O-CA 3.42Å; P60-N98 WeakPolarHBondContact CG-O 3.32Å; P60-N98 PolarHBondContact O-N 3.25Å; P60-L101 HydrophobicContact CB-CB 4.05Å; P60-L101 HydrophobicContact CB-CD1 4.2Å; P60-L101 HydrophobicContact CG-CB 3.62Å; P60-D102 HydrophobicContact CG-CB 4.26Å; P60-I105 HydrophobicContact CG-CD1 4.22Å |
| 61 | V | 83.1 | Confident | 83.7 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.6 | 178 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | E59 F70 V75 L95 | E59-V61 WeakPolarHBondContact O-CG2 3.45Å; E59-V61 PolarHBondContact O-N 2.88Å; V61-F70 PolarHBondContact N-O 2.61Å; V61-F70 PolarHBondContact O-N 3.01Å; V61-F70 VanDerWaalsContact O-N 3.1Å; V61-V75 HydrophobicContact CB-CG2 4.29Å; V61-V75 HydrophobicContact CG1-CG2 4.29Å; V61-V75 HydrophobicContact CG2-CG2 4.49Å; V61-L95 HydrophobicContact CG1-CB 4.48Å; V61-L95 HydrophobicContact CG1-CD2 3.53Å |
| 62 | C | 81.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.4 | 172 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | K96 | C62-K96 PolarHBondContact N-O 3.33Å |
| 63 | L | 75.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | trans | -91.5 | 2.9 | -178.6 | -62.3 | -176.6 | 0 | 0 | 0 | 113.9 | G65 F70 V75 C83 A90 L95 | L63-G65 PolarHBondContact O-N 3.14Å; L63-F70 HydrophobicContact CD1-CD2 4.07Å; L63-F70 HydrophobicContact CD1-CE2 3.68Å; L63-F70 HydrophobicContact CG-CD2 4.22Å; L63-F70 HydrophobicContact CG-CE2 4.2Å; L63-V75 HydrophobicContact CD2-CG1 4.49Å; L63-C83 HydrophobicContact CD1-CB 4.02Å; L63-A90 HydrophobicContact CB-CB 3.84Å; L63-A90 HydrophobicContact CD1-CB 4.16Å; L63-A90 HydrophobicContact CD2-CB 4.33Å; L63-A90 HydrophobicContact CG-CB 4.33Å; L63-L95 HydrophobicContact CD2-CD2 3.48Å; L63-L95 VanDerWaalsContact CD2-CD2 3.48Å | ||
| 64 | G | 68.2 | Low | 83.4 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 73.5 | -29.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 65 | G | 73.3 | Confident | 83.1 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -96 | -8.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | L63 T88 | L63-G65 PolarHBondContact O-N 3.14Å; G65-T88 WeakPolarHBondContact O-CG2 3.35Å |
| 66 | C | 82.2 | Confident | 82.5 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -152.3 | 172 | -179.9 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | H68 C86 | C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.94Å; C66-C86 VanDerWaalsContact SG-SG 3.7Å |
| 67 | E | 81.2 | Confident | 81.6 | Confident | 192 Ų | 192 | 57 Ų | 57 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -81.9 | 1.2 | -178.9 | -58.6 | -170.8 | 154.1 | 0 | 0 | 114.1 | ||
| 68 | H | 85.9 | Confident | 80.5 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | trans | -76.9 | 135.7 | -179.9 | -60 | 104.1 | 0 | 0 | 0 | 111.7 | C66 F70 V85 C86 | C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.94Å; H68-F70 HydrophobicContact CB-CE1 4.49Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CZ 3.51Å; H68-V85 WeakPolarHBondContact NE2-CG1 3.35Å; H68-C86 VanDerWaalsContact CE1-SG 3.58Å; H68-C86 PolarHBondContact ND1-SG 3.41Å | ||
| 69 | I | 86.5 | Confident | 79.6 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.6 | -178.3 | -52.2 | 160.6 | 0 | 0 | 0 | 108.2 | S51 L57 P60 L101 | S51-I69 PolarHBondContact N-O 2.84Å; S51-I69 PolarHBondContact OG-N 3.49Å; S51-I69 PolarHBondContact OG-O 3.05Å; L57-I69 HydrophobicContact CD1-CB 4.19Å; L57-I69 HydrophobicContact CD1-CG2 3.59Å; L57-I69 HydrophobicContact CD2-CB 4.42Å; L57-I69 HydrophobicContact CD2-CG2 3.79Å; L57-I69 HydrophobicContact CG-CG2 4.36Å; P60-I69 HydrophobicContact CB-CG2 4.07Å; I69-L101 HydrophobicContact CD1-CD1 3.76Å; I69-L101 HydrophobicContact CG1-CD1 4.43Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å |
| 70 | F | 87.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.8 | -173.7 | -54.4 | -84.7 | 0 | 0 | 0 | 111.7 | R52 L57 P60 V61 L63 H68 C74 V75 P84 V85 | R52-F70 HydrophobicContact CB-CD1 3.78Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; L57-F70 WeakPolarHBondContact CD2-O 3.42Å; P60-F70 CarbonylContact C-O 3.57Å; P60-F70 WeakPolarHBondContact CA-O 3.47Å; V61-F70 PolarHBondContact N-O 2.61Å; V61-F70 PolarHBondContact O-N 3.01Å; V61-F70 VanDerWaalsContact O-N 3.1Å; L63-F70 HydrophobicContact CD1-CD2 4.07Å; L63-F70 HydrophobicContact CD1-CE2 3.68Å; L63-F70 HydrophobicContact CG-CD2 4.22Å; L63-F70 HydrophobicContact CG-CE2 4.2Å; H68-F70 HydrophobicContact CB-CE1 4.49Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CZ 3.51Å; F70-C74 HydrophobicContact CB-CB 4.33Å; F70-V75 HydrophobicContact CB-CG1 3.39Å; F70-V75 HydrophobicContact CD1-CG1 4.34Å; F70-V75 HydrophobicContact CD2-CG1 3.71Å; F70-V75 HydrophobicContact CG-CG1 3.56Å; F70-P84 HydrophobicContact CE1-CG 4.48Å; F70-P84 HydrophobicContact CZ-CG 4.42Å; F70-V85 HydrophobicContact CE1-CG2 3.85Å; F70-V85 HydrophobicContact CZ-CG2 3.86Å |
| 71 | C | 88.7 | Confident | 77.9 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 150.3 | 164.3 | -52.7 | 0 | 0 | 0 | 0 | 109.8 | C50 R58 N73 C74 V75 | C50-C71 PolarHBondContact SG-N 3.13Å; R58-C71 PolarHBondContact N-SG 3.38Å; R58-C71 VanDerWaalsContact O-CA 3.23Å; R58-C71 WeakPolarHBondContact O-CA 3.34Å; R58-C71 VanDerWaalsContact O-CB 3.25Å; R58-C71 WeakPolarHBondContact O-CB 3.32Å; C71-N73 VanDerWaalsContact C-N 3.29Å; C71-N73 PolarHBondContact O-N 3.13Å; C71-C74 HydrophobicContact CB-CB 4.09Å; C71-C74 WeakPolarHBondContact O-CA 3.4Å; C71-C74 WeakPolarHBondContact O-CB 3.48Å; C71-C74 PolarHBondContact O-N 3.13Å; C71-V75 PolarHBondContact O-N 2.88Å |
| 72 | S | 86.2 | Confident | 77.4 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -47.1 | -51.6 | 173.4 | -177 | 0 | 0 | 0 | 0 | 112.3 | R58 E59 C74 V75 S76 | R58-S72 PolarHBondContact O-N 3.08Å; E59-S72 PolarHBondContact O-N 3.21Å; S72-C74 PolarHBondContact O-N 3.36Å; S72-V75 VanDerWaalsContact O-CG2 3.23Å; S72-V75 WeakPolarHBondContact O-CG2 3.49Å; S72-V75 PolarHBondContact O-N 3.48Å; S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.47Å |
| 73 | N | 85.1 | Confident | 77.4 | Confident | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.8 | -21.6 | 178.5 | -62.4 | -10.2 | 0 | 0 | 0 | 114.1 | C71 V75 | C71-N73 VanDerWaalsContact C-N 3.29Å; C71-N73 PolarHBondContact O-N 3.13Å; N73-V75 VanDerWaalsContact C-N 3.3Å |
| 74 | C | 84.1 | Confident | 77.6 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 14% | 0.142 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -81.5 | -10.4 | 179.9 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | R52 C53 F70 C71 S72 | R52-C74 HydrophobicContact CB-CB 4.32Å; R52-C74 VanDerWaalsContact CD-O 3.24Å; R52-C74 WeakPolarHBondContact CD-O 3.36Å; R52-C74 PolarHBondContact NH1-O 2.81Å; C53-C74 VanDerWaalsContact SG-SG 3.67Å; F70-C74 HydrophobicContact CB-CB 4.33Å; C71-C74 HydrophobicContact CB-CB 4.09Å; C71-C74 WeakPolarHBondContact O-CA 3.4Å; C71-C74 WeakPolarHBondContact O-CB 3.48Å; C71-C74 PolarHBondContact O-N 3.13Å; S72-C74 PolarHBondContact O-N 3.36Å |
| 75 | V | 79.9 | Confident | 78.3 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -116.4 | -5.5 | 179.3 | -68.6 | 0 | 0 | 0 | 0 | 113.3 | V61 L63 F70 C71 S72 N73 D77 C78 I79 | V61-V75 HydrophobicContact CB-CG2 4.29Å; V61-V75 HydrophobicContact CG1-CG2 4.29Å; V61-V75 HydrophobicContact CG2-CG2 4.49Å; L63-V75 HydrophobicContact CD2-CG1 4.49Å; F70-V75 HydrophobicContact CB-CG1 3.39Å; F70-V75 HydrophobicContact CD1-CG1 4.34Å; F70-V75 HydrophobicContact CD2-CG1 3.71Å; F70-V75 HydrophobicContact CG-CG1 3.56Å; C71-V75 PolarHBondContact O-N 2.88Å; S72-V75 VanDerWaalsContact O-CG2 3.23Å; S72-V75 WeakPolarHBondContact O-CG2 3.49Å; S72-V75 PolarHBondContact O-N 3.48Å; N73-V75 VanDerWaalsContact C-N 3.3Å; V75-D77 PolarHBondContact O-N 3.49Å; V75-D77 VanDerWaalsContact O-N 3.15Å; V75-C78 PolarHBondContact O-N 2.92Å; V75-I79 WeakPolarHBondContact O-CG1 3.37Å |
| 76 | S | 75.3 | Confident | 78.7 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -52.5 | -37.2 | -179.3 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | S72 I79 | S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.47Å; S76-I79 WeakPolarHBondContact O-CD1 3.24Å; S76-I79 WeakPolarHBondContact O-CG1 3.42Å |
| 77 | D | 71.1 | Confident | 78.5 | Confident | 140 Ų | 140 | 62.9 Ų | 62.9 | 75% | 0.749 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -89.7 | -4.2 | -178.8 | -52.4 | -33.4 | 0 | 0 | 0 | 114 | V75 | V75-D77 PolarHBondContact O-N 3.49Å; V75-D77 VanDerWaalsContact O-N 3.15Å |
| 78 | C | 64.8 | Low | 78.4 | Confident | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -114.1 | 16.7 | -174.3 | -58 | 0 | 0 | 0 | 0 | 112.6 | R52 V75 G80 T81 P84 | R52-C78 PolarHBondContact NH1-SG 2.97Å; R52-C78 VanDerWaalsContact NH1-SG 3.35Å; V75-C78 PolarHBondContact O-N 2.92Å; C78-G80 PolarHBondContact O-N 3.27Å; C78-T81 PolarHBondContact O-OG1 3.5Å; C78-P84 HydrophobicContact CB-CG 3.91Å |
| 79 | I | 64.2 | Low | 77.7 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 117.1 | -177.5 | -62.3 | 178 | 0 | 0 | 0 | 109.3 | V75 S76 I92 L95 | V75-I79 WeakPolarHBondContact O-CG1 3.37Å; S76-I79 WeakPolarHBondContact O-CD1 3.24Å; S76-I79 WeakPolarHBondContact O-CG1 3.42Å; I79-I92 HydrophobicContact CG2-CB 4.28Å; I79-I92 HydrophobicContact CG2-CD1 3.63Å; I79-I92 HydrophobicContact CG2-CG1 3.54Å; I79-I92 HydrophobicContact CG2-CG2 3.93Å; I79-L95 HydrophobicContact CG2-CD1 4.49Å |
| 80 | G | 62.6 | Low | 76.6 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -3.8 | 174 | 0 | 0 | 0 | 0 | 0 | 116.4 | C78 | C78-G80 PolarHBondContact O-N 3.27Š|
| 81 | T | 69.4 | Low | 75.4 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 74% | 0.742 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -26.2 | 179.8 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | C78 | C78-T81 PolarHBondContact O-OG1 3.5Š|
| 82 | G | 72.8 | Confident | 73.9 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | trans | 124.4 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T88 | G82-T88 CarbonylContact C-O 3.54Å; G82-T88 VanDerWaalsContact CA-O 3.32Å; G82-T88 WeakPolarHBondContact CA-O 3.24Å | ||
| 83 | C | 80.7 | Confident | 72.4 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -61.1 | 128.1 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | L63 V85 C86 Y87 T88 | L63-C83 HydrophobicContact CD1-CB 4.02Å; C83-V85 PolarHBondContact O-N 3.43Å; C83-C86 PolarHBondContact SG-SG 3.42Å; C83-Y87 VanDerWaalsContact O-CA 3.23Å; C83-Y87 WeakPolarHBondContact O-CA 3.42Å; C83-Y87 PolarHBondContact O-N 3.35Å; C83-T88 PolarHBondContact N-O 3.49Å | ||
| 84 | P | 80.3 | Confident | 71.1 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.3 | 179.8 | -24.5 | 33.9 | 0 | 0 | 0 | 115.6 | F70 C78 | F70-P84 HydrophobicContact CE1-CG 4.48Å; F70-P84 HydrophobicContact CZ-CG 4.42Å; C78-P84 HydrophobicContact CB-CG 3.91Å |
| 85 | V | 82.1 | Confident | 70.1 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -44.8 | -174.2 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | H68 F70 C83 | H68-V85 WeakPolarHBondContact NE2-CG1 3.35Å; F70-V85 HydrophobicContact CE1-CG2 3.85Å; F70-V85 HydrophobicContact CZ-CG2 3.86Å; C83-V85 PolarHBondContact O-N 3.43Å |
| 86 | C | 82.8 | Confident | 69.5 | Low | 48 Ų | 48 | 84.3 Ų | 84.3 | 32% | 0.324 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 4 | -173.3 | 63 | 0 | 0 | 0 | 0 | 114.1 | C66 H68 C83 T88 | C66-C86 VanDerWaalsContact SG-SG 3.7Å; H68-C86 VanDerWaalsContact CE1-SG 3.58Å; H68-C86 PolarHBondContact ND1-SG 3.41Å; C83-C86 PolarHBondContact SG-SG 3.42Å; C86-T88 PolarHBondContact O-N 3.1Å; C86-T88 PolarHBondContact SG-OG1 3.4Å |
| 87 | Y | 77.4 | Confident | 69.5 | Low | 192 Ų | 192 | 86.4 Ų | 86.4 | 75% | 0.753 | 45% | 0.454 | S | S | * | . | trans | 57.4 | 12.1 | 177.9 | -54.3 | -79.5 | 0 | 0 | 0 | 115.2 | C83 | C83-Y87 VanDerWaalsContact O-CA 3.23Å; C83-Y87 WeakPolarHBondContact O-CA 3.42Å; C83-Y87 PolarHBondContact O-N 3.35Å | ||
| 88 | T | 78.4 | Confident | 69.7 | Low | 48 Ų | 48 | 81.9 Ų | 81.9 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -61.2 | 129.5 | 173.4 | -50.1 | 0 | 0 | 0 | 0 | 109 | G65 G82 C83 C86 A90 | G65-T88 WeakPolarHBondContact O-CG2 3.35Å; G82-T88 CarbonylContact C-O 3.54Å; G82-T88 VanDerWaalsContact CA-O 3.32Å; G82-T88 WeakPolarHBondContact CA-O 3.24Å; C83-T88 PolarHBondContact N-O 3.49Å; C86-T88 PolarHBondContact O-N 3.1Å; C86-T88 PolarHBondContact SG-OG1 3.4Å; T88-A90 PolarHBondContact O-N 2.74Å | ||
| 89 | P | 71.4 | Confident | 70.4 | Confident | 91 Ų | 91 | 90.1 Ų | 90.1 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | trans | -58.7 | 133.2 | -178.1 | 22.3 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 90 | A | 63.6 | Low | 71.3 | Confident | 16 Ų | 16 | 93.2 Ų | 93.2 | 13% | 0.132 | 47% | 0.469 | C | S | . | . | trans | -128.4 | 110.9 | -179 | 0 | 0 | 0 | 0 | 0 | 107.9 | L63 T88 | L63-A90 HydrophobicContact CB-CB 3.84Å; L63-A90 HydrophobicContact CD1-CB 4.16Å; L63-A90 HydrophobicContact CD2-CB 4.33Å; L63-A90 HydrophobicContact CG-CB 4.33Å; T88-A90 PolarHBondContact O-N 2.74Å | ||
| 91 | W | 62.6 | Low | 72.3 | Confident | 200 Ų | 200 | 92.1 Ų | 92.1 | 76% | 0.758 | 45% | 0.452 | S | S | * | . | trans | -82.8 | 142.8 | -179.9 | -67.7 | 90.3 | 0 | 0 | 0 | 110.4 | Q93 D94 | W91-Q93 PolarHBondContact O-N 2.82Å; W91-Q93 VanDerWaalsContact O-N 3.1Å; W91-D94 PolarHBondContact O-N 3.24Å | ||
| 92 | I | 57.5 | Low | 72.9 | Confident | 101 Ų | 101 | 89.1 Ų | 89.1 | 52% | 0.518 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -59.4 | -28.1 | -172.2 | -56.3 | 179.1 | 0 | 0 | 0 | 112.3 | I79 D94 L95 | I79-I92 HydrophobicContact CG2-CB 4.28Å; I79-I92 HydrophobicContact CG2-CD1 3.63Å; I79-I92 HydrophobicContact CG2-CG1 3.54Å; I79-I92 HydrophobicContact CG2-CG2 3.93Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.35Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å |
| 93 | Q | 55.1 | Low | 73.6 | Confident | 187 Ų | 187 | 92 Ų | 92 | 87% | 0.874 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -77.3 | -11.5 | -178.3 | -65.3 | -179.2 | -5.2 | 0 | 0 | 113.8 | W91 | W91-Q93 PolarHBondContact O-N 2.82Å; W91-Q93 VanDerWaalsContact O-N 3.1Å |
| 94 | D | 57.5 | Low | 73.9 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -97.9 | 2.1 | -179.2 | -66.1 | -45.7 | 0 | 0 | 0 | 113.8 | W91 I92 K96 | W91-D94 PolarHBondContact O-N 3.24Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.35Å; D94-K96 PolarHBondContact O-N 3.19Å |
| 95 | L | 62.8 | Low | 74.3 | Confident | 61 Ų | 61 | 94.5 Ų | 94.5 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | trans | -66.1 | 95.8 | 176.8 | -73.3 | 165.3 | 0 | 0 | 0 | 110.4 | V61 L63 I79 I92 | V61-L95 HydrophobicContact CG1-CB 4.48Å; V61-L95 HydrophobicContact CG1-CD2 3.53Å; L63-L95 HydrophobicContact CD2-CD2 3.48Å; L63-L95 VanDerWaalsContact CD2-CD2 3.48Å; I79-L95 HydrophobicContact CG2-CD1 4.49Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å | ||
| 96 | K | 67.1 | Low | 74.5 | Confident | 150 Ų | 150 | 96 Ų | 96 | 65% | 0.652 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120 | 177.1 | -69.3 | -178.5 | -178.2 | 174.6 | 0 | 110.1 | C62 D94 N98 | C62-K96 PolarHBondContact N-O 3.33Å; D94-K96 PolarHBondContact O-N 3.19Å; K96-N98 PolarHBondContact O-N 2.69Å |
| 97 | I | 76.3 | Confident | 74.7 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 119.3 | 163.6 | -60.6 | 174.7 | 0 | 0 | 0 | 107.3 | P60 R99 | P60-I97 WeakPolarHBondContact O-CA 3.42Å; I97-R99 PolarHBondContact O-N 3.14Å; I97-R99 VanDerWaalsContact O-N 3.16Å |
| 98 | N | 74.6 | Confident | 75.1 | Confident | 44 Ų | 44 | 89.7 Ų | 89.7 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | trans | -87.8 | 86.7 | -178.8 | -165.5 | -36.8 | 0 | 0 | 0 | 110.3 | P60 K96 Q100 L101 D102 | P60-N98 WeakPolarHBondContact CG-O 3.32Å; P60-N98 PolarHBondContact O-N 3.25Å; K96-N98 PolarHBondContact O-N 2.69Å; N98-Q100 PolarHBondContact O-N 2.96Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Q100 PolarHBondContact OD1-N 3.33Å; N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 HydrophobicContact CB-CD1 3.89Å; N98-L101 HydrophobicContact CB-CG 4.14Å; N98-L101 PolarHBondContact O-N 3.24Å; N98-L101 VanDerWaalsContact O-N 3.12Å; N98-L101 PolarHBondContact OD1-N 3.02Å; N98-D102 PolarHBondContact O-N 3.44Å; N98-D102 VanDerWaalsContact O-N 3.1Å | ||
| 99 | R | 79.8 | Confident | 75.4 | Confident | 203 Ų | 203 | 89.1 Ų | 89.1 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.7 | -25 | 178.1 | -66.9 | -172.7 | 177 | -174.5 | -0.4 | 113.6 | I97 S103 | I97-R99 PolarHBondContact O-N 3.14Å; I97-R99 VanDerWaalsContact O-N 3.16Å; R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 2.77Å; R99-S103 PolarHBondContact O-OG 3.04Å |
| 100 | Q | 82.2 | Confident | 76.1 | Confident | 151 Ų | 151 | 91.1 Ų | 91.1 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.4 | -44.3 | 176.9 | -62.9 | -179.2 | -60.6 | 0 | 0 | 110.6 | N98 D102 S103 M104 | N98-Q100 PolarHBondContact O-N 2.96Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Q100 PolarHBondContact OD1-N 3.33Å; Q100-D102 VanDerWaalsContact C-N 3.31Å; Q100-D102 PolarHBondContact O-N 2.81Å; Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 3.43Å; Q100-M104 VanDerWaalsContact O-CG 3.32Å; Q100-M104 WeakPolarHBondContact O-CG 3.35Å; Q100-M104 PolarHBondContact O-N 3.07Å |
| 101 | L | 83.4 | Confident | 77.1 | Confident | 26 Ų | 26 | 94.5 Ų | 94.5 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.7 | -71.4 | 176.4 | 0 | 0 | 0 | 111.8 | L48 P60 I69 N98 S103 M104 I105 | L48-L101 HydrophobicContact CD2-CD2 3.9Å; P60-L101 HydrophobicContact CB-CB 4.05Å; P60-L101 HydrophobicContact CB-CD1 4.2Å; P60-L101 HydrophobicContact CG-CB 3.62Å; I69-L101 HydrophobicContact CD1-CD1 3.76Å; I69-L101 HydrophobicContact CG1-CD1 4.43Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å; N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 HydrophobicContact CB-CD1 3.89Å; N98-L101 HydrophobicContact CB-CG 4.14Å; N98-L101 PolarHBondContact O-N 3.24Å; N98-L101 VanDerWaalsContact O-N 3.12Å; N98-L101 PolarHBondContact OD1-N 3.02Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.49Å; L101-M104 HydrophobicContact CD2-SD 4.25Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.04Å; L101-M104 VanDerWaalsContact O-N 3.16Å; L101-I105 WeakPolarHBondContact O-CD1 3.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å |
| 102 | D | 83.3 | Confident | 78.2 | Confident | 58 Ų | 58 | 87.6 Ų | 87.6 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 173.7 | -166.2 | 66.5 | 0 | 0 | 0 | 111.4 | P60 N98 Q100 M104 I105 Q106 | P60-D102 HydrophobicContact CG-CB 4.26Å; N98-D102 PolarHBondContact O-N 3.44Å; N98-D102 VanDerWaalsContact O-N 3.1Å; Q100-D102 VanDerWaalsContact C-N 3.31Å; Q100-D102 PolarHBondContact O-N 2.81Å; D102-M104 VanDerWaalsContact C-N 3.29Å; D102-M104 PolarHBondContact O-N 3.25Å; D102-I105 PolarHBondContact O-N 3.3Å; D102-I105 VanDerWaalsContact O-N 3.14Å; D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.41Å |
| 103 | S | 86.3 | Confident | 79.2 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | R99 Q100 L101 Q106 L107 | R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 2.77Å; R99-S103 PolarHBondContact O-OG 3.04Å; Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 3.43Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.49Å; S103-Q106 PolarHBondContact O-N 3.41Å; S103-L107 WeakPolarHBondContact O-CB 3.32Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.39Å |
| 104 | M | 87.6 | Confident | 80.4 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.6 | -68.3 | 178 | 84.3 | 0 | 0 | 111.9 | L44 Q100 L101 D102 L107 C108 | L44-M104 HydrophobicContact CD1-CE 4.25Å; Q100-M104 VanDerWaalsContact O-CG 3.32Å; Q100-M104 WeakPolarHBondContact O-CG 3.35Å; Q100-M104 PolarHBondContact O-N 3.07Å; L101-M104 HydrophobicContact CD2-SD 4.25Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.04Å; L101-M104 VanDerWaalsContact O-N 3.16Å; D102-M104 VanDerWaalsContact C-N 3.29Å; D102-M104 PolarHBondContact O-N 3.25Å; M104-L107 PolarHBondContact O-N 3.33Å; M104-C108 WeakPolarHBondContact O-CB 3.49Å; M104-C108 PolarHBondContact O-N 2.86Å; M104-C108 PolarHBondContact O-SG 3.16Å |
| 105 | I | 87.9 | Confident | 81.1 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.9 | -67 | 156 | 0 | 0 | 0 | 110.7 | L48 I56 L57 P60 L101 D102 C108 S109 | L48-I105 HydrophobicContact CB-CG1 4.27Å; L48-I105 HydrophobicContact CD1-CG1 3.89Å; L48-I105 HydrophobicContact CD2-CG1 4.12Å; L48-I105 HydrophobicContact CG-CG1 4.32Å; I56-I105 HydrophobicContact CG2-CG1 4.33Å; I56-I105 HydrophobicContact CG2-CG2 3.78Å; L57-I105 HydrophobicContact CB-CD1 3.64Å; P60-I105 HydrophobicContact CG-CD1 4.22Å; L101-I105 WeakPolarHBondContact O-CD1 3.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å; D102-I105 PolarHBondContact O-N 3.3Å; D102-I105 VanDerWaalsContact O-N 3.14Å; I105-C108 PolarHBondContact O-N 3.18Å; I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.11Å |
| 106 | Q | 86.4 | Confident | 81.3 | Confident | 100 Ų | 100 | 83.5 Ų | 83.5 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.2 | -66.4 | -58.7 | -27.2 | 0 | 0 | 111.7 | D102 S103 S109 K110 | D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.41Å; S103-Q106 PolarHBondContact O-N 3.41Å; Q106-S109 PolarHBondContact O-N 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.49Å; Q106-K110 VanDerWaalsContact O-N 3.07Å |
| 107 | L | 87.5 | Confident | 80.8 | Confident | 103 Ų | 103 | 81.8 Ų | 81.8 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.4 | -73.2 | 170.6 | 0 | 0 | 0 | 112.1 | S103 M104 S109 K110 L111 | S103-L107 WeakPolarHBondContact O-CB 3.32Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.39Å; M104-L107 PolarHBondContact O-N 3.33Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 3.31Å; L107-K110 PolarHBondContact O-N 3.13Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.39Å |
| 108 | C | 86.3 | Confident | 79.8 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 176 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | L41 L44 L48 M104 I105 L111 R112 | L41-C108 HydrophobicContact CD1-CB 4.02Å; L44-C108 WeakPolarHBondContact CD2-SG 3.44Å; L48-C108 HydrophobicContact CD1-CB 4.45Å; M104-C108 WeakPolarHBondContact O-CB 3.49Å; M104-C108 PolarHBondContact O-N 2.86Å; M104-C108 PolarHBondContact O-SG 3.16Å; I105-C108 PolarHBondContact O-N 3.18Å; C108-L111 PolarHBondContact O-N 2.98Å; C108-R112 WeakPolarHBondContact O-CB 3.39Å; C108-R112 PolarHBondContact O-N 3.36Å |
| 109 | S | 85.2 | Confident | 78.7 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | I105 Q106 L107 R112 N113 | I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.11Å; Q106-S109 PolarHBondContact O-N 3.24Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 3.31Å; S109-R112 WeakPolarHBondContact O-CB 3.49Å; S109-R112 PolarHBondContact O-N 3.13Å; S109-N113 PolarHBondContact O-N 3.37Å; S109-N113 VanDerWaalsContact O-N 3.11Å |
| 110 | K | 86.1 | Confident | 77.6 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 174.5 | -71.2 | 176.1 | -177.2 | -179.9 | 0 | 112.1 | Q106 L107 R112 N113 L114 | Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.49Å; Q106-K110 VanDerWaalsContact O-N 3.07Å; L107-K110 PolarHBondContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 3.47Å; K110-N113 PolarHBondContact O-N 2.98Å; K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.87Å; K110-L114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 84.7 | Confident | 77 | Confident | 88 Ų | 88 | 75 Ų | 75 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.1 | -75 | 170.9 | 0 | 0 | 0 | 111.7 | L41 L107 C108 N113 L114 L115 | L41-L111 HydrophobicContact CD1-CB 4.34Å; L41-L111 HydrophobicContact CD2-CB 4.45Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.39Å; C108-L111 PolarHBondContact O-N 2.98Å; L111-N113 PolarHBondContact O-N 3.4Å; L111-L114 PolarHBondContact O-N 3.1Å; L111-L115 WeakPolarHBondContact O-CB 3.25Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å |
| 112 | R | 83.9 | Confident | 76.4 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.1 | -51.1 | 175.1 | -163 | 177.4 | -50.7 | 111.7 | 0.5 | 110 | L41 E45 C108 S109 K110 L114 L115 H116 | L41-R112 HydrophobicContact CD2-CB 3.79Å; L41-R112 HydrophobicContact CD2-CG 4.15Å; E45-R112 VanDerWaalsContact CD-CZ 3.49Å; E45-R112 VanDerWaalsContact CD-NE 3.29Å; E45-R112 IonicContact OE1-CZ 2.75Å; E45-R112 IonicContact OE1-NE 2.73Å; E45-R112 PolarHBondContact OE1-NE 3.38Å; E45-R112 VanDerWaalsContact OE1-NE 3.14Å; E45-R112 IonicContact OE1-NH2 3.34Å; E45-R112 PolarHBondContact OE1-NH2 3.41Å; E45-R112 IonicContact OE2-CZ 3.6Å; E45-R112 IonicContact OE2-NE 3.18Å; E45-R112 PolarHBondContact OE2-NE 2.89Å; E45-R112 IonicContact OE2-NH2 3.81Å; E45-R112 PolarHBondContact OE2-NH2 3.09Å; C108-R112 WeakPolarHBondContact O-CB 3.39Å; C108-R112 PolarHBondContact O-N 3.36Å; S109-R112 WeakPolarHBondContact O-CB 3.49Å; S109-R112 PolarHBondContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 3.47Å; R112-L114 PolarHBondContact O-N 3.34Å; R112-L115 PolarHBondContact O-N 2.83Å; R112-L115 VanDerWaalsContact O-N 3.13Å; R112-H116 VanDerWaalsContact CG-CD2 3.45Å; R112-H116 WeakPolarHBondContact CG-CD2 3.48Å; R112-H116 PolarHBondContact O-CD2 3.35Å; R112-H116 PolarHBondContact O-N 3.14Å |
| 113 | N | 80.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 179.6 | -65 | -15.8 | 0 | 0 | 0 | 111.8 | S109 K110 L111 L115 H116 D117 | S109-N113 PolarHBondContact O-N 3.37Å; S109-N113 VanDerWaalsContact O-N 3.11Å; K110-N113 PolarHBondContact O-N 2.98Å; L111-N113 PolarHBondContact O-N 3.4Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 2.82Å; N113-H116 PolarHBondContact O-N 3.32Å; N113-H116 VanDerWaalsContact O-N 3.16Å; N113-D117 WeakPolarHBondContact O-CB 3.33Å; N113-D117 PolarHBondContact O-N 2.79Å |
| 114 | L | 79.4 | Confident | 76.1 | Confident | 108 Ų | 108 | 77 Ų | 77 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.2 | -33 | 178.3 | -66.7 | 173.8 | 0 | 0 | 0 | 113.8 | K110 L111 R112 N118 | K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.87Å; K110-L114 VanDerWaalsContact O-N 3.13Å; L111-L114 PolarHBondContact O-N 3.1Å; R112-L114 PolarHBondContact O-N 3.34Å; L114-N118 PolarHBondContact O-ND2 3.17Å |
| 115 | L | 73.1 | Confident | 75.8 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -80.3 | -29.9 | 178.4 | -70.2 | 179.4 | 0 | 0 | 0 | 112.7 | W34 R38 L41 L111 R112 N113 | W34-L115 HydrophobicContact CB-CD2 3.78Å; W34-L115 HydrophobicContact CD2-CD2 3.91Å; W34-L115 HydrophobicContact CE3-CD2 4.01Å; W34-L115 HydrophobicContact CG-CD2 3.82Å; R38-L115 HydrophobicContact CG-CB 4.33Å; R38-L115 HydrophobicContact CG-CD1 4.13Å; L41-L115 HydrophobicContact CD2-CD1 4.05Å; L111-L115 WeakPolarHBondContact O-CB 3.25Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å; R112-L115 PolarHBondContact O-N 2.83Å; R112-L115 VanDerWaalsContact O-N 3.13Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 2.82Å |
| 116 | H | 66.4 | Low | 75.7 | Confident | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.3 | -33.4 | 174.7 | -82.7 | -87.3 | 0 | 0 | 0 | 112.7 | R112 N113 N118 E119 | R112-H116 VanDerWaalsContact CG-CD2 3.45Å; R112-H116 WeakPolarHBondContact CG-CD2 3.48Å; R112-H116 PolarHBondContact O-CD2 3.35Å; R112-H116 PolarHBondContact O-N 3.14Å; N113-H116 PolarHBondContact O-N 3.32Å; N113-H116 VanDerWaalsContact O-N 3.16Å; H116-N118 PolarHBondContact O-N 3.29Å; H116-E119 PolarHBondContact O-N 3.45Å; H116-E119 VanDerWaalsContact O-N 3.16Å |
| 117 | D | 56.6 | Low | 75.8 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 61% | 0.61 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.7 | 174.9 | -72.3 | -23.9 | 0 | 0 | 0 | 112.9 | N113 | N113-D117 WeakPolarHBondContact O-CB 3.33Å; N113-D117 PolarHBondContact O-N 2.79Å |
| 118 | N | 54 | Low | 75.7 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 32% | 0.316 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.1 | -179.2 | -91.9 | -53.7 | 0 | 0 | 0 | 115 | L114 H116 K124 | L114-N118 PolarHBondContact O-ND2 3.17Å; H116-N118 PolarHBondContact O-N 3.29Å; N118-K124 PolarHBondContact O-NZ 3.34Å; N118-K124 PolarHBondContact OD1-NZ 3.15Å |
| 119 | E | 52.4 | Low | 75.7 | Confident | 127 Ų | 127 | 88.5 Ų | 88.5 | 59% | 0.593 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -12.2 | -175.6 | -71.2 | -167 | 168.7 | 0 | 0 | 115.6 | R38 H116 | R38-E119 IonicContact CZ-OE1 3.79Å; R38-E119 IonicContact NH1-OE1 2.81Å; R38-E119 PolarHBondContact NH1-OE1 3.19Å; R38-E119 IonicContact NH2-OE1 3.25Å; R38-E119 PolarHBondContact NH2-OE1 2.87Å; H116-E119 PolarHBondContact O-N 3.45Å; H116-E119 VanDerWaalsContact O-N 3.16Å |
| 120 | L | 56.4 | Low | 75.9 | Confident | 135 Ų | 135 | 96 Ų | 96 | 71% | 0.707 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -115.8 | 17 | -175.1 | -92.7 | 154.1 | 0 | 0 | 0 | 115.1 | G122 | L120-G122 PolarHBondContact O-N 3.38Š|
| 121 | S | 68.8 | Low | 76.2 | Confident | 37 Ų | 37 | 94 Ų | 94 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | trans | -82.2 | 109.3 | -178.4 | 121.5 | 0 | 0 | 0 | 0 | 111 | V123 K124 A125 | S121-V123 PolarHBondContact O-N 3.27Å; S121-V123 VanDerWaalsContact O-N 3.13Å; S121-K124 WeakPolarHBondContact O-CB 3.22Å; S121-K124 PolarHBondContact O-N 3.16Å; S121-K124 WeakPolarHBondContact OG-CG 3.25Å; S121-K124 PolarHBondContact OG-N 3.27Å; S121-A125 PolarHBondContact O-N 2.98Å | ||
| 122 | G | 72.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 94.7 Ų | 94.7 | 18% | 0.175 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -51.1 | -31.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | L120 K124 A125 C126 | L120-G122 PolarHBondContact O-N 3.38Å; G122-K124 VanDerWaalsContact C-N 3.34Å; G122-K124 PolarHBondContact O-N 3.1Å; G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.87Å; G122-A125 VanDerWaalsContact O-N 3.09Å; G122-C126 PolarHBondContact O-N 3.41Å; G122-C126 PolarHBondContact O-SG 3.39Å |
| 123 | V | 81.1 | Confident | 76.5 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.606 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -55 | -43.9 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | S121 C126 L127 | S121-V123 PolarHBondContact O-N 3.27Å; S121-V123 VanDerWaalsContact O-N 3.13Å; V123-C126 PolarHBondContact O-N 2.97Å; V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å |
| 124 | K | 81.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 95.8 Ų | 95.8 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.1 | -76.6 | 173.7 | -173.5 | -170.6 | 0 | 112.1 | N118 S121 G122 R128 | N118-K124 PolarHBondContact O-NZ 3.34Å; N118-K124 PolarHBondContact OD1-NZ 3.15Å; S121-K124 WeakPolarHBondContact O-CB 3.22Å; S121-K124 PolarHBondContact O-N 3.16Å; S121-K124 WeakPolarHBondContact OG-CG 3.25Å; S121-K124 PolarHBondContact OG-N 3.27Å; G122-K124 VanDerWaalsContact C-N 3.34Å; G122-K124 PolarHBondContact O-N 3.1Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 VanDerWaalsContact O-CG 3.28Å; K124-R128 WeakPolarHBondContact O-CG 3.23Å; K124-R128 PolarHBondContact O-N 3.43Å; K124-R128 VanDerWaalsContact O-N 3.09Å |
| 125 | A | 82.4 | Confident | 77.3 | Confident | 14 Ų | 14 | 97.4 Ų | 97.4 | 12% | 0.116 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S121 G122 R128 R129 E133 Y138 | S121-A125 PolarHBondContact O-N 2.98Å; G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.87Å; G122-A125 VanDerWaalsContact O-N 3.09Å; A125-R128 PolarHBondContact O-N 3.3Å; A125-R129 PolarHBondContact O-N 3.38Å; A125-R129 VanDerWaalsContact O-N 3.07Å; A125-E133 HydrophobicContact CB-CG 3.87Å; A125-Y138 HydrophobicContact CB-CE1 4.13Å; A125-Y138 HydrophobicContact CB-CE2 4.21Å; A125-Y138 WeakPolarHBondContact CB-OH 3.25Å |
| 126 | C | 85.6 | Confident | 78 | Confident | 36 Ų | 36 | 101.5 Ų | 101.5 | 24% | 0.243 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | G122 V123 R128 R129 K130 V131 E133 | G122-C126 PolarHBondContact O-N 3.41Å; G122-C126 PolarHBondContact O-SG 3.39Å; V123-C126 PolarHBondContact O-N 2.97Å; C126-R128 VanDerWaalsContact C-N 3.35Å; C126-R128 PolarHBondContact O-N 3.21Å; C126-R129 PolarHBondContact O-N 3.37Å; C126-K130 VanDerWaalsContact O-CA 3.28Å; C126-K130 WeakPolarHBondContact O-CA 3.41Å; C126-K130 PolarHBondContact O-N 3.32Å; C126-V131 WeakPolarHBondContact CA-O 3.24Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact O-N 3.49Å; C126-E133 PolarHBondContact SG-N 3.1Å |
| 127 | L | 87.1 | Confident | 78.9 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 179.6 | -74.9 | 171.4 | 0 | 0 | 0 | 112.6 | V123 | V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å |
| 128 | R | 87.1 | Confident | 80.2 | Confident | 210 Ų | 210 | 99.6 Ų | 99.6 | 79% | 0.792 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.2 | -41.3 | 179 | -76.5 | 175.8 | 178.1 | -179.1 | -0.2 | 112.5 | K124 A125 C126 | K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 VanDerWaalsContact O-CG 3.28Å; K124-R128 WeakPolarHBondContact O-CG 3.23Å; K124-R128 PolarHBondContact O-N 3.43Å; K124-R128 VanDerWaalsContact O-N 3.09Å; A125-R128 PolarHBondContact O-N 3.3Å; C126-R128 VanDerWaalsContact C-N 3.35Å; C126-R128 PolarHBondContact O-N 3.21Å |
| 129 | R | 85.7 | Confident | 81.6 | Confident | 153 Ų | 153 | 99 Ų | 99 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -90.7 | -10 | -176.2 | -69.1 | 172.8 | 172.2 | -166.2 | -2.6 | 113.2 | A125 C126 V131 E133 | A125-R129 PolarHBondContact O-N 3.38Å; A125-R129 VanDerWaalsContact O-N 3.07Å; C126-R129 PolarHBondContact O-N 3.37Å; R129-V131 PolarHBondContact O-N 3.15Å; R129-E133 WeakPolarHBondContact CD-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 3.95Å; R129-E133 IonicContact CZ-OE2 3.47Å; R129-E133 IonicContact NE-OE1 3.56Å; R129-E133 IonicContact NH1-OE1 2.91Å; R129-E133 PolarHBondContact NH1-OE1 2.98Å; R129-E133 IonicContact NH1-OE2 3.73Å; R129-E133 PolarHBondContact NH1-OE2 2.95Å |
| 130 | K | 89.3 | Confident | 83.1 | Confident | 192 Ų | 192 | 98.9 Ų | 98.9 | 84% | 0.835 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31 | -174.4 | -57.9 | -178 | 179.4 | 179.7 | 0 | 112.9 | C126 | C126-K130 VanDerWaalsContact O-CA 3.28Å; C126-K130 WeakPolarHBondContact O-CA 3.41Å; C126-K130 PolarHBondContact O-N 3.32Å |
| 131 | V | 92.1 | Very high | 84.5 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -137.4 | 149.5 | -178.1 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | C126 R129 E133 | C126-V131 WeakPolarHBondContact CA-O 3.24Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact O-N 3.49Å; R129-V131 PolarHBondContact O-N 3.15Å; V131-E133 PolarHBondContact O-N 3.12Å |
| 132 | C | 87.3 | Confident | 85.6 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | trans | -71.3 | 108.6 | 169.2 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 133 | E | 88 | Confident | 86.5 | Confident | 28 Ų | 28 | 100.2 Ų | 100.2 | 13% | 0.131 | 49% | 0.487 | C | S | . | . | trans | -68.3 | 155.1 | 175.6 | -73.2 | -74.3 | 134 | 0 | 0 | 111.1 | A125 C126 R129 V131 E135 Y138 | A125-E133 HydrophobicContact CB-CG 3.87Å; C126-E133 PolarHBondContact SG-N 3.1Å; R129-E133 WeakPolarHBondContact CD-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 3.95Å; R129-E133 IonicContact CZ-OE2 3.47Å; R129-E133 IonicContact NE-OE1 3.56Å; R129-E133 IonicContact NH1-OE1 2.91Å; R129-E133 PolarHBondContact NH1-OE1 2.98Å; R129-E133 IonicContact NH1-OE2 3.73Å; R129-E133 PolarHBondContact NH1-OE2 2.95Å; V131-E133 PolarHBondContact O-N 3.12Å; E133-E135 PolarHBondContact O-N 3.38Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E133-Y138 HydrophobicContact CB-CD2 4.45Å; E133-Y138 HydrophobicContact CB-CE2 3.87Å; E133-Y138 HydrophobicContact CG-CE2 4.29Å | ||
| 134 | Q | 88.4 | Confident | 87.1 | Confident | 150 Ų | 150 | 98.4 Ų | 98.4 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | trans | -57.3 | 118.9 | 170.5 | -73.7 | -179.3 | -12.3 | 0 | 0 | 110.2 | E136 K137 | Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.33Å; Q134-K137 PolarHBondContact O-N 3.43Å | ||
| 135 | E | 87.6 | Confident | 87.5 | Confident | 143 Ų | 143 | 101.5 Ų | 101.5 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -67.5 | -32.1 | -171.7 | -63.6 | 179.3 | 143.9 | 0 | 0 | 111.6 | E133 K137 Y138 E139 | E133-E135 PolarHBondContact O-N 3.38Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E135-K137 PolarHBondContact O-N 3.5Å; E135-K137 VanDerWaalsContact O-N 3.14Å; E135-Y138 CarbonylContact O-C 3.51Å; E135-Y138 PolarHBondContact O-N 2.94Å; E135-E139 PolarHBondContact O-N 3.29Å |
| 136 | E | 87.4 | Confident | 88.1 | Confident | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -59.5 | -29.4 | -178.8 | -60.4 | 85.4 | 170.5 | 0 | 0 | 112.8 | Q134 Y138 | Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.33Å; E136-Y138 VanDerWaalsContact C-N 3.25Å; E136-Y138 PolarHBondContact O-N 2.94Å |
| 137 | K | 85.3 | Confident | 88.6 | Confident | 128 Ų | 128 | 105.6 Ų | 105.6 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -69 | -26.5 | 178 | -178 | 178.9 | 174.2 | -169 | 0 | 112.7 | Q134 E135 | Q134-K137 PolarHBondContact O-N 3.43Å; E135-K137 PolarHBondContact O-N 3.5Å; E135-K137 VanDerWaalsContact O-N 3.14Å |
| 138 | Y | 84.8 | Confident | 89 | Confident | 61 Ų | 61 | 102.2 Ų | 102.2 | 24% | 0.239 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -112 | 6.3 | -176.9 | -58.4 | -83.4 | 0 | 0 | 0 | 111.8 | A125 E133 E135 E136 | A125-Y138 HydrophobicContact CB-CE1 4.13Å; A125-Y138 HydrophobicContact CB-CE2 4.21Å; A125-Y138 WeakPolarHBondContact CB-OH 3.25Å; E133-Y138 HydrophobicContact CB-CD2 4.45Å; E133-Y138 HydrophobicContact CB-CE2 3.87Å; E133-Y138 HydrophobicContact CG-CE2 4.29Å; E135-Y138 CarbonylContact O-C 3.51Å; E135-Y138 PolarHBondContact O-N 2.94Å; E136-Y138 VanDerWaalsContact C-N 3.25Å; E136-Y138 PolarHBondContact O-N 2.94Å |
| 139 | E | 83.8 | Confident | 89.4 | Confident | 48 Ų | 48 | 95.1 Ų | 95.1 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | trans | -70.2 | 137.6 | -178.3 | -178.9 | 169.6 | -139.6 | 0 | 0 | 111.2 | E135 R145 R148 | E135-E139 PolarHBondContact O-N 3.29Å; E139-R145 HydrophobicContact CG-CB 4.3Å; E139-R145 WeakPolarHBondContact OE1-CA 3.47Å; E139-R145 WeakPolarHBondContact OE2-CG 3.24Å; E139-R148 WeakPolarHBondContact OE1-CD 3.47Å; E139-R148 IonicContact OE1-CZ 3.81Å; E139-R148 IonicContact OE1-NE 2.94Å; E139-R148 PolarHBondContact OE1-NE 3.29Å; E139-R148 IonicContact OE1-NH2 3.57Å; E139-R148 IonicContact OE2-CZ 2.68Å; E139-R148 IonicContact OE2-NE 3.14Å; E139-R148 PolarHBondContact OE2-NE 3.07Å; E139-R148 IonicContact OE2-NH2 3.13Å; E139-R148 PolarHBondContact OE2-NH2 2.96Å | ||
| 140 | I | 84.3 | Confident | 89.9 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | trans | -70.6 | 126.4 | 171.9 | -59.7 | 174.8 | 0 | 0 | 0 | 108 | P144 | I140-P144 HydrophobicContact CB-CG 4.17Å; I140-P144 HydrophobicContact CG2-CG 4.18Å | ||
| 141 | P | 84.1 | Confident | 90.2 | Very high | 82 Ų | 82 | 89.3 Ų | 89.3 | 53% | 0.532 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 175.7 | -175.1 | 29.8 | -36.5 | 0 | 0 | 0 | 113 | G143 P144 | P141-G143 PolarHBondContact O-N 2.83Å; P141-P144 WeakPolarHBondContact O-CD 3.42Å |
| 142 | E | 92 | Very high | 90.3 | Very high | 130 Ų | 130 | 90.5 Ų | 90.5 | 61% | 0.607 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | -112.3 | 178 | -50.2 | -49.8 | 123.6 | 0 | 0 | 114.8 | R145 R146 | E142-R145 PolarHBondContact O-N 2.85Å; E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å |
| 143 | G | 91.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 91.8 Ų | 91.8 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.8 | -52.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P141 R145 R146 S147 S256 F257 | P141-G143 PolarHBondContact O-N 2.83Å; G143-R145 PolarHBondContact O-N 2.74Å; G143-R146 PolarHBondContact O-N 2.95Å; G143-S147 WeakPolarHBondContact O-CB 3.26Å; G143-S147 PolarHBondContact O-N 3.29Å; G143-S256 VanDerWaalsContact CA-O 3.25Å; G143-S256 WeakPolarHBondContact CA-O 3.25Å; G143-F257 WeakPolarHBondContact O-CB 3.44Å |
| 144 | P | 92.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 98.1 Ų | 98.1 | 41% | 0.409 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 177.5 | -27.3 | 36.2 | 0 | 0 | 0 | 112.9 | I140 P141 S147 R148 | I140-P144 HydrophobicContact CB-CG 4.17Å; I140-P144 HydrophobicContact CG2-CG 4.18Å; P141-P144 WeakPolarHBondContact O-CD 3.42Å; P144-S147 WeakPolarHBondContact O-CB 3.33Å; P144-S147 PolarHBondContact O-N 3.26Å; P144-R148 PolarHBondContact O-N 2.91Å |
| 145 | R | 91.6 | Very high | 91.4 | Very high | 139 Ų | 139 | 93.7 Ų | 93.7 | 53% | 0.525 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.8 | -176 | 173.9 | 179.3 | -167.8 | 1.1 | 112.6 | E139 E142 G143 S147 R148 L149 | E139-R145 HydrophobicContact CG-CB 4.3Å; E139-R145 WeakPolarHBondContact OE1-CA 3.47Å; E139-R145 WeakPolarHBondContact OE2-CG 3.24Å; E142-R145 PolarHBondContact O-N 2.85Å; G143-R145 PolarHBondContact O-N 2.74Å; R145-S147 VanDerWaalsContact C-N 3.34Å; R145-S147 PolarHBondContact O-N 3.11Å; R145-R148 PolarHBondContact O-N 3.48Å; R145-L149 HydrophobicContact CG-CD1 4.13Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.37Å |
| 146 | R | 93.9 | Very high | 91.9 | Very high | 88 Ų | 88 | 88.8 Ų | 88.8 | 33% | 0.332 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 175.1 | -76.5 | -171.5 | -77.4 | -178.4 | -13.7 | 111.5 | E142 G143 L149 N150 S256 F257 E258 | E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å; G143-R146 PolarHBondContact O-N 2.95Å; R146-L149 PolarHBondContact O-N 2.95Å; R146-N150 VanDerWaalsContact O-CB 3.25Å; R146-N150 WeakPolarHBondContact O-CB 3.38Å; R146-N150 PolarHBondContact O-N 3.43Å; R146-S256 PolarHBondContact NE-O 2.83Å; R146-S256 VanDerWaalsContact NE-O 3.11Å; R146-S256 PolarHBondContact NH2-O 3.38Å; R146-F257 HydrophobicContact CB-CB 4.34Å; R146-F257 HydrophobicContact CB-CD1 3.97Å; R146-E258 IonicContact CZ-OE2 2.61Å; R146-E258 IonicContact NH1-OE2 3.41Å; R146-E258 PolarHBondContact NH1-OE2 3.11Å; R146-E258 IonicContact NH2-OE2 3.25Å |
| 147 | S | 95.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 89.2 Ų | 89.2 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 112.7 | G143 P144 R145 N150 R151 F257 | G143-S147 WeakPolarHBondContact O-CB 3.26Å; G143-S147 PolarHBondContact O-N 3.29Å; P144-S147 WeakPolarHBondContact O-CB 3.33Å; P144-S147 PolarHBondContact O-N 3.26Å; R145-S147 VanDerWaalsContact C-N 3.34Å; R145-S147 PolarHBondContact O-N 3.11Å; S147-N150 PolarHBondContact O-N 3.32Å; S147-R151 PolarHBondContact O-N 3.21Å; S147-R151 VanDerWaalsContact O-N 3.1Å; S147-F257 WeakPolarHBondContact OG-CD2 3.42Å; S147-F257 VanDerWaalsContact OG-CE2 3.28Å; S147-F257 WeakPolarHBondContact OG-CE2 3.29Å |
| 148 | R | 95.9 | Very high | 92.9 | Very high | 59 Ų | 59 | 83.4 Ų | 83.4 | 22% | 0.223 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 177.2 | -177.3 | -175.9 | 58.8 | 84.7 | -7.8 | 111.5 | E139 P144 R145 N150 R151 E152 | E139-R148 WeakPolarHBondContact OE1-CD 3.47Å; E139-R148 IonicContact OE1-CZ 3.81Å; E139-R148 IonicContact OE1-NE 2.94Å; E139-R148 PolarHBondContact OE1-NE 3.29Å; E139-R148 IonicContact OE1-NH2 3.57Å; E139-R148 IonicContact OE2-CZ 2.68Å; E139-R148 IonicContact OE2-NE 3.14Å; E139-R148 PolarHBondContact OE2-NE 3.07Å; E139-R148 IonicContact OE2-NH2 3.13Å; E139-R148 PolarHBondContact OE2-NH2 2.96Å; P144-R148 PolarHBondContact O-N 2.91Å; R145-R148 PolarHBondContact O-N 3.48Å; R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 PolarHBondContact O-N 3.16Å; R148-R151 PolarHBondContact O-N 2.97Å; R148-R151 VanDerWaalsContact O-N 3.15Å; R148-E152 WeakPolarHBondContact CG-OE1 3.46Å; R148-E152 IonicContact CZ-OE1 3.26Å; R148-E152 VanDerWaalsContact NH1-CD 3.31Å; R148-E152 IonicContact NH1-OE1 3.29Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.85Å; R148-E152 PolarHBondContact NH1-OE2 3.15Å; R148-E152 PolarHBondContact O-N 3.1Å |
| 149 | L | 94.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 80.6 Ų | 80.6 | 32% | 0.319 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 180 | -68.3 | 174.9 | 0 | 0 | 0 | 112.2 | R145 R146 R151 E152 Q153 | R145-L149 HydrophobicContact CG-CD1 4.13Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 2.95Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.46Å; L149-E152 PolarHBondContact O-N 3.12Å; L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 3.2Å; L149-Q153 VanDerWaalsContact O-N 3.16Å; L149-Q153 PolarHBondContact O-NE2 2.84Å |
| 150 | N | 96.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 81.9 Ų | 81.9 | 10% | 0.096 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.4 | 176.9 | -93.4 | 0 | 0 | 0 | 111.7 | R146 S147 R148 Q153 L154 L155 P156 H210 F257 | R146-N150 VanDerWaalsContact O-CB 3.25Å; R146-N150 WeakPolarHBondContact O-CB 3.38Å; R146-N150 PolarHBondContact O-N 3.43Å; S147-N150 PolarHBondContact O-N 3.32Å; R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 PolarHBondContact O-N 3.16Å; N150-Q153 PolarHBondContact O-N 2.8Å; N150-L154 PolarHBondContact O-N 3.26Å; N150-L155 WeakPolarHBondContact ND2-CB 3.5Å; N150-L155 WeakPolarHBondContact O-CB 3.5Å; N150-L155 PolarHBondContact O-N 2.9Å; N150-L155 VanDerWaalsContact O-N 3.12Å; N150-P156 PolarHBondContact OD1-O 3.06Å; N150-H210 PolarHBondContact ND2-CE1 3.47Å; N150-H210 VanDerWaalsContact ND2-CE1 3.32Å; N150-F257 HydrophobicContact CB-CE1 3.6Å; N150-F257 HydrophobicContact CB-CZ 3.88Å |
| 151 | R | 95.7 | Very high | 94.4 | Very high | 205 Ų | 205 | 76.7 Ų | 76.7 | 77% | 0.774 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 178.2 | -175 | 175.1 | 179.6 | 177.1 | -1.6 | 113 | S147 R148 L149 Q153 L154 | S147-R151 PolarHBondContact O-N 3.21Å; S147-R151 VanDerWaalsContact O-N 3.1Å; R148-R151 PolarHBondContact O-N 2.97Å; R148-R151 VanDerWaalsContact O-N 3.15Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.46Å; R151-Q153 PolarHBondContact O-N 3.07Å; R151-L154 PolarHBondContact O-N 2.92Å |
| 152 | E | 94.6 | Very high | 95 | Very high | 116 Ų | 116 | 72.8 Ų | 72.8 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 175.1 | -75.8 | 171.8 | -171.3 | 0 | 0 | 112 | R148 L149 L154 | R148-E152 WeakPolarHBondContact CG-OE1 3.46Å; R148-E152 IonicContact CZ-OE1 3.26Å; R148-E152 VanDerWaalsContact NH1-CD 3.31Å; R148-E152 IonicContact NH1-OE1 3.29Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.85Å; R148-E152 PolarHBondContact NH1-OE2 3.15Å; R148-E152 PolarHBondContact O-N 3.1Å; L149-E152 PolarHBondContact O-N 3.12Å; E152-L154 PolarHBondContact O-N 3.42Å |
| 153 | Q | 96.1 | Very high | 95.1 | Very high | 129 Ų | 129 | 68.5 Ų | 68.5 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3.5 | 174.9 | -66.5 | 172.9 | 44.9 | 0 | 0 | 113.5 | L149 N150 R151 L155 | L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 3.2Å; L149-Q153 VanDerWaalsContact O-N 3.16Å; L149-Q153 PolarHBondContact O-NE2 2.84Å; N150-Q153 PolarHBondContact O-N 2.8Å; R151-Q153 PolarHBondContact O-N 3.07Å; Q153-L155 HydrophobicContact CB-CD1 4.03Å; Q153-L155 HydrophobicContact CB-CG 3.82Å; Q153-L155 PolarHBondContact O-N 3.16Å |
| 154 | L | 95.6 | Very high | 95.4 | Very high | 160 Ų | 160 | 68.3 Ų | 68.3 | 84% | 0.838 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31.7 | -179.1 | -54.5 | 173.9 | 0 | 0 | 0 | 113.4 | N150 R151 E152 | N150-L154 PolarHBondContact O-N 3.26Å; R151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 3.42Å |
| 155 | L | 95.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 67.5 Ų | 67.5 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 162.7 | 179.8 | -65.5 | 177.7 | 0 | 0 | 0 | 111.8 | N150 Q153 Y209 | N150-L155 WeakPolarHBondContact ND2-CB 3.5Å; N150-L155 WeakPolarHBondContact O-CB 3.5Å; N150-L155 PolarHBondContact O-N 2.9Å; N150-L155 VanDerWaalsContact O-N 3.12Å; Q153-L155 HydrophobicContact CB-CD1 4.03Å; Q153-L155 HydrophobicContact CB-CG 3.82Å; Q153-L155 PolarHBondContact O-N 3.16Å; L155-Y209 HydrophobicContact CB-CE1 4.48Å |
| 156 | P | 96.9 | Very high | 95.8 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 147.8 | 177 | -26 | 36 | 0 | 0 | 0 | 112.7 | N150 D160 Y209 H210 | N150-P156 PolarHBondContact OD1-O 3.06Å; P156-D160 HydrophobicContact CB-CB 3.75Å; P156-Y209 HydrophobicContact CB-CD1 4.24Å; P156-Y209 HydrophobicContact CB-CG 3.99Å; P156-Y209 HydrophobicContact CG-CD1 4.18Å; P156-Y209 HydrophobicContact CG-CD2 3.81Å; P156-Y209 HydrophobicContact CG-CE2 4.31Å; P156-Y209 HydrophobicContact CG-CG 3.74Å; P156-H210 PolarHBondContact O-NE2 3.1Å |
| 157 | K | 97.6 | Very high | 95.7 | Very high | 113 Ų | 113 | 61.4 Ų | 61.4 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 162 | 176.8 | -61 | 179 | 172.2 | -171.3 | 0 | 111.3 | F159 D160 A184 G185 H210 | K157-F159 VanDerWaalsContact C-N 3.25Å; K157-F159 PolarHBondContact O-N 2.79Å; K157-F159 VanDerWaalsContact O-N 3.1Å; K157-D160 VanDerWaalsContact O-CB 3.28Å; K157-D160 WeakPolarHBondContact O-CB 3.36Å; K157-D160 PolarHBondContact O-N 3.18Å; K157-A184 WeakPolarHBondContact CD-O 3.41Å; K157-A184 PolarHBondContact NZ-O 3.43Å; K157-A184 VanDerWaalsContact NZ-O 3.12Å; K157-G185 WeakPolarHBondContact CB-O 3.49Å; K157-H210 PolarHBondContact O-CD2 2.72Å; K157-H210 PolarHBondContact O-NE2 3.42Å |
| 158 | L | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -43.2 | -173.2 | -176.9 | 61.2 | 0 | 0 | 0 | 114.3 | G185 H210 C253 F257 | L158-G185 PolarHBondContact N-O 3.44Å; L158-H210 VanDerWaalsContact CA-CD2 3.41Å; L158-H210 WeakPolarHBondContact CA-CD2 2.93Å; L158-H210 HydrophobicContact CD1-CB 4.15Å; L158-H210 PolarHBondContact O-CD2 3.08Å; L158-C253 WeakPolarHBondContact CD2-O 3.39Å; L158-F257 HydrophobicContact CB-CD2 4.19Å; L158-F257 HydrophobicContact CB-CE2 3.88Å; L158-F257 HydrophobicContact CB-CZ 4.39Å; L158-F257 HydrophobicContact CD1-CD2 4.48Å; L158-F257 HydrophobicContact CD2-CD2 4.31Å |
| 159 | F | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 22.2 | -175.9 | -57.8 | -50.3 | 0 | 0 | 0 | 113 | K157 G161 C162 F164 G185 G186 G187 F250 C253 V254 L259 | K157-F159 VanDerWaalsContact C-N 3.25Å; K157-F159 PolarHBondContact O-N 2.79Å; K157-F159 VanDerWaalsContact O-N 3.1Å; F159-G161 PolarHBondContact O-N 3.1Å; F159-C162 HydrophobicContact CB-CB 4.2Å; F159-C162 WeakPolarHBondContact O-CB 3.28Å; F159-C162 PolarHBondContact O-N 3.2Å; F159-F164 HydrophobicContact CB-CE2 3.92Å; F159-F164 HydrophobicContact CB-CZ 4.19Å; F159-F164 HydrophobicContact CD1-CE2 4.32Å; F159-F164 AromaticContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD2-CZ 4.44Å; F159-F164 HydrophobicContact CE1-CZ 4.17Å; F159-F164 HydrophobicContact CG-CE2 4.04Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; F159-G185 WeakPolarHBondContact CA-O 3.49Å; F159-G185 WeakPolarHBondContact CB-O 3.48Å; F159-G185 PolarHBondContact N-O 3.15Å; F159-G186 CarbonylContact O-C 3.59Å; F159-G187 VanDerWaalsContact O-CA 3.32Å; F159-G187 WeakPolarHBondContact O-CA 3.41Å; F159-G187 PolarHBondContact O-N 3.47Å; F159-F250 HydrophobicContact CD2-CE2 4.05Å; F159-F250 HydrophobicContact CD2-CZ 4.44Å; F159-F250 HydrophobicContact CE1-CE2 4.31Å; F159-F250 HydrophobicContact CE2-CD2 4.22Å; F159-F250 AromaticContact CE2-CE2 3.36Å; F159-F250 HydrophobicContact CE2-CE2 3.36Å; F159-F250 AromaticContact CE2-CZ 3.66Å; F159-F250 HydrophobicContact CE2-CZ 3.66Å; F159-F250 AromaticContact CZ-CD2 3.91Å; F159-F250 HydrophobicContact CZ-CD2 3.91Å; F159-F250 AromaticContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CZ 4.14Å; F159-C253 HydrophobicContact CE1-CB 4.11Å; F159-C253 HydrophobicContact CZ-CB 4.06Å; F159-V254 HydrophobicContact CE2-CG2 3.72Å; F159-V254 HydrophobicContact CZ-CG2 3.83Å; F159-L259 HydrophobicContact CD1-CD1 4.28Å; F159-L259 HydrophobicContact CE1-CD1 4.19Å |
| 160 | D | 95.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 128.4 | 173.5 | -169.3 | 71.8 | 0 | 0 | 0 | 110.6 | P156 K157 C162 | P156-D160 HydrophobicContact CB-CB 3.75Å; K157-D160 VanDerWaalsContact O-CB 3.28Å; K157-D160 WeakPolarHBondContact O-CB 3.36Å; K157-D160 PolarHBondContact O-N 3.18Å; D160-C162 VanDerWaalsContact C-N 3.29Å; D160-C162 PolarHBondContact O-N 3.48Å |
| 161 | G | 91.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 1.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F159 T206 T221 | F159-G161 PolarHBondContact O-N 3.1Å; G161-T206 PolarHBondContact O-OG1 2.87Å; G161-T206 VanDerWaalsContact O-OG1 3.14Å; G161-T221 WeakPolarHBondContact O-CB 3.37Å; G161-T221 PolarHBondContact O-OG1 3.26Å |
| 162 | C | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | trans | -100.5 | 145.5 | -180 | -62.1 | 0 | 0 | 0 | 0 | 113.4 | F159 D160 F164 G187 Q188 T221 Y223 | F159-C162 HydrophobicContact CB-CB 4.2Å; F159-C162 WeakPolarHBondContact O-CB 3.28Å; F159-C162 PolarHBondContact O-N 3.2Å; D160-C162 VanDerWaalsContact C-N 3.29Å; D160-C162 PolarHBondContact O-N 3.48Å; C162-F164 HydrophobicContact CB-CE2 3.56Å; C162-F164 HydrophobicContact CB-CZ 3.88Å; C162-G187 WeakPolarHBondContact O-CA 3.32Å; C162-Q188 PolarHBondContact O-N 3.01Å; C162-T221 CarbonylContact C-O 3.57Å; C162-T221 WeakPolarHBondContact CA-O 3.33Å; C162-Y223 HydrophobicContact CB-CD2 4.41Å; C162-Y223 HydrophobicContact CB-CE2 4.05Å | ||
| 163 | Y | 95.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | -178.5 | -64.8 | -96.8 | 0 | 0 | 0 | 111 | Q188 L190 I204 T206 T221 Q222 Y223 | Y163-Q188 CarbonylContact C-O 3.58Å; Y163-Q188 WeakPolarHBondContact CA-O 3.28Å; Y163-Q188 HydrophobicContact CD1-CB 3.82Å; Y163-Q188 HydrophobicContact CE1-CB 4.02Å; Y163-Q188 HydrophobicContact CE1-CG 4.44Å; Y163-Q188 PolarHBondContact OH-OE1 3.08Å; Y163-L190 HydrophobicContact CD1-CD2 3.83Å; Y163-L190 HydrophobicContact CD1-CG 4.44Å; Y163-I204 HydrophobicContact CD2-CG2 4.36Å; Y163-I204 HydrophobicContact CE2-CG2 3.79Å; Y163-T206 HydrophobicContact CE2-CG2 4.06Å; Y163-T221 PolarHBondContact N-O 3.24Å; Y163-Q222 HydrophobicContact CD2-CG 4.37Å; Y163-Q222 HydrophobicContact CG-CG 4.43Å; Y163-Q222 CarbonylContact O-C 3.53Å; Y163-Q222 WeakPolarHBondContact O-CA 3.39Å; Y163-Y223 PolarHBondContact O-N 3.02Å |
| 164 | F | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.7 | -174.2 | -62.2 | -91.9 | 0 | 0 | 0 | 111.4 | F159 C162 V182 Q188 I189 L190 Y223 I225 W249 F250 | F159-F164 HydrophobicContact CB-CE2 3.92Å; F159-F164 HydrophobicContact CB-CZ 4.19Å; F159-F164 HydrophobicContact CD1-CE2 4.32Å; F159-F164 AromaticContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD2-CZ 4.44Å; F159-F164 HydrophobicContact CE1-CZ 4.17Å; F159-F164 HydrophobicContact CG-CE2 4.04Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; C162-F164 HydrophobicContact CB-CE2 3.56Å; C162-F164 HydrophobicContact CB-CZ 3.88Å; F164-V182 HydrophobicContact CB-CG1 4.3Å; F164-V182 HydrophobicContact CB-CG2 4.06Å; F164-V182 HydrophobicContact CD1-CG2 4.37Å; F164-V182 HydrophobicContact CD2-CB 4.4Å; F164-V182 HydrophobicContact CD2-CG1 3.56Å; F164-V182 HydrophobicContact CD2-CG2 3.93Å; F164-V182 HydrophobicContact CE2-CG1 4.23Å; F164-V182 HydrophobicContact CG-CG1 4.17Å; F164-V182 HydrophobicContact CG-CG2 3.85Å; F164-Q188 PolarHBondContact N-O 3.39Å; F164-I189 HydrophobicContact CB-CD1 4.23Å; F164-I189 CarbonylContact O-C 3.58Å; F164-I189 WeakPolarHBondContact O-CA 3.29Å; F164-L190 PolarHBondContact O-N 2.91Å; F164-Y223 CarbonylContact C-O 3.56Å; F164-Y223 WeakPolarHBondContact CA-O 3.19Å; F164-Y223 HydrophobicContact CD1-CD2 4.34Å; F164-Y223 HydrophobicContact CD1-CG 4.33Å; F164-Y223 AromaticContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CG 4.03Å; F164-Y223 HydrophobicContact CZ-CD2 4.1Å; F164-I225 HydrophobicContact CD1-CD1 4.02Å; F164-I225 HydrophobicContact CD1-CG1 3.89Å; F164-I225 HydrophobicContact CE1-CD1 4.42Å; F164-W249 HydrophobicContact CE1-CH2 4.41Å; F164-W249 HydrophobicContact CE1-CZ3 4.18Å; F164-F250 HydrophobicContact CD1-CD2 4.18Å; F164-F250 HydrophobicContact CD1-CE2 4.26Å; F164-F250 AromaticContact CE1-CD2 3.75Å; F164-F250 HydrophobicContact CE1-CD2 3.75Å; F164-F250 AromaticContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CZ-CD2 4.36Å; F164-F250 HydrophobicContact CZ-CE2 4.14Å |
| 165 | Y | 96.4 | Very high | 93 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.9 | 168.5 | 177 | -106.3 | 0 | 0 | 0 | 109.3 | W167 L190 R192 K193 Y223 I224 I225 | Y165-W167 HydrophobicContact CD1-CB 3.95Å; Y165-W167 HydrophobicContact CE1-CB 3.65Å; Y165-W167 AromaticContact CE1-CD1 3.72Å; Y165-W167 HydrophobicContact CE1-CG 4.02Å; Y165-W167 PolarHBondContact O-N 3.23Å; Y165-L190 HydrophobicContact CD2-CB 4.38Å; Y165-L190 WeakPolarHBondContact CD2-O 3.49Å; Y165-R192 VanDerWaalsContact CD2-C 3.48Å; Y165-R192 WeakPolarHBondContact CD2-O 3.48Å; Y165-R192 VanDerWaalsContact CE2-C 3.49Å; Y165-K193 HydrophobicContact CD1-CB 4.09Å; Y165-K193 HydrophobicContact CD1-CG 4.02Å; Y165-K193 HydrophobicContact CE1-CB 3.6Å; Y165-K193 HydrophobicContact CE1-CD 4.29Å; Y165-K193 HydrophobicContact CE1-CG 3.76Å; Y165-K193 HydrophobicContact CE2-CB 4.21Å; Y165-K193 VanDerWaalsContact CE2-N 3.33Å; Y165-Y223 PolarHBondContact N-O 2.94Å; Y165-I224 HydrophobicContact CD1-CG1 4.23Å; Y165-I224 HydrophobicContact CD1-CG2 4.13Å; Y165-I224 CarbonylContact O-C 3.5Å; Y165-I224 WeakPolarHBondContact O-CA 3.48Å; Y165-I225 PolarHBondContact O-N 3.39Å |
| 166 | L | 95.8 | Very high | 93 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.9 | 178.8 | -55.7 | -176.3 | 0 | 0 | 0 | 109.7 | F170 K175 L178 I179 I189 I225 | L166-F170 HydrophobicContact CB-CE2 3.82Å; L166-F170 HydrophobicContact CB-CZ 3.98Å; L166-F170 HydrophobicContact CD2-CZ 4.45Å; L166-K175 HydrophobicContact CB-CG 4.41Å; L166-K175 HydrophobicContact CD1-CG 3.62Å; L166-L178 HydrophobicContact CD1-CB 3.86Å; L166-L178 HydrophobicContact CD2-CB 4.29Å; L166-L178 HydrophobicContact CD2-CD1 4.26Å; L166-I179 HydrophobicContact CD1-CD1 4.41Å; L166-I179 HydrophobicContact CD1-CG1 3.7Å; L166-I189 HydrophobicContact CD1-CD1 4.39Å; L166-I189 HydrophobicContact CG-CD1 4.41Å; L166-I225 HydrophobicContact CD2-CB 3.77Å; L166-I225 HydrophobicContact CD2-CG1 4.05Å; L166-I225 HydrophobicContact CD2-CG2 4.25Å |
| 167 | W | 93.3 | Very high | 92.9 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | trans | -99.1 | 130.1 | -173.8 | -176.7 | 60.2 | 0 | 0 | 0 | 112.3 | Y165 I224 I225 Y232 | Y165-W167 HydrophobicContact CD1-CB 3.95Å; Y165-W167 HydrophobicContact CE1-CB 3.65Å; Y165-W167 AromaticContact CE1-CD1 3.72Å; Y165-W167 HydrophobicContact CE1-CG 4.02Å; Y165-W167 PolarHBondContact O-N 3.23Å; W167-I224 HydrophobicContact CB-CG2 3.72Å; W167-I224 HydrophobicContact CG-CG2 4.33Å; W167-I225 PolarHBondContact N-O 3.06Å; W167-Y232 HydrophobicContact CH2-CD2 4.24Å; W167-Y232 AromaticContact CH2-CE2 3.97Å; W167-Y232 HydrophobicContact CH2-CE2 3.97Å; W167-Y232 AromaticContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD2 4.18Å; W167-Y232 AromaticContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE2 4.05Å; W167-Y232 HydrophobicContact CZ3-CG 4.15Å; W167-Y232 AromaticContact CZ3-CZ 3.87Å | ||
| 168 | G | 88.6 | Confident | 92.8 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 88 | -160 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 169 | T | 86.9 | Confident | 92.8 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 64% | 0.638 | 30% | 0.298 | S | S | * | . | trans | -97.6 | 143.8 | 177.7 | 49.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 170 | F | 89 | Confident | 92.8 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -124.5 | 113.4 | -178.8 | -69 | -95.9 | 0 | 0 | 0 | 109.5 | L166 H173 K175 L178 I225 E227 | L166-F170 HydrophobicContact CB-CE2 3.82Å; L166-F170 HydrophobicContact CB-CZ 3.98Å; L166-F170 HydrophobicContact CD2-CZ 4.45Å; F170-H173 VanDerWaalsContact CB-O 3.24Å; F170-H173 WeakPolarHBondContact CB-O 3.16Å; F170-K175 HydrophobicContact CD2-CB 4.32Å; F170-K175 HydrophobicContact CD2-CG 4.41Å; F170-L178 HydrophobicContact CD1-CD1 3.54Å; F170-L178 HydrophobicContact CE1-CD1 3.49Å; F170-L178 VanDerWaalsContact CE1-CD1 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.3Å; F170-L178 HydrophobicContact CZ-CD1 4.23Å; F170-I225 HydrophobicContact CE1-CG2 4.25Å; F170-I225 HydrophobicContact CZ-CG2 4.44Å; F170-E227 HydrophobicContact CD1-CB 4.2Å; F170-E227 HydrophobicContact CE1-CB 4.47Å | ||
| 171 | K | 85.6 | Confident | 92.9 | Very high | 184 Ų | 184 | 63.6 Ų | 63.6 | 80% | 0.8 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -101.9 | -45.4 | 179.1 | -65.3 | -175.9 | 179.2 | -179.5 | 0 | 112.3 | E227 | K171-E227 PolarHBondContact N-OE1 3.13Å; K171-E227 PolarHBondContact N-OE2 3.31Å |
| 172 | H | 84.4 | Confident | 93.2 | Very high | 124 Ų | 124 | 62.9 Ų | 62.9 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -82.2 | -40.4 | -176.8 | -171.4 | -94 | 0 | 0 | 0 | 111.8 | P174 E227 L229 | H172-P174 WeakPolarHBondContact O-CD 3.46Å; H172-E227 PolarHBondContact N-OE1 2.83Å; H172-L229 HydrophobicContact CB-CD1 4.23Å |
| 173 | H | 87.8 | Confident | 93.3 | Very high | 37 Ų | 37 | 67 Ų | 67 | 17% | 0.171 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -113.6 | 87.3 | 176.9 | -61.9 | 136.5 | 0 | 0 | 0 | 110.4 | F170 K175 L178 E227 S247 | F170-H173 VanDerWaalsContact CB-O 3.24Å; F170-H173 WeakPolarHBondContact CB-O 3.16Å; H173-K175 PolarHBondContact O-N 3.22Å; H173-L178 HydrophobicContact CB-CD1 4.19Å; H173-L178 HydrophobicContact CB-CD2 4.19Å; H173-L178 HydrophobicContact CB-CG 4.3Å; H173-E227 PolarHBondContact N-OE1 3.14Å; H173-S247 WeakPolarHBondContact ND1-CB 3.48Å; H173-S247 PolarHBondContact ND1-OG 3.2Å |
| 174 | P | 91.7 | Very high | 93.3 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | trans | -48.9 | 131.4 | -174.3 | -28.9 | 34.3 | 0 | 0 | 0 | 112.6 | H172 D176 N177 L178 | H172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-D176 PolarHBondContact O-N 3.33Å; P174-D176 VanDerWaalsContact O-N 3.13Å; P174-N177 WeakPolarHBondContact O-CB 3.46Å; P174-N177 PolarHBondContact O-N 3.46Å; P174-L178 PolarHBondContact O-N 3.17Å | ||
| 175 | K | 93.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 69 Ų | 69 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.2 | -39.8 | -173.9 | -169.8 | 178.1 | 178.7 | 170.8 | 0 | 112.8 | L166 F170 H173 N177 L178 I179 | L166-K175 HydrophobicContact CB-CG 4.41Å; L166-K175 HydrophobicContact CD1-CG 3.62Å; F170-K175 HydrophobicContact CD2-CB 4.32Å; F170-K175 HydrophobicContact CD2-CG 4.41Å; H173-K175 PolarHBondContact O-N 3.22Å; K175-N177 VanDerWaalsContact C-N 3.3Å; K175-N177 PolarHBondContact O-N 3.15Å; K175-L178 PolarHBondContact O-N 3.06Å; K175-I179 HydrophobicContact CG-CD1 4.17Å; K175-I179 WeakPolarHBondContact O-CG1 3.28Å; K175-I179 PolarHBondContact O-N 2.84Å |
| 176 | D | 94.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 67.9 Ų | 67.9 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.1 | -34.2 | 178.8 | -64.9 | -21.2 | 0 | 0 | 0 | 112.8 | P174 K180 | P174-D176 PolarHBondContact O-N 3.33Å; P174-D176 VanDerWaalsContact O-N 3.13Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.05Å |
| 177 | N | 95.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 175.4 | -69.3 | -4 | 0 | 0 | 0 | 110.5 | P174 K175 I179 K180 L181 | P174-N177 WeakPolarHBondContact O-CB 3.46Å; P174-N177 PolarHBondContact O-N 3.46Å; K175-N177 VanDerWaalsContact C-N 3.3Å; K175-N177 PolarHBondContact O-N 3.15Å; N177-I179 VanDerWaalsContact C-N 3.35Å; N177-I179 PolarHBondContact O-N 3.46Å; N177-K180 PolarHBondContact O-N 3.14Å; N177-L181 WeakPolarHBondContact O-CB 3.49Å; N177-L181 VanDerWaalsContact O-CG 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.39Å; N177-L181 PolarHBondContact O-N 3.4Å |
| 178 | L | 95.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.2 | -63.5 | 178.2 | 0 | 0 | 0 | 111.5 | L166 F170 H173 P174 K175 K180 L181 V182 F250 I251 | L166-L178 HydrophobicContact CD1-CB 3.86Å; L166-L178 HydrophobicContact CD2-CB 4.29Å; L166-L178 HydrophobicContact CD2-CD1 4.26Å; F170-L178 HydrophobicContact CD1-CD1 3.54Å; F170-L178 HydrophobicContact CE1-CD1 3.49Å; F170-L178 VanDerWaalsContact CE1-CD1 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.3Å; F170-L178 HydrophobicContact CZ-CD1 4.23Å; H173-L178 HydrophobicContact CB-CD1 4.19Å; H173-L178 HydrophobicContact CB-CD2 4.19Å; H173-L178 HydrophobicContact CB-CG 4.3Å; P174-L178 PolarHBondContact O-N 3.17Å; K175-L178 PolarHBondContact O-N 3.06Å; L178-K180 VanDerWaalsContact C-N 3.35Å; L178-K180 PolarHBondContact O-N 3.02Å; L178-L181 PolarHBondContact O-N 3.1Å; L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 2.87Å; L178-F250 HydrophobicContact CD2-CD1 3.79Å; L178-F250 HydrophobicContact CD2-CE1 3.97Å; L178-I251 HydrophobicContact CD2-CD1 4.17Å |
| 179 | I | 96.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 175.6 | -69.6 | 167.8 | 0 | 0 | 0 | 111.2 | L166 K175 N177 L181 V182 T183 I189 | L166-I179 HydrophobicContact CD1-CD1 4.41Å; L166-I179 HydrophobicContact CD1-CG1 3.7Å; K175-I179 HydrophobicContact CG-CD1 4.17Å; K175-I179 WeakPolarHBondContact O-CG1 3.28Å; K175-I179 PolarHBondContact O-N 2.84Å; N177-I179 VanDerWaalsContact C-N 3.35Å; N177-I179 PolarHBondContact O-N 3.46Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.35Å; I179-V182 PolarHBondContact O-N 3.4Å; I179-T183 WeakPolarHBondContact O-CB 3.1Å; I179-T183 PolarHBondContact O-N 3.14Å; I179-T183 PolarHBondContact O-OG1 3.12Å; I179-I189 HydrophobicContact CG1-CD1 4.13Å; I179-I189 HydrophobicContact CG1-CG1 4.35Å; I179-I189 HydrophobicContact CG2-CG1 4.32Å |
| 180 | K | 97.6 | Very high | 94.2 | Very high | 139 Ų | 139 | 66.5 Ų | 66.5 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 176.8 | -73.2 | 169.8 | -175.1 | 174 | 0 | 111.6 | D176 N177 L178 T183 A184 | D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.05Å; N177-K180 PolarHBondContact O-N 3.14Å; L178-K180 VanDerWaalsContact C-N 3.35Å; L178-K180 PolarHBondContact O-N 3.02Å; K180-T183 PolarHBondContact O-N 2.94Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 3.37Å |
| 181 | L | 97.8 | Very high | 94.2 | Very high | 59 Ų | 59 | 70.6 Ų | 70.6 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.9 | -72.3 | 172.4 | 0 | 0 | 0 | 112.1 | N177 L178 I179 T183 A184 G185 F250 I251 V254 | N177-L181 WeakPolarHBondContact O-CB 3.49Å; N177-L181 VanDerWaalsContact O-CG 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.39Å; N177-L181 PolarHBondContact O-N 3.4Å; L178-L181 PolarHBondContact O-N 3.1Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.35Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 2.89Å; L181-A184 PolarHBondContact O-N 3.38Å; L181-G185 PolarHBondContact O-N 3.35Å; L181-F250 HydrophobicContact CB-CE1 3.7Å; L181-F250 HydrophobicContact CB-CZ 3.84Å; L181-F250 HydrophobicContact CD1-CE1 3.97Å; L181-I251 HydrophobicContact CD1-CD1 3.88Å; L181-V254 HydrophobicContact CD2-CG1 4.36Å |
| 182 | V | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | F164 L178 I179 A184 G185 G186 G187 I189 F250 | F164-V182 HydrophobicContact CB-CG1 4.3Å; F164-V182 HydrophobicContact CB-CG2 4.06Å; F164-V182 HydrophobicContact CD1-CG2 4.37Å; F164-V182 HydrophobicContact CD2-CB 4.4Å; F164-V182 HydrophobicContact CD2-CG1 3.56Å; F164-V182 HydrophobicContact CD2-CG2 3.93Å; F164-V182 HydrophobicContact CE2-CG1 4.23Å; F164-V182 HydrophobicContact CG-CG1 4.17Å; F164-V182 HydrophobicContact CG-CG2 3.85Å; L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 2.87Å; I179-V182 PolarHBondContact O-N 3.4Å; V182-A184 PolarHBondContact O-N 3.37Å; V182-G185 CarbonylContact O-C 3.53Å; V182-G185 PolarHBondContact O-N 3.45Å; V182-G186 PolarHBondContact O-N 2.87Å; V182-G186 VanDerWaalsContact O-N 3.15Å; V182-G187 VanDerWaalsContact CG1-C 3.49Å; V182-G187 WeakPolarHBondContact CG1-O 3.34Å; V182-G187 PolarHBondContact O-N 3.46Å; V182-I189 HydrophobicContact CB-CD1 3.8Å; V182-I189 HydrophobicContact CB-CG1 4.28Å; V182-I189 HydrophobicContact CG1-CD1 3.68Å; V182-I189 HydrophobicContact CG1-CG1 3.9Å; V182-I189 HydrophobicContact CG2-CD1 3.89Å; V182-F250 HydrophobicContact CB-CZ 4.49Å; V182-F250 HydrophobicContact CG2-CE2 3.61Å; V182-F250 HydrophobicContact CG2-CZ 3.54Å |
| 183 | T | 97.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | -178.5 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | I179 K180 L181 G185 G186 | I179-T183 WeakPolarHBondContact O-CB 3.1Å; I179-T183 PolarHBondContact O-N 3.14Å; I179-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 PolarHBondContact O-N 2.94Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 2.89Å; T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.82Å; T183-G186 PolarHBondContact O-N 3.33Å |
| 184 | A | 97 | Very high | 94.8 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K157 K180 L181 V182 G186 | K157-A184 WeakPolarHBondContact CD-O 3.41Å; K157-A184 PolarHBondContact NZ-O 3.43Å; K157-A184 VanDerWaalsContact NZ-O 3.12Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 3.37Å; L181-A184 PolarHBondContact O-N 3.38Å; V182-A184 PolarHBondContact O-N 3.37Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å |
| 185 | G | 96.6 | Very high | 94.4 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K157 L158 F159 L181 V182 T183 | K157-G185 WeakPolarHBondContact CB-O 3.49Å; L158-G185 PolarHBondContact N-O 3.44Å; F159-G185 WeakPolarHBondContact CA-O 3.49Å; F159-G185 WeakPolarHBondContact CB-O 3.48Å; F159-G185 PolarHBondContact N-O 3.15Å; L181-G185 PolarHBondContact O-N 3.35Å; V182-G185 CarbonylContact O-C 3.53Å; V182-G185 PolarHBondContact O-N 3.45Å; T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.82Å |
| 186 | G | 96.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 5.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F159 V182 T183 A184 | F159-G186 CarbonylContact O-C 3.59Å; V182-G186 PolarHBondContact O-N 2.87Å; V182-G186 VanDerWaalsContact O-N 3.15Å; T183-G186 PolarHBondContact O-N 3.33Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å |
| 187 | G | 96.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 71.6 Ų | 71.6 | 9% | 0.093 | 38% | 0.379 | C | S | . | . | trans | -82.3 | 162.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F159 C162 V182 | F159-G187 VanDerWaalsContact O-CA 3.32Å; F159-G187 WeakPolarHBondContact O-CA 3.41Å; F159-G187 PolarHBondContact O-N 3.47Å; C162-G187 WeakPolarHBondContact O-CA 3.32Å; V182-G187 VanDerWaalsContact CG1-C 3.49Å; V182-G187 WeakPolarHBondContact CG1-O 3.34Å; V182-G187 PolarHBondContact O-N 3.46Å | ||
| 188 | Q | 95.4 | Very high | 91.2 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.7 | -179.9 | -64 | -168.4 | -28.1 | 0 | 0 | 111.7 | C162 Y163 F164 | C162-Q188 PolarHBondContact O-N 3.01Å; Y163-Q188 CarbonylContact C-O 3.58Å; Y163-Q188 WeakPolarHBondContact CA-O 3.28Å; Y163-Q188 HydrophobicContact CD1-CB 3.82Å; Y163-Q188 HydrophobicContact CE1-CB 4.02Å; Y163-Q188 HydrophobicContact CE1-CG 4.44Å; Y163-Q188 PolarHBondContact OH-OE1 3.08Å; F164-Q188 PolarHBondContact N-O 3.39Å |
| 189 | I | 96.6 | Very high | 89.6 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 34% | 0.338 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127 | 175.7 | -65.8 | -70.7 | 0 | 0 | 0 | 110.3 | F164 L166 I179 V182 | F164-I189 HydrophobicContact CB-CD1 4.23Å; F164-I189 CarbonylContact O-C 3.58Å; F164-I189 WeakPolarHBondContact O-CA 3.29Å; L166-I189 HydrophobicContact CD1-CD1 4.39Å; L166-I189 HydrophobicContact CG-CD1 4.41Å; I179-I189 HydrophobicContact CG1-CD1 4.13Å; I179-I189 HydrophobicContact CG1-CG1 4.35Å; I179-I189 HydrophobicContact CG2-CG1 4.32Å; V182-I189 HydrophobicContact CB-CD1 3.8Å; V182-I189 HydrophobicContact CB-CG1 4.28Å; V182-I189 HydrophobicContact CG1-CD1 3.68Å; V182-I189 HydrophobicContact CG1-CG1 3.9Å; V182-I189 HydrophobicContact CG2-CD1 3.89Å |
| 190 | L | 93.8 | Very high | 88.3 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 22% | 0.22 | 42% | 0.417 | C | S | . | . | trans | -87.6 | 128.1 | 171.7 | -62.8 | 177.8 | 0 | 0 | 0 | 110.1 | Y163 F164 Y165 P194 | Y163-L190 HydrophobicContact CD1-CD2 3.83Å; Y163-L190 HydrophobicContact CD1-CG 4.44Å; F164-L190 PolarHBondContact O-N 2.91Å; Y165-L190 HydrophobicContact CD2-CB 4.38Å; Y165-L190 WeakPolarHBondContact CD2-O 3.49Å; L190-P194 HydrophobicContact CD1-CB 4.13Å; L190-P194 HydrophobicContact CD1-CG 3.99Å | ||
| 191 | S | 90.9 | Very high | 86.7 | Confident | 114 Ų | 114 | 71.2 Ų | 71.2 | 80% | 0.797 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -78.5 | -22.6 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||
| 192 | R | 90.4 | Very high | 85.2 | Confident | 208 Ų | 208 | 73.4 Ų | 73.4 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -122.1 | 147.7 | -179.2 | -62.4 | -177.6 | -178.3 | -174.5 | 0.4 | 110.1 | Y165 | Y165-R192 VanDerWaalsContact CD2-C 3.48Å; Y165-R192 WeakPolarHBondContact CD2-O 3.48Å; Y165-R192 VanDerWaalsContact CE2-C 3.49Å |
| 193 | K | 90.9 | Very high | 83.6 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 45% | 0.452 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 125.1 | 177 | -173.1 | 175.8 | 179.5 | 177.7 | 0 | 109.5 | Y165 K195 I224 | Y165-K193 HydrophobicContact CD1-CB 4.09Å; Y165-K193 HydrophobicContact CD1-CG 4.02Å; Y165-K193 HydrophobicContact CE1-CB 3.6Å; Y165-K193 HydrophobicContact CE1-CD 4.29Å; Y165-K193 HydrophobicContact CE1-CG 3.76Å; Y165-K193 HydrophobicContact CE2-CB 4.21Å; Y165-K193 VanDerWaalsContact CE2-N 3.33Å; K193-K195 PolarHBondContact O-N 3.3Å; K193-I224 HydrophobicContact CG-CD1 4.2Å |
| 194 | P | 88 | Confident | 82.3 | Confident | 11 Ų | 11 | 75.7 Ų | 75.7 | 7% | 0.071 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 135 | 176.1 | 26 | -32.1 | 0 | 0 | 0 | 109.7 | L190 T201 I224 V242 | L190-P194 HydrophobicContact CD1-CB 4.13Å; L190-P194 HydrophobicContact CD1-CG 3.99Å; P194-T201 HydrophobicContact CB-CG2 3.89Å; P194-I224 HydrophobicContact CG-CD1 4.16Å; P194-I224 HydrophobicContact CG-CG1 3.93Å; P194-V242 HydrophobicContact CB-CG1 4.46Å; P194-V242 HydrophobicContact CB-CG2 4.06Å; P194-V242 HydrophobicContact CG-CG1 3.83Å; P194-V242 HydrophobicContact CG-CG2 4.33Å |
| 195 | K | 83.9 | Confident | 81.1 | Confident | 139 Ų | 139 | 79.2 Ų | 79.2 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 118.9 | 177.6 | -70.6 | -171.6 | -178.3 | -175.9 | 0 | 108 | K193 D197 S198 T201 | K193-K195 PolarHBondContact O-N 3.3Å; K195-D197 WeakPolarHBondContact CB-OD1 3.25Å; K195-D197 PolarHBondContact O-N 3.44Å; K195-D197 VanDerWaalsContact O-N 3.11Å; K195-S198 PolarHBondContact O-N 3.04Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.07Å; K195-T201 VanDerWaalsContact O-CG2 3.24Å; K195-T201 WeakPolarHBondContact O-CG2 3.47Å; K195-T201 PolarHBondContact O-OG1 3.09Å |
| 196 | P | 73.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 31% | 0.312 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.2 | -171.7 | 26.2 | -34.5 | 0 | 0 | 0 | 114 | Q202 Q239 | P196-Q202 PolarHBondContact O-NE2 3.49Å; P196-Q239 HydrophobicContact CB-CB 4.42Å; P196-Q239 HydrophobicContact CB-CG 3.9Å; P196-Q239 WeakPolarHBondContact CB-O 3.33Å; P196-Q239 HydrophobicContact CG-CG 3.79Å |
| 197 | D | 69.3 | Low | 80 | Confident | 123 Ų | 123 | 83 Ų | 83 | 66% | 0.658 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.4 | -179.5 | 57.3 | -35 | 0 | 0 | 0 | 113.8 | K195 | K195-D197 WeakPolarHBondContact CB-OD1 3.25Å; K195-D197 PolarHBondContact O-N 3.44Å; K195-D197 VanDerWaalsContact O-N 3.11Å |
| 198 | S | 74.1 | Confident | 79.7 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -86.5 | 140.4 | -179 | 79.7 | 0 | 0 | 0 | 0 | 113 | K195 V200 T201 Q202 | K195-S198 PolarHBondContact O-N 3.04Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.07Å; S198-V200 PolarHBondContact O-N 2.83Å; S198-V200 VanDerWaalsContact O-N 3.11Å; S198-T201 PolarHBondContact O-N 3.42Å; S198-T201 PolarHBondContact O-OG1 2.75Å; S198-T201 WeakPolarHBondContact OG-CG2 3.26Å; S198-T201 PolarHBondContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 3.47Å; S198-Q202 WeakPolarHBondContact O-CG 3.42Å; S198-Q202 PolarHBondContact O-N 3.22Å; S198-Q202 VanDerWaalsContact O-N 3.13Å |
| 199 | D | 61.4 | Low | 79.5 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -52.4 | -36.1 | 175.6 | -63.1 | -29.1 | 0 | 0 | 0 | 112.3 | T201 Q202 T203 | D199-T201 PolarHBondContact O-N 3.42Å; D199-Q202 PolarHBondContact O-N 3.26Å; D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 WeakPolarHBondContact O-CG2 3.49Å; D199-T203 PolarHBondContact O-N 3.38Å; D199-T203 PolarHBondContact O-OG1 3.44Å |
| 200 | V | 69 | Low | 79.4 | Confident | 108 Ų | 108 | 81.7 Ų | 81.7 | 66% | 0.655 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | S198 T203 I204 | S198-V200 PolarHBondContact O-N 2.83Å; S198-V200 VanDerWaalsContact O-N 3.11Å; V200-T203 PolarHBondContact O-OG1 3Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å |
| 201 | T | 65.4 | Low | 79.4 | Confident | 8 Ų | 8 | 80.1 Ų | 80.1 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.4 | -26.9 | 178.5 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | P194 K195 S198 D199 Q222 | P194-T201 HydrophobicContact CB-CG2 3.89Å; K195-T201 VanDerWaalsContact O-CG2 3.24Å; K195-T201 WeakPolarHBondContact O-CG2 3.47Å; K195-T201 PolarHBondContact O-OG1 3.09Å; S198-T201 PolarHBondContact O-N 3.42Å; S198-T201 PolarHBondContact O-OG1 2.75Å; S198-T201 WeakPolarHBondContact OG-CG2 3.26Å; S198-T201 PolarHBondContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 3.47Å; D199-T201 PolarHBondContact O-N 3.42Å; T201-Q222 VanDerWaalsContact CG2-OE1 3.22Å; T201-Q222 PolarHBondContact O-NE2 3.47Å; T201-Q222 VanDerWaalsContact O-NE2 3.11Å |
| 202 | Q | 65.3 | Low | 79.3 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80.7 | -32.9 | -179.7 | -66.2 | -179 | 10.5 | 0 | 0 | 112.3 | P196 S198 D199 I204 K241 | P196-Q202 PolarHBondContact O-NE2 3.49Å; S198-Q202 WeakPolarHBondContact O-CG 3.42Å; S198-Q202 PolarHBondContact O-N 3.22Å; S198-Q202 VanDerWaalsContact O-N 3.13Å; D199-Q202 PolarHBondContact O-N 3.26Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-K241 PolarHBondContact O-NZ 2.98Å |
| 203 | T | 64.3 | Low | 79.1 | Confident | 105 Ų | 105 | 75.2 Ų | 75.2 | 64% | 0.644 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -76.5 | -13.8 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | D199 V200 N205 | D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 WeakPolarHBondContact O-CG2 3.49Å; D199-T203 PolarHBondContact O-N 3.38Å; D199-T203 PolarHBondContact O-OG1 3.44Å; V200-T203 PolarHBondContact O-OG1 3Å; T203-N205 PolarHBondContact O-N 2.88Å |
| 204 | I | 69.4 | Low | 78.9 | Confident | 31 Ų | 31 | 77 Ų | 77 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | trans | -63.4 | 111.7 | 170.8 | -69.2 | 166.6 | 0 | 0 | 0 | 108.6 | Y163 V200 Q202 T206 Q222 K241 | Y163-I204 HydrophobicContact CD2-CG2 4.36Å; Y163-I204 HydrophobicContact CE2-CG2 3.79Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; I204-T206 HydrophobicContact CG2-CG2 4.28Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.48Å; I204-Q222 HydrophobicContact CD1-CG 4.41Å; I204-K241 PolarHBondContact O-NZ 3.09Å | ||
| 205 | N | 72.5 | Confident | 79.1 | Confident | 140 Ų | 140 | 77.2 Ų | 77.2 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | trans | -113.7 | 25.9 | 179.9 | -159.5 | 29.1 | 0 | 0 | 0 | 112.1 | T203 | T203-N205 PolarHBondContact O-N 2.88Š| ||
| 206 | T | 80.3 | Confident | 79.4 | Confident | 40 Ų | 40 | 74 Ų | 74 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -73.3 | 142.9 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 110 | G161 Y163 I204 T221 | G161-T206 PolarHBondContact O-OG1 2.87Å; G161-T206 VanDerWaalsContact O-OG1 3.14Å; Y163-T206 HydrophobicContact CE2-CG2 4.06Å; I204-T206 HydrophobicContact CG2-CG2 4.28Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.48Å; T206-T221 WeakPolarHBondContact O-CG2 3.36Å; T206-T221 PolarHBondContact OG1-OG1 3.05Å; T206-T221 VanDerWaalsContact OG1-OG1 3.13Å | ||
| 207 | V | 88.8 | Confident | 80.3 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | trans | -108.3 | 138.3 | 174.6 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | Y209 R218 F219 | V207-Y209 PolarHBondContact O-N 3.09Å; V207-R218 VanDerWaalsContact CA-O 3.25Å; V207-R218 WeakPolarHBondContact CA-O 3.26Å; V207-F219 HydrophobicContact CG1-CD1 3.84Å; V207-F219 HydrophobicContact CG1-CE1 3.76Å | ||
| 208 | A | 91.6 | Very high | 81.2 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | trans | -83.8 | 110.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | H210 A211 R218 T221 L259 | A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.24Å; A208-A211 HydrophobicContact CB-CB 3.93Å; A208-A211 WeakPolarHBondContact O-CB 3.44Å; A208-A211 PolarHBondContact O-N 2.73Å; A208-R218 PolarHBondContact N-O 3.01Å; A208-R218 VanDerWaalsContact N-O 3.07Å; A208-T221 HydrophobicContact CB-CG2 3.84Å; A208-L259 HydrophobicContact CB-CD2 3.96Å | ||
| 209 | Y | 90.9 | Very high | 81.9 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39 | -176.5 | 178.7 | -92.6 | 0 | 0 | 0 | 112.9 | L155 P156 V207 A211 | L155-Y209 HydrophobicContact CB-CE1 4.48Å; P156-Y209 HydrophobicContact CB-CD1 4.24Å; P156-Y209 HydrophobicContact CB-CG 3.99Å; P156-Y209 HydrophobicContact CG-CD1 4.18Å; P156-Y209 HydrophobicContact CG-CD2 3.81Å; P156-Y209 HydrophobicContact CG-CE2 4.31Å; P156-Y209 HydrophobicContact CG-CG 3.74Å; V207-Y209 PolarHBondContact O-N 3.09Å; Y209-A211 VanDerWaalsContact C-N 3.32Å |
| 210 | H | 94 | Very high | 83.2 | Confident | 37 Ų | 37 | 69 Ų | 69 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.5 | -177.5 | -69.6 | -84.5 | 0 | 0 | 0 | 114 | N150 P156 K157 L158 A208 F257 L259 | N150-H210 PolarHBondContact ND2-CE1 3.47Å; N150-H210 VanDerWaalsContact ND2-CE1 3.32Å; P156-H210 PolarHBondContact O-NE2 3.1Å; K157-H210 PolarHBondContact O-CD2 2.72Å; K157-H210 PolarHBondContact O-NE2 3.42Å; L158-H210 VanDerWaalsContact CA-CD2 3.41Å; L158-H210 WeakPolarHBondContact CA-CD2 2.93Å; L158-H210 HydrophobicContact CD1-CB 4.15Å; L158-H210 PolarHBondContact O-CD2 3.08Å; A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.24Å; H210-F257 AromaticContact CE1-CE1 3.78Å; H210-L259 HydrophobicContact CB-CB 4.23Å |
| 211 | A | 92.9 | Very high | 84.3 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -71 | 147 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A208 Y209 Q217 R218 L259 | A208-A211 HydrophobicContact CB-CB 3.93Å; A208-A211 WeakPolarHBondContact O-CB 3.44Å; A208-A211 PolarHBondContact O-N 2.73Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; A211-Q217 HydrophobicContact CB-CB 4.16Å; A211-R218 HydrophobicContact CB-CB 3.97Å; A211-L259 HydrophobicContact CB-CD2 3.85Å |
| 212 | R | 89.4 | Confident | 85.6 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | trans | -61.2 | 143.6 | 172.8 | -61.2 | -175.5 | 178.3 | 170.4 | 1.6 | 110.2 | D214 S215 E258 | R212-D214 VanDerWaalsContact CB-OD1 3.26Å; R212-D214 WeakPolarHBondContact CB-OD1 3.22Å; R212-D214 PolarHBondContact O-N 3.5Å; R212-D214 VanDerWaalsContact O-N 3.11Å; R212-S215 PolarHBondContact O-N 3.36Å; R212-E258 IonicContact NH2-OE1 3.24Å; R212-E258 PolarHBondContact NH2-OE1 3.21Å | ||
| 213 | P | 86 | Confident | 87.1 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.7 | -173.7 | -26.9 | 35.5 | 0 | 0 | 0 | 114.9 | R218 | P213-R218 PolarHBondContact O-NH1 3.45Š|
| 214 | D | 88 | Confident | 88.5 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 75% | 0.754 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -3.3 | -178.4 | 59 | -25.4 | 0 | 0 | 0 | 113.7 | R212 | R212-D214 VanDerWaalsContact CB-OD1 3.26Å; R212-D214 WeakPolarHBondContact CB-OD1 3.22Å; R212-D214 PolarHBondContact O-N 3.5Å; R212-D214 VanDerWaalsContact O-N 3.11Å |
| 215 | S | 90.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -87.4 | 141.2 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | R212 Q217 R218 | R212-S215 PolarHBondContact O-N 3.36Å; S215-Q217 PolarHBondContact O-N 2.86Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; S215-Q217 WeakPolarHBondContact OG-CB 3.43Å; S215-Q217 WeakPolarHBondContact OG-CG 3.47Å; S215-Q217 PolarHBondContact OG-N 3.22Å; S215-Q217 VanDerWaalsContact OG-N 3.1Å; S215-R218 VanDerWaalsContact O-CB 3.26Å; S215-R218 WeakPolarHBondContact O-CB 3.38Å; S215-R218 PolarHBondContact O-N 3.44Å |
| 216 | D | 90.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -55.8 | -27.7 | 168.8 | -83.2 | -6.5 | 0 | 0 | 0 | 112.2 | R218 F219 C220 R238 W243 | D216-R218 PolarHBondContact O-N 2.78Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å; D216-C220 VanDerWaalsContact O-CB 3.26Å; D216-C220 WeakPolarHBondContact O-CB 3.13Å; D216-C220 PolarHBondContact O-N 3.5Å; D216-R238 IonicContact OD2-CZ 2.69Å; D216-R238 VanDerWaalsContact OD2-CZ 3.26Å; D216-R238 IonicContact OD2-NE 3.76Å; D216-R238 PolarHBondContact OD2-NE 2.78Å; D216-R238 IonicContact OD2-NH2 2.73Å; D216-R238 PolarHBondContact OD2-NH2 2.91Å; D216-W243 HydrophobicContact CB-CH2 4.24Å; D216-W243 HydrophobicContact CB-CZ2 3.8Å |
| 217 | Q | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.2 | -17.8 | 178 | -65.5 | 177.6 | -45 | 0 | 0 | 113 | A211 S215 F219 W243 L259 L260 | A211-Q217 HydrophobicContact CB-CB 4.16Å; S215-Q217 PolarHBondContact O-N 2.86Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; S215-Q217 WeakPolarHBondContact OG-CB 3.43Å; S215-Q217 WeakPolarHBondContact OG-CG 3.47Å; S215-Q217 PolarHBondContact OG-N 3.22Å; S215-Q217 VanDerWaalsContact OG-N 3.1Å; Q217-F219 VanDerWaalsContact C-N 3.28Å; Q217-F219 PolarHBondContact O-N 2.88Å; Q217-W243 HydrophobicContact CG-CH2 4.25Å; Q217-W243 HydrophobicContact CG-CZ2 3.57Å; Q217-L259 HydrophobicContact CB-CD2 4.38Å; Q217-L260 PolarHBondContact NE2-O 3.07Å; Q217-L260 PolarHBondContact OE1-O 2.9Å |
| 218 | R | 89.5 | Confident | 90.7 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -63.4 | -34.5 | 175 | -169.7 | 170.8 | -173.5 | 177.4 | 2.8 | 112.7 | V207 A208 A211 P213 S215 D216 | V207-R218 VanDerWaalsContact CA-O 3.25Å; V207-R218 WeakPolarHBondContact CA-O 3.26Å; A208-R218 PolarHBondContact N-O 3.01Å; A208-R218 VanDerWaalsContact N-O 3.07Å; A211-R218 HydrophobicContact CB-CB 3.97Å; P213-R218 PolarHBondContact O-NH1 3.45Å; S215-R218 VanDerWaalsContact O-CB 3.26Å; S215-R218 WeakPolarHBondContact O-CB 3.38Å; S215-R218 PolarHBondContact O-N 3.44Å; D216-R218 PolarHBondContact O-N 2.78Å; D216-R218 VanDerWaalsContact O-N 3.09Å |
| 219 | F | 88.1 | Confident | 89.6 | Confident | 109 Ų | 109 | 51.6 Ų | 51.6 | 48% | 0.478 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -19.5 | -176.7 | -54.7 | -73.2 | 0 | 0 | 0 | 113.2 | V207 D216 Q217 T221 | V207-F219 HydrophobicContact CG1-CD1 3.84Å; V207-F219 HydrophobicContact CG1-CE1 3.76Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å; Q217-F219 VanDerWaalsContact C-N 3.28Å; Q217-F219 PolarHBondContact O-N 2.88Å; F219-T221 PolarHBondContact O-N 2.9Å |
| 220 | C | 88.9 | Confident | 88.2 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | trans | -96.5 | 79.5 | 172.7 | -59 | 0 | 0 | 0 | 0 | 108.5 | D216 K241 W243 | D216-C220 VanDerWaalsContact O-CB 3.26Å; D216-C220 WeakPolarHBondContact O-CB 3.13Å; D216-C220 PolarHBondContact O-N 3.5Å; C220-K241 CarbonylContact C-O 3.58Å; C220-K241 HydrophobicContact CB-CB 4.45Å; C220-W243 HydrophobicContact CB-CZ2 4.43Å; C220-W243 VanDerWaalsContact CB-NE1 3.32Å; C220-W243 PolarHBondContact O-NE1 2.85Å | ||
| 221 | T | 92.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -99.3 | 13.9 | -168.4 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | G161 C162 Y163 T206 A208 F219 Y223 | G161-T221 WeakPolarHBondContact O-CB 3.37Å; G161-T221 PolarHBondContact O-OG1 3.26Å; C162-T221 CarbonylContact C-O 3.57Å; C162-T221 WeakPolarHBondContact CA-O 3.33Å; Y163-T221 PolarHBondContact N-O 3.24Å; T206-T221 WeakPolarHBondContact O-CG2 3.36Å; T206-T221 PolarHBondContact OG1-OG1 3.05Å; T206-T221 VanDerWaalsContact OG1-OG1 3.13Å; A208-T221 HydrophobicContact CB-CG2 3.84Å; F219-T221 PolarHBondContact O-N 2.9Å; T221-Y223 WeakPolarHBondContact O-CD2 3.38Å; T221-Y223 WeakPolarHBondContact O-CE2 3.12Å | ||
| 222 | Q | 93.3 | Very high | 86 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.2 | -179.8 | -67.4 | 168.1 | 62.8 | 0 | 0 | 111 | Y163 T201 I204 K241 V242 W243 | Y163-Q222 HydrophobicContact CD2-CG 4.37Å; Y163-Q222 HydrophobicContact CG-CG 4.43Å; Y163-Q222 CarbonylContact O-C 3.53Å; Y163-Q222 WeakPolarHBondContact O-CA 3.39Å; T201-Q222 VanDerWaalsContact CG2-OE1 3.22Å; T201-Q222 PolarHBondContact O-NE2 3.47Å; T201-Q222 VanDerWaalsContact O-NE2 3.11Å; I204-Q222 HydrophobicContact CD1-CG 4.41Å; Q222-K241 PolarHBondContact N-O 2.84Å; Q222-V242 HydrophobicContact CB-CG2 4.16Å; Q222-V242 CarbonylContact O-C 3.4Å; Q222-V242 WeakPolarHBondContact O-CA 3.38Å; Q222-W243 PolarHBondContact O-N 3.44Å |
| 223 | Y | 95.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.6 | -174.4 | -58.5 | -91.2 | 0 | 0 | 0 | 111 | C162 Y163 F164 Y165 T221 W243 W249 L262 | C162-Y223 HydrophobicContact CB-CD2 4.41Å; C162-Y223 HydrophobicContact CB-CE2 4.05Å; Y163-Y223 PolarHBondContact O-N 3.02Å; F164-Y223 CarbonylContact C-O 3.56Å; F164-Y223 WeakPolarHBondContact CA-O 3.19Å; F164-Y223 HydrophobicContact CD1-CD2 4.34Å; F164-Y223 HydrophobicContact CD1-CG 4.33Å; F164-Y223 AromaticContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CG 4.03Å; F164-Y223 HydrophobicContact CZ-CD2 4.1Å; Y165-Y223 PolarHBondContact N-O 2.94Å; T221-Y223 WeakPolarHBondContact O-CD2 3.38Å; T221-Y223 WeakPolarHBondContact O-CE2 3.12Å; Y223-W243 HydrophobicContact CD1-CB 3.69Å; Y223-W243 HydrophobicContact CD1-CG 4.07Å; Y223-W243 HydrophobicContact CE1-CB 4.05Å; Y223-W243 AromaticContact CE1-CD1 3.69Å; Y223-W243 AromaticContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CG-CB 4.49Å; Y223-W249 AromaticContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CH2 3.44Å; Y223-W249 VanDerWaalsContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CZ2 4.16Å; Y223-W249 AromaticContact CD1-CZ3 3.89Å; Y223-W249 HydrophobicContact CD1-CZ3 3.89Å; Y223-W249 AromaticContact CE1-CH2 3.43Å; Y223-W249 HydrophobicContact CE1-CH2 3.43Å; Y223-W249 VanDerWaalsContact CE1-CH2 3.43Å; Y223-W249 AromaticContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ3 4.32Å; Y223-W249 HydrophobicContact CG-CH2 4.08Å; Y223-W249 HydrophobicContact CG-CZ3 4.34Å; Y223-L262 HydrophobicContact CD1-CD1 4.02Å; Y223-L262 HydrophobicContact CE1-CD1 3.85Å |
| 224 | I | 95.3 | Very high | 85.1 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 110.3 | 166.3 | -63.5 | 174 | 0 | 0 | 0 | 106.9 | Y165 W167 K193 P194 V242 W243 K244 A245 | Y165-I224 HydrophobicContact CD1-CG1 4.23Å; Y165-I224 HydrophobicContact CD1-CG2 4.13Å; Y165-I224 CarbonylContact O-C 3.5Å; Y165-I224 WeakPolarHBondContact O-CA 3.48Å; W167-I224 HydrophobicContact CB-CG2 3.72Å; W167-I224 HydrophobicContact CG-CG2 4.33Å; K193-I224 HydrophobicContact CG-CD1 4.2Å; P194-I224 HydrophobicContact CG-CD1 4.16Å; P194-I224 HydrophobicContact CG-CG1 3.93Å; I224-V242 HydrophobicContact CD1-CG1 3.67Å; I224-V242 HydrophobicContact CG1-CG1 3.79Å; I224-W243 PolarHBondContact N-O 2.91Å; I224-K244 HydrophobicContact CB-CG 4.33Å; I224-K244 WeakPolarHBondContact O-CA 3.4Å; I224-A245 PolarHBondContact O-N 2.77Å |
| 225 | I | 95.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.1 | 179.4 | -51.7 | -56 | 0 | 0 | 0 | 109.5 | F164 Y165 L166 W167 F170 A245 W249 F250 | F164-I225 HydrophobicContact CD1-CD1 4.02Å; F164-I225 HydrophobicContact CD1-CG1 3.89Å; F164-I225 HydrophobicContact CE1-CD1 4.42Å; Y165-I225 PolarHBondContact O-N 3.39Å; L166-I225 HydrophobicContact CD2-CB 3.77Å; L166-I225 HydrophobicContact CD2-CG1 4.05Å; L166-I225 HydrophobicContact CD2-CG2 4.25Å; W167-I225 PolarHBondContact N-O 3.06Å; F170-I225 HydrophobicContact CE1-CG2 4.25Å; F170-I225 HydrophobicContact CZ-CG2 4.44Å; I225-A245 VanDerWaalsContact CA-O 3.29Å; I225-A245 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CD1-CB 4.03Å; I225-W249 HydrophobicContact CD1-CE3 4.11Å; I225-W249 HydrophobicContact CD1-CZ3 3.84Å; I225-F250 HydrophobicContact CD1-CB 4.5Å |
| 226 | Y | 92.5 | Very high | 84.3 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 159.2 | 175.9 | 63.7 | -92.6 | 0 | 0 | 0 | 111 | Y232 P234 K244 A245 P246 S247 | Y226-Y232 HydrophobicContact CD1-CD1 4.25Å; Y226-Y232 HydrophobicContact CD1-CE1 4.3Å; Y226-Y232 AromaticContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CE1-CD1 4.34Å; Y226-Y232 HydrophobicContact CE1-CE1 4.38Å; Y226-Y232 AromaticContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CG-CD1 4.01Å; Y226-Y232 HydrophobicContact CG-CE1 4.45Å; Y226-P234 HydrophobicContact CE1-CG 4.34Å; Y226-P234 WeakPolarHBondContact OH-CD 3.39Å; Y226-K244 HydrophobicContact CE1-CB 4.15Å; Y226-A245 WeakPolarHBondContact CD1-O 3.28Å; Y226-A245 WeakPolarHBondContact CE1-O 3.46Å; Y226-A245 PolarHBondContact N-O 2.92Å; Y226-A245 VanDerWaalsContact N-O 3.12Å; Y226-P246 HydrophobicContact CE2-CB 4.07Å; Y226-P246 CarbonylContact O-C 3.55Å; Y226-P246 WeakPolarHBondContact O-CA 3.43Å; Y226-S247 PolarHBondContact O-N 2.81Å |
| 227 | E | 88.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | trans | -82.7 | 134.7 | 179.1 | -173.8 | 161.7 | -107.1 | 0 | 0 | 112 | F170 K171 H172 H173 L229 | F170-E227 HydrophobicContact CD1-CB 4.2Å; F170-E227 HydrophobicContact CE1-CB 4.47Å; K171-E227 PolarHBondContact N-OE1 3.13Å; K171-E227 PolarHBondContact N-OE2 3.31Å; H172-E227 PolarHBondContact N-OE1 2.83Å; H173-E227 PolarHBondContact N-OE1 3.14Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.82Å | ||
| 228 | D | 78.9 | Confident | 84 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -60.3 | -32.1 | -173.6 | -68.8 | -86.8 | 0 | 0 | 0 | 114.5 | C230 P246 S247 S248 | D228-C230 PolarHBondContact O-N 2.84Å; D228-P246 WeakPolarHBondContact OD1-CB 3.37Å; D228-S247 PolarHBondContact OD2-OG 2.94Å; D228-S248 PolarHBondContact OD1-OG 2.73Å; D228-S248 WeakPolarHBondContact OD2-CB 3.38Å; D228-S248 PolarHBondContact OD2-N 3.12Å; D228-S248 PolarHBondContact OD2-OG 3.27Å; D228-S248 VanDerWaalsContact OD2-OG 3.09Å |
| 229 | L | 68.8 | Low | 83.9 | Confident | 133 Ų | 133 | 70 Ų | 70 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -80.5 | 3.6 | -170.1 | -68.7 | 162.9 | 0 | 0 | 0 | 113.8 | H172 E227 N231 | H172-L229 HydrophobicContact CB-CD1 4.23Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.82Å; L229-N231 VanDerWaalsContact C-N 3.34Å; L229-N231 PolarHBondContact O-N 2.79Å |
| 230 | C | 61.8 | Low | 83.8 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 48% | 0.48 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -87 | 10 | -173.7 | -61.5 | 0 | 0 | 0 | 0 | 114.9 | D228 Y232 | D228-C230 PolarHBondContact O-N 2.84Å; C230-Y232 PolarHBondContact O-N 2.77Å |
| 231 | N | 66.1 | Low | 83.6 | Confident | 149 Ų | 149 | 68.7 Ų | 68.7 | 80% | 0.797 | 34% | 0.339 | S | S | * | . | trans | 51.3 | 18 | -169.6 | -73.1 | -20.1 | 0 | 0 | 0 | 113.7 | L229 H233 | L229-N231 VanDerWaalsContact C-N 3.34Å; L229-N231 PolarHBondContact O-N 2.79Å; N231-H233 PolarHBondContact O-N 3.22Å; N231-H233 PolarHBondContact O-ND1 3.21Å | ||
| 232 | Y | 74.3 | Confident | 83.6 | Confident | 75 Ų | 75 | 69 Ų | 69 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -87.3 | 112.5 | -177.5 | -179.3 | -102.4 | 0 | 0 | 0 | 109.6 | W167 Y226 C230 P234 K244 | W167-Y232 HydrophobicContact CH2-CD2 4.24Å; W167-Y232 AromaticContact CH2-CE2 3.97Å; W167-Y232 HydrophobicContact CH2-CE2 3.97Å; W167-Y232 AromaticContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD2 4.18Å; W167-Y232 AromaticContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE2 4.05Å; W167-Y232 HydrophobicContact CZ3-CG 4.15Å; W167-Y232 AromaticContact CZ3-CZ 3.87Å; Y226-Y232 HydrophobicContact CD1-CD1 4.25Å; Y226-Y232 HydrophobicContact CD1-CE1 4.3Å; Y226-Y232 AromaticContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CE1-CD1 4.34Å; Y226-Y232 HydrophobicContact CE1-CE1 4.38Å; Y226-Y232 AromaticContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CG-CD1 4.01Å; Y226-Y232 HydrophobicContact CG-CE1 4.45Å; C230-Y232 PolarHBondContact O-N 2.77Å; Y232-P234 HydrophobicContact CE1-CB 4.08Å; Y232-K244 PolarHBondContact OH-NZ 3.39Å | ||
| 233 | H | 75.5 | Confident | 83.6 | Confident | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.727 | 34% | 0.34 | S | S | * | . | trans | -112.7 | 114.6 | 172.3 | -64.8 | 81 | 0 | 0 | 0 | 107.9 | N231 E235 | N231-H233 PolarHBondContact O-N 3.22Å; N231-H233 PolarHBondContact O-ND1 3.21Å; H233-E235 PolarHBondContact O-N 3.13Å | ||
| 234 | P | 80.6 | Confident | 83.5 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | trans | -68.5 | 133.7 | 177.2 | 28.4 | -32.9 | 0 | 0 | 0 | 109.8 | Y226 Y232 R236 K244 | Y226-P234 HydrophobicContact CE1-CG 4.34Å; Y226-P234 WeakPolarHBondContact OH-CD 3.39Å; Y232-P234 HydrophobicContact CE1-CB 4.08Å; P234-R236 PolarHBondContact O-N 2.86Å; P234-R236 VanDerWaalsContact O-N 3.17Å; P234-K244 HydrophobicContact CB-CB 4.18Å; P234-K244 HydrophobicContact CB-CD 3.6Å; P234-K244 HydrophobicContact CG-CB 4.24Å | ||
| 235 | E | 78.3 | Confident | 83.5 | Confident | 197 Ų | 197 | 71.3 Ų | 71.3 | 92% | 0.921 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -56.9 | -30.6 | 174.7 | -66.9 | 175.5 | -172 | 0 | 0 | 112.8 | H233 | H233-E235 PolarHBondContact O-N 3.13Š|
| 236 | R | 83.6 | Confident | 83.4 | Confident | 174 Ų | 174 | 72.3 Ų | 72.3 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | trans | -139.1 | 132 | 173.7 | -66.7 | -176.3 | 172 | -168.1 | -4.6 | 109.9 | P234 R238 | P234-R236 PolarHBondContact O-N 2.86Å; P234-R236 VanDerWaalsContact O-N 3.17Å; R236-R238 PolarHBondContact O-N 3.49Å | ||
| 237 | V | 87.7 | Confident | 83.5 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -69.6 | -21.9 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | W243 K244 | V237-W243 HydrophobicContact CG2-CE3 4.47Å; V237-W243 HydrophobicContact CG2-CZ3 4.19Å; V237-W243 CarbonylContact O-C 3.59Å; V237-W243 VanDerWaalsContact O-CA 3.28Å; V237-W243 WeakPolarHBondContact O-CA 3.24Å; V237-K244 PolarHBondContact O-N 3.48Å |
| 238 | R | 89.2 | Confident | 83.7 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.5 | 177.4 | -169.9 | 171.2 | 68.1 | 81.2 | -10.7 | 112.6 | D216 R236 G240 V242 W243 | D216-R238 IonicContact OD2-CZ 2.69Å; D216-R238 VanDerWaalsContact OD2-CZ 3.26Å; D216-R238 IonicContact OD2-NE 3.76Å; D216-R238 PolarHBondContact OD2-NE 2.78Å; D216-R238 IonicContact OD2-NH2 2.73Å; D216-R238 PolarHBondContact OD2-NH2 2.91Å; R236-R238 PolarHBondContact O-N 3.49Å; R238-G240 WeakPolarHBondContact CG-O 3.44Å; R238-G240 PolarHBondContact NH1-O 2.76Å; R238-V242 WeakPolarHBondContact CA-O 3.29Å; R238-W243 HydrophobicContact CB-CD2 4.14Å; R238-W243 HydrophobicContact CB-CE3 3.71Å; R238-W243 HydrophobicContact CB-CH2 4.32Å; R238-W243 HydrophobicContact CB-CZ3 3.81Å; R238-W243 VanDerWaalsContact CD-CZ2 3.46Å; R238-W243 HydrophobicContact CG-CD2 4.11Å; R238-W243 HydrophobicContact CG-CE3 4.19Å; R238-W243 HydrophobicContact CG-CH2 4.49Å; R238-W243 HydrophobicContact CG-CZ2 4.43Å; R238-W243 HydrophobicContact CG-CZ3 4.38Å |
| 239 | Q | 87.3 | Confident | 84.4 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 114.9 | 166.5 | -173.8 | 66.7 | 39.6 | 0 | 0 | 108.9 | P196 K241 V242 | P196-Q239 HydrophobicContact CB-CB 4.42Å; P196-Q239 HydrophobicContact CB-CG 3.9Å; P196-Q239 WeakPolarHBondContact CB-O 3.33Å; P196-Q239 HydrophobicContact CG-CG 3.79Å; Q239-K241 PolarHBondContact O-N 2.8Å; Q239-V242 PolarHBondContact N-O 2.73Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.11Å |
| 240 | G | 85.7 | Confident | 85.7 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -130.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R238 V242 | R238-G240 WeakPolarHBondContact CG-O 3.44Å; R238-G240 PolarHBondContact NH1-O 2.76Å; G240-V242 VanDerWaalsContact C-N 3.3Å |
| 241 | K | 85.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.8 | 176.3 | -69.9 | -176.3 | 172.5 | 179.9 | 0 | 114.4 | Q202 I204 C220 Q222 Q239 | Q202-K241 PolarHBondContact O-NZ 2.98Å; I204-K241 PolarHBondContact O-NZ 3.09Å; C220-K241 CarbonylContact C-O 3.58Å; C220-K241 HydrophobicContact CB-CB 4.45Å; Q222-K241 PolarHBondContact N-O 2.84Å; Q239-K241 PolarHBondContact O-N 2.8Å |
| 242 | V | 91.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.7 | -171.1 | -173 | 0 | 0 | 0 | 0 | 111 | P194 Q222 I224 R238 Q239 G240 | P194-V242 HydrophobicContact CB-CG1 4.46Å; P194-V242 HydrophobicContact CB-CG2 4.06Å; P194-V242 HydrophobicContact CG-CG1 3.83Å; P194-V242 HydrophobicContact CG-CG2 4.33Å; Q222-V242 HydrophobicContact CB-CG2 4.16Å; Q222-V242 CarbonylContact O-C 3.4Å; Q222-V242 WeakPolarHBondContact O-CA 3.38Å; I224-V242 HydrophobicContact CD1-CG1 3.67Å; I224-V242 HydrophobicContact CG1-CG1 3.79Å; R238-V242 WeakPolarHBondContact CA-O 3.29Å; Q239-V242 PolarHBondContact N-O 2.73Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.11Å; G240-V242 VanDerWaalsContact C-N 3.3Å |
| 243 | W | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 152.7 | 172.9 | -61.4 | 93 | 0 | 0 | 0 | 111.7 | D216 Q217 C220 Q222 Y223 I224 V237 R238 L262 D263 | D216-W243 HydrophobicContact CB-CH2 4.24Å; D216-W243 HydrophobicContact CB-CZ2 3.8Å; Q217-W243 HydrophobicContact CG-CH2 4.25Å; Q217-W243 HydrophobicContact CG-CZ2 3.57Å; C220-W243 HydrophobicContact CB-CZ2 4.43Å; C220-W243 VanDerWaalsContact CB-NE1 3.32Å; C220-W243 PolarHBondContact O-NE1 2.85Å; Q222-W243 PolarHBondContact O-N 3.44Å; Y223-W243 HydrophobicContact CD1-CB 3.69Å; Y223-W243 HydrophobicContact CD1-CG 4.07Å; Y223-W243 HydrophobicContact CE1-CB 4.05Å; Y223-W243 AromaticContact CE1-CD1 3.69Å; Y223-W243 AromaticContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CG-CB 4.49Å; I224-W243 PolarHBondContact N-O 2.91Å; V237-W243 HydrophobicContact CG2-CE3 4.47Å; V237-W243 HydrophobicContact CG2-CZ3 4.19Å; V237-W243 CarbonylContact O-C 3.59Å; V237-W243 VanDerWaalsContact O-CA 3.28Å; V237-W243 WeakPolarHBondContact O-CA 3.24Å; R238-W243 HydrophobicContact CB-CD2 4.14Å; R238-W243 HydrophobicContact CB-CE3 3.71Å; R238-W243 HydrophobicContact CB-CH2 4.32Å; R238-W243 HydrophobicContact CB-CZ3 3.81Å; R238-W243 VanDerWaalsContact CD-CZ2 3.46Å; R238-W243 HydrophobicContact CG-CD2 4.11Å; R238-W243 HydrophobicContact CG-CE3 4.19Å; R238-W243 HydrophobicContact CG-CH2 4.49Å; R238-W243 HydrophobicContact CG-CZ2 4.43Å; R238-W243 HydrophobicContact CG-CZ3 4.38Å; W243-L262 HydrophobicContact CB-CD1 3.89Å; W243-L262 HydrophobicContact CD2-CB 4.49Å; W243-L262 HydrophobicContact CD2-CD1 4.01Å; W243-L262 HydrophobicContact CE3-CB 3.68Å; W243-L262 HydrophobicContact CE3-CD1 3.88Å; W243-L262 HydrophobicContact CE3-CG 4.46Å; W243-L262 HydrophobicContact CG-CD1 4.03Å; W243-L262 HydrophobicContact CZ3-CB 3.75Å; W243-D263 HydrophobicContact CH2-CB 3.93Å; W243-D263 HydrophobicContact CZ3-CB 4.02Å |
| 244 | K | 93.5 | Very high | 90.7 | Very high | 56 Ų | 56 | 50 Ų | 50 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.4 | 163.9 | -65.7 | 178.2 | -175.7 | 176.6 | 0 | 107.2 | I224 Y226 Y232 P234 V237 | I224-K244 HydrophobicContact CB-CG 4.33Å; I224-K244 WeakPolarHBondContact O-CA 3.4Å; Y226-K244 HydrophobicContact CE1-CB 4.15Å; Y232-K244 PolarHBondContact OH-NZ 3.39Å; P234-K244 HydrophobicContact CB-CB 4.18Å; P234-K244 HydrophobicContact CB-CD 3.6Å; P234-K244 HydrophobicContact CG-CB 4.24Å; V237-K244 PolarHBondContact O-N 3.48Å |
| 245 | A | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I224 I225 Y226 W249 L262 | I224-A245 PolarHBondContact O-N 2.77Å; I225-A245 VanDerWaalsContact CA-O 3.29Å; I225-A245 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CD1-CB 4.03Å; Y226-A245 WeakPolarHBondContact CD1-O 3.28Å; Y226-A245 WeakPolarHBondContact CE1-O 3.46Å; Y226-A245 PolarHBondContact N-O 2.92Å; Y226-A245 VanDerWaalsContact N-O 3.12Å; A245-W249 HydrophobicContact CB-CD2 3.79Å; A245-W249 HydrophobicContact CB-CE3 3.41Å; A245-W249 VanDerWaalsContact CB-CE3 3.41Å; A245-W249 HydrophobicContact CB-CG 4.29Å; A245-W249 HydrophobicContact CB-CZ3 3.91Å; A245-L262 HydrophobicContact CB-CD1 3.79Å; A245-L262 HydrophobicContact CB-CD2 3.78Å; A245-L262 HydrophobicContact CB-CG 4.46Å |
| 246 | P | 93.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 162 | 172.8 | 26.1 | -30.5 | 0 | 0 | 0 | 112.4 | Y226 D228 S248 W249 F250 | Y226-P246 HydrophobicContact CE2-CB 4.07Å; Y226-P246 CarbonylContact O-C 3.55Å; Y226-P246 WeakPolarHBondContact O-CA 3.43Å; D228-P246 WeakPolarHBondContact OD1-CB 3.37Å; P246-S248 VanDerWaalsContact C-N 3.28Å; P246-S248 WeakPolarHBondContact CB-OG 3.42Å; P246-S248 WeakPolarHBondContact CG-OG 3.22Å; P246-S248 PolarHBondContact O-N 3.11Å; P246-W249 HydrophobicContact CG-CB 3.89Å; P246-W249 PolarHBondContact O-N 3.43Å; P246-F250 PolarHBondContact O-N 3.42Å |
| 247 | S | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 174.5 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | H173 Y226 D228 F250 I251 | H173-S247 WeakPolarHBondContact ND1-CB 3.48Å; H173-S247 PolarHBondContact ND1-OG 3.2Å; Y226-S247 PolarHBondContact O-N 2.81Å; D228-S247 PolarHBondContact OD2-OG 2.94Å; S247-F250 PolarHBondContact O-N 3.2Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.47Å; S247-I251 VanDerWaalsContact O-N 3.09Å |
| 248 | S | 92.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.7 | -52 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | D228 P246 F250 I251 D252 | D228-S248 PolarHBondContact OD1-OG 2.73Å; D228-S248 WeakPolarHBondContact OD2-CB 3.38Å; D228-S248 PolarHBondContact OD2-N 3.12Å; D228-S248 PolarHBondContact OD2-OG 3.27Å; D228-S248 VanDerWaalsContact OD2-OG 3.09Å; P246-S248 VanDerWaalsContact C-N 3.28Å; P246-S248 WeakPolarHBondContact CB-OG 3.42Å; P246-S248 WeakPolarHBondContact CG-OG 3.22Å; P246-S248 PolarHBondContact O-N 3.11Å; S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 3.17Å; S248-I251 CarbonylContact O-C 3.56Å; S248-I251 WeakPolarHBondContact O-CA 3.42Å; S248-I251 WeakPolarHBondContact O-CB 3.37Å; S248-I251 PolarHBondContact O-N 3.35Å; S248-D252 VanDerWaalsContact O-CG 3.27Å; S248-D252 PolarHBondContact O-N 2.71Å |
| 249 | W | 95 | Very high | 93.4 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.4 | -44.2 | 176.1 | 165.7 | 87.2 | 0 | 0 | 0 | 112.3 | F164 Y223 I225 A245 P246 I251 D252 C253 L259 L260 L262 | F164-W249 HydrophobicContact CE1-CH2 4.41Å; F164-W249 HydrophobicContact CE1-CZ3 4.18Å; Y223-W249 AromaticContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CH2 3.44Å; Y223-W249 VanDerWaalsContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CZ2 4.16Å; Y223-W249 AromaticContact CD1-CZ3 3.89Å; Y223-W249 HydrophobicContact CD1-CZ3 3.89Å; Y223-W249 AromaticContact CE1-CH2 3.43Å; Y223-W249 HydrophobicContact CE1-CH2 3.43Å; Y223-W249 VanDerWaalsContact CE1-CH2 3.43Å; Y223-W249 AromaticContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ3 4.32Å; Y223-W249 HydrophobicContact CG-CH2 4.08Å; Y223-W249 HydrophobicContact CG-CZ3 4.34Å; I225-W249 HydrophobicContact CD1-CE3 4.11Å; I225-W249 HydrophobicContact CD1-CZ3 3.84Å; A245-W249 HydrophobicContact CB-CD2 3.79Å; A245-W249 HydrophobicContact CB-CE3 3.41Å; A245-W249 VanDerWaalsContact CB-CE3 3.41Å; A245-W249 HydrophobicContact CB-CG 4.29Å; A245-W249 HydrophobicContact CB-CZ3 3.91Å; P246-W249 HydrophobicContact CG-CB 3.89Å; P246-W249 PolarHBondContact O-N 3.43Å; W249-I251 PolarHBondContact O-N 2.96Å; W249-D252 PolarHBondContact O-N 3.2Å; W249-C253 PolarHBondContact O-N 2.88Å; W249-C253 PolarHBondContact O-SG 2.8Å; W249-L259 HydrophobicContact CH2-CD1 4.12Å; W249-L259 HydrophobicContact CZ2-CD1 3.92Å; W249-L260 PolarHBondContact NE1-O 3.11Å; W249-L262 HydrophobicContact CB-CD2 4.45Å; W249-L262 VanDerWaalsContact CD1-CD2 3.46Å; W249-L262 HydrophobicContact CD2-CD1 4.47Å; W249-L262 HydrophobicContact CD2-CD2 3.96Å; W249-L262 HydrophobicContact CD2-CG 4.41Å; W249-L262 HydrophobicContact CG-CD2 3.71Å; W249-L262 HydrophobicContact CZ2-CD1 4.02Å; W249-L262 HydrophobicContact CZ2-CG 4.3Å |
| 250 | F | 96.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 178.9 | 175.1 | -92.6 | 0 | 0 | 0 | 111.6 | F159 F164 L178 L181 V182 I225 P246 S247 S248 C253 V254 | F159-F250 HydrophobicContact CD2-CE2 4.05Å; F159-F250 HydrophobicContact CD2-CZ 4.44Å; F159-F250 HydrophobicContact CE1-CE2 4.31Å; F159-F250 HydrophobicContact CE2-CD2 4.22Å; F159-F250 AromaticContact CE2-CE2 3.36Å; F159-F250 HydrophobicContact CE2-CE2 3.36Å; F159-F250 AromaticContact CE2-CZ 3.66Å; F159-F250 HydrophobicContact CE2-CZ 3.66Å; F159-F250 AromaticContact CZ-CD2 3.91Å; F159-F250 HydrophobicContact CZ-CD2 3.91Å; F159-F250 AromaticContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CZ 4.14Å; F164-F250 HydrophobicContact CD1-CD2 4.18Å; F164-F250 HydrophobicContact CD1-CE2 4.26Å; F164-F250 AromaticContact CE1-CD2 3.75Å; F164-F250 HydrophobicContact CE1-CD2 3.75Å; F164-F250 AromaticContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CZ-CD2 4.36Å; F164-F250 HydrophobicContact CZ-CE2 4.14Å; L178-F250 HydrophobicContact CD2-CD1 3.79Å; L178-F250 HydrophobicContact CD2-CE1 3.97Å; L181-F250 HydrophobicContact CB-CE1 3.7Å; L181-F250 HydrophobicContact CB-CZ 3.84Å; L181-F250 HydrophobicContact CD1-CE1 3.97Å; V182-F250 HydrophobicContact CB-CZ 4.49Å; V182-F250 HydrophobicContact CG2-CE2 3.61Å; V182-F250 HydrophobicContact CG2-CZ 3.54Å; I225-F250 HydrophobicContact CD1-CB 4.5Å; P246-F250 PolarHBondContact O-N 3.42Å; S247-F250 PolarHBondContact O-N 3.2Å; S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 3.17Å; F250-C253 WeakPolarHBondContact O-CB 3.33Å; F250-C253 PolarHBondContact O-N 3.46Å; F250-V254 HydrophobicContact CE1-CG2 4.08Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.4Å; F250-V254 PolarHBondContact O-N 3.29Å |
| 251 | I | 95.2 | Very high | 94.2 | Very high | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.4 | -64.3 | -60.4 | 0 | 0 | 0 | 110.6 | L178 L181 S247 S248 W249 C253 V254 M255 | L178-I251 HydrophobicContact CD2-CD1 4.17Å; L181-I251 HydrophobicContact CD1-CD1 3.88Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.47Å; S247-I251 VanDerWaalsContact O-N 3.09Å; S248-I251 CarbonylContact O-C 3.56Å; S248-I251 WeakPolarHBondContact O-CA 3.42Å; S248-I251 WeakPolarHBondContact O-CB 3.37Å; S248-I251 PolarHBondContact O-N 3.35Å; W249-I251 PolarHBondContact O-N 2.96Å; I251-C253 VanDerWaalsContact C-N 3.27Å; I251-C253 PolarHBondContact O-N 3.28Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.29Å; I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CG 3.28Å; I251-M255 WeakPolarHBondContact O-CG 3.24Å; I251-M255 PolarHBondContact O-N 3.13Å |
| 252 | D | 95.1 | Very high | 94.4 | Very high | 80 Ų | 80 | 31.5 Ų | 31.5 | 43% | 0.428 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62 | -37 | 179 | -65.2 | -24.7 | 0 | 0 | 0 | 111.7 | S248 W249 M255 S256 L260 | S248-D252 VanDerWaalsContact O-CG 3.27Å; S248-D252 PolarHBondContact O-N 2.71Å; W249-D252 PolarHBondContact O-N 3.2Å; D252-M255 PolarHBondContact O-N 3.11Å; D252-S256 VanDerWaalsContact O-CB 3.24Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 3.41Å; D252-S256 PolarHBondContact O-OG 3.4Å; D252-L260 HydrophobicContact CB-CD1 3.61Å |
| 253 | C | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 171.9 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | L158 F159 W249 F250 I251 S256 F257 E258 L260 | L158-C253 WeakPolarHBondContact CD2-O 3.39Å; F159-C253 HydrophobicContact CE1-CB 4.11Å; F159-C253 HydrophobicContact CZ-CB 4.06Å; W249-C253 PolarHBondContact O-N 2.88Å; W249-C253 PolarHBondContact O-SG 2.8Å; F250-C253 WeakPolarHBondContact O-CB 3.33Å; F250-C253 PolarHBondContact O-N 3.46Å; I251-C253 VanDerWaalsContact C-N 3.27Å; I251-C253 PolarHBondContact O-N 3.28Å; C253-S256 PolarHBondContact O-N 2.87Å; C253-F257 WeakPolarHBondContact O-CA 3.47Å; C253-F257 PolarHBondContact O-N 3.23Å; C253-E258 WeakPolarHBondContact CA-O 3.41Å; C253-E258 WeakPolarHBondContact CB-O 3.42Å; C253-E258 PolarHBondContact O-N 3.46Å; C253-E258 VanDerWaalsContact O-N 3.15Å; C253-E258 PolarHBondContact SG-O 3.33Å; C253-L260 PolarHBondContact SG-N 3.49Å; C253-L260 VanDerWaalsContact SG-N 3.4Å |
| 254 | V | 96.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | F159 L181 F250 I251 S256 F257 | F159-V254 HydrophobicContact CE2-CG2 3.72Å; F159-V254 HydrophobicContact CZ-CG2 3.83Å; L181-V254 HydrophobicContact CD2-CG1 4.36Å; F250-V254 HydrophobicContact CE1-CG2 4.08Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.4Å; F250-V254 PolarHBondContact O-N 3.29Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.29Å; V254-S256 VanDerWaalsContact C-N 3.26Å; V254-S256 PolarHBondContact O-N 2.8Å; V254-F257 PolarHBondContact O-N 3.11Å |
| 255 | M | 93.6 | Very high | 91.5 | Very high | 130 Ų | 130 | 41.8 Ų | 41.8 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.2 | -34 | -178.4 | -68.3 | -57.9 | -65.5 | 0 | 0 | 112 | I251 D252 | I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CG 3.28Å; I251-M255 WeakPolarHBondContact O-CG 3.24Å; I251-M255 PolarHBondContact O-N 3.13Å; D252-M255 PolarHBondContact O-N 3.11Å |
| 256 | S | 94.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 44 Ų | 44 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -89.6 | -16.2 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 113 | G143 R146 D252 C253 V254 E258 | G143-S256 VanDerWaalsContact CA-O 3.25Å; G143-S256 WeakPolarHBondContact CA-O 3.25Å; R146-S256 PolarHBondContact NE-O 2.83Å; R146-S256 VanDerWaalsContact NE-O 3.11Å; R146-S256 PolarHBondContact NH2-O 3.38Å; D252-S256 VanDerWaalsContact O-CB 3.24Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 3.41Å; D252-S256 PolarHBondContact O-OG 3.4Å; C253-S256 PolarHBondContact O-N 2.87Å; V254-S256 VanDerWaalsContact C-N 3.26Å; V254-S256 PolarHBondContact O-N 2.8Å; S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 2.87Å |
| 257 | F | 96.7 | Very high | 91.2 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 11% | 0.114 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 49.5 | -165.4 | -162 | -98.7 | 0 | 0 | 0 | 111.9 | G143 R146 S147 N150 L158 H210 C253 V254 | G143-F257 WeakPolarHBondContact O-CB 3.44Å; R146-F257 HydrophobicContact CB-CB 4.34Å; R146-F257 HydrophobicContact CB-CD1 3.97Å; S147-F257 WeakPolarHBondContact OG-CD2 3.42Å; S147-F257 VanDerWaalsContact OG-CE2 3.28Å; S147-F257 WeakPolarHBondContact OG-CE2 3.29Å; N150-F257 HydrophobicContact CB-CE1 3.6Å; N150-F257 HydrophobicContact CB-CZ 3.88Å; L158-F257 HydrophobicContact CB-CD2 4.19Å; L158-F257 HydrophobicContact CB-CE2 3.88Å; L158-F257 HydrophobicContact CB-CZ 4.39Å; L158-F257 HydrophobicContact CD1-CD2 4.48Å; L158-F257 HydrophobicContact CD2-CD2 4.31Å; H210-F257 AromaticContact CE1-CE1 3.78Å; C253-F257 WeakPolarHBondContact O-CA 3.47Å; C253-F257 PolarHBondContact O-N 3.23Å; V254-F257 PolarHBondContact O-N 3.11Å |
| 258 | E | 95.9 | Very high | 91 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -144.2 | 140.4 | 178.7 | -172.9 | 170.2 | 165.4 | 0 | 0 | 109.5 | R146 R212 C253 S256 L260 | R146-E258 IonicContact CZ-OE2 2.61Å; R146-E258 IonicContact NH1-OE2 3.41Å; R146-E258 PolarHBondContact NH1-OE2 3.11Å; R146-E258 IonicContact NH2-OE2 3.25Å; R212-E258 IonicContact NH2-OE1 3.24Å; R212-E258 PolarHBondContact NH2-OE1 3.21Å; C253-E258 WeakPolarHBondContact CA-O 3.41Å; C253-E258 WeakPolarHBondContact CB-O 3.42Å; C253-E258 PolarHBondContact O-N 3.46Å; C253-E258 VanDerWaalsContact O-N 3.15Å; C253-E258 PolarHBondContact SG-O 3.33Å; S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 2.87Å; E258-L260 HydrophobicContact CB-CD2 4.25Å; E258-L260 HydrophobicContact CG-CD2 4.17Å; E258-L260 PolarHBondContact O-N 2.95Å |
| 259 | L | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -83.1 | 95.6 | 170.8 | -170.6 | 66.6 | 0 | 0 | 0 | 108.4 | F159 A208 H210 A211 Q217 W249 | F159-L259 HydrophobicContact CD1-CD1 4.28Å; F159-L259 HydrophobicContact CE1-CD1 4.19Å; A208-L259 HydrophobicContact CB-CD2 3.96Å; H210-L259 HydrophobicContact CB-CB 4.23Å; A211-L259 HydrophobicContact CB-CD2 3.85Å; Q217-L259 HydrophobicContact CB-CD2 4.38Å; W249-L259 HydrophobicContact CH2-CD1 4.12Å; W249-L259 HydrophobicContact CZ2-CD1 3.92Å | ||
| 260 | L | 95.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | trans | -69.8 | 141.4 | -173.5 | -61.4 | 173 | 0 | 0 | 0 | 111.5 | Q217 W249 D252 C253 E258 | Q217-L260 PolarHBondContact NE2-O 3.07Å; Q217-L260 PolarHBondContact OE1-O 2.9Å; W249-L260 PolarHBondContact NE1-O 3.11Å; D252-L260 HydrophobicContact CB-CD1 3.61Å; C253-L260 PolarHBondContact SG-N 3.49Å; C253-L260 VanDerWaalsContact SG-N 3.4Å; E258-L260 HydrophobicContact CB-CD2 4.25Å; E258-L260 HydrophobicContact CG-CD2 4.17Å; E258-L260 PolarHBondContact O-N 2.95Å | ||
| 261 | P | 93.6 | Very high | 90.2 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | trans | -64 | 151.5 | 176.8 | 28.1 | -34.5 | 0 | 0 | 0 | 111.7 | ||||
| 262 | L | 89.1 | Confident | 89.8 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -117.1 | -8.7 | 179 | -77.1 | 169.2 | 0 | 0 | 0 | 112.8 | Y223 W243 A245 W249 | Y223-L262 HydrophobicContact CD1-CD1 4.02Å; Y223-L262 HydrophobicContact CE1-CD1 3.85Å; W243-L262 HydrophobicContact CB-CD1 3.89Å; W243-L262 HydrophobicContact CD2-CB 4.49Å; W243-L262 HydrophobicContact CD2-CD1 4.01Å; W243-L262 HydrophobicContact CE3-CB 3.68Å; W243-L262 HydrophobicContact CE3-CD1 3.88Å; W243-L262 HydrophobicContact CE3-CG 4.46Å; W243-L262 HydrophobicContact CG-CD1 4.03Å; W243-L262 HydrophobicContact CZ3-CB 3.75Å; A245-L262 HydrophobicContact CB-CD1 3.79Å; A245-L262 HydrophobicContact CB-CD2 3.78Å; A245-L262 HydrophobicContact CB-CG 4.46Å; W249-L262 HydrophobicContact CB-CD2 4.45Å; W249-L262 VanDerWaalsContact CD1-CD2 3.46Å; W249-L262 HydrophobicContact CD2-CD1 4.47Å; W249-L262 HydrophobicContact CD2-CD2 3.96Å; W249-L262 HydrophobicContact CD2-CG 4.41Å; W249-L262 HydrophobicContact CG-CD2 3.71Å; W249-L262 HydrophobicContact CZ2-CD1 4.02Å; W249-L262 HydrophobicContact CZ2-CG 4.3Å |
| 263 | D | 73.9 | Confident | 89.4 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | trans | -109.5 | 11.1 | -170.8 | 47.1 | -18 | 0 | 0 | 0 | 113.1 | W243 | W243-D263 HydrophobicContact CH2-CB 3.93Å; W243-D263 HydrophobicContact CZ3-CB 4.02Å | ||
| 264 | S | 51.6 | Low | 88.8 | Confident | 161 Ų | 161 | 58 Ų | 58 | 100% | 1.126 | 34% | 0.336 | S | S | * | . | trans | -103.5 | 0 | 178 | -52.9 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 264 of 264 residues in 1816.7 ms
(Link to these results)