| 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 | 41.4 | Very low | 42.6 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 100% | 1.163 | 77% | 0.773 | S | S | * | * | 0 | 84 | 0 | -52.9 | -139.7 | -97.4 | 0 | 0 | 105.7 | |||||
| 2 | L | 37.9 | Very low | 42.3 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | 42.6 | 115 | 70.9 | -66.6 | 175.8 | 0 | 0 | 0 | 109.7 | |||||
| 3 | T | 40.8 | Very low | 42.3 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | cis | -172.6 | 145.3 | 23 | 20.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | L | 50.3 | Low | 41.8 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 130.8 | 135.8 | -65 | 165.6 | 0 | 0 | 0 | 123 | F6 | L4-F6 HydrophobicContact CB-CD2 4.31Å; L4-F6 HydrophobicContact CD1-CD2 4.49Å; L4-F6 HydrophobicContact CD1-CE2 3.95Å | ||
| 5 | P | 48.2 | Very low | 41.4 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -85.2 | 128.6 | 148.9 | 34 | -23.8 | 0 | 0 | 0 | 109.2 | ||||
| 6 | F | 36.9 | Very low | 41.2 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | -99.6 | 113 | 175.2 | -111.4 | -91.6 | 0 | 0 | 0 | 110.4 | L4 | L4-F6 HydrophobicContact CB-CD2 4.31Å; L4-F6 HydrophobicContact CD1-CD2 4.49Å; L4-F6 HydrophobicContact CD1-CE2 3.95Å | ||
| 7 | D | 45.9 | Very low | 40.6 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 126.3 | 150.2 | -164.9 | -0.5 | 0 | 0 | 0 | 107.3 | ||||
| 8 | E | 40.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -145 | 104 | 169.7 | -152.6 | 170.5 | -162.1 | 0 | 0 | 111.3 | V10 | E8-V10 PolarHBondContact O-N 2.82Å; E8-V10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | S | 44.5 | Very low | 39.8 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 99.3 | 161.6 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | V11 | S9-V11 PolarHBondContact O-N 2.84Š| ||
| 10 | V | 41.2 | Very low | 39.6 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | trans | -85.3 | 95.5 | 170 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | E8 M12 | E8-V10 PolarHBondContact O-N 2.82Å; E8-V10 VanDerWaalsContact O-N 3.17Å; V10-M12 HydrophobicContact CG1-CE 4.35Å; V10-M12 PolarHBondContact O-N 2.71Å | ||
| 11 | V | 40.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.3 | 158.3 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | S9 | S9-V11 PolarHBondContact O-N 2.84Š|
| 12 | M | 39.1 | Very low | 38.4 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 127.3 | 172.3 | -76.5 | -74.9 | 150.6 | 0 | 0 | 109.6 | V10 | V10-M12 HydrophobicContact CG1-CE 4.35Å; V10-M12 PolarHBondContact O-N 2.71Å |
| 13 | P | 42.5 | Very low | 38.3 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 131.6 | -179.2 | 30 | -29.9 | 0 | 0 | 0 | 111.6 | S15 | P13-S15 PolarHBondContact O-N 3.41Š|
| 14 | E | 36.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 118.1 | 168.7 | -71.6 | -175.7 | 145.2 | 0 | 0 | 110.9 | Q16 | E14-Q16 PolarHBondContact O-N 3.28Å; E14-Q16 VanDerWaalsContact O-N 3.13Å |
| 15 | S | 34.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -83.8 | 87 | 172 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | P13 M17 | P13-S15 PolarHBondContact O-N 3.41Å; S15-M17 PolarHBondContact O-N 3.47Å | ||
| 16 | Q | 39.2 | Very low | 36.3 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -65.3 | 104.5 | 156.7 | -75.1 | 179.9 | 11.2 | 0 | 0 | 108.8 | E14 | E14-Q16 PolarHBondContact O-N 3.28Å; E14-Q16 VanDerWaalsContact O-N 3.13Å | ||
| 17 | M | 31.4 | Very low | 36.2 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 96% | 0.956 | 81% | 0.806 | S | S | * | * | trans | -132.7 | 76.7 | 164.7 | -132 | 147.5 | -172 | 0 | 0 | 109.7 | S15 | S15-M17 PolarHBondContact O-N 3.47Š| ||
| 18 | C | 31.7 | Very low | 35.8 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -111 | 139 | 161.8 | -162.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 19 | R | 34.3 | Very low | 35.6 | Very low | 221 Ų | 221 | 158.7 Ų | 158.7 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 93.8 | 95.7 | 164.5 | -52.5 | -179.5 | 177.9 | -176.7 | -1.2 | 116.9 | ||||
| 20 | K | 34.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 162 Ų | 162 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | 162 | 125.8 | 101.6 | -85.8 | 169.8 | -175.1 | 179.4 | 0 | 107.3 | |||||
| 21 | F | 29.2 | Very low | 35 | Very low | 219 Ų | 219 | 164.8 Ų | 164.8 | 96% | 0.961 | 82% | 0.824 | S | S | * | * | trans | -161.4 | 137.1 | 131.6 | -93.1 | -64.7 | 0 | 0 | 0 | 110.6 | ||||
| 22 | S | 27.2 | Very low | 34.7 | Very low | 119 Ų | 119 | 167.7 Ų | 167.7 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -58.4 | 157.1 | -172.6 | -70.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 23 | R | 35.4 | Very low | 34.4 | Very low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -101.1 | 120.3 | 174 | -171.6 | -177 | -171.6 | -178.6 | 2.4 | 107.7 | ||||
| 24 | E | 30.9 | Very low | 34.1 | Very low | 184 Ų | 184 | 165.4 Ų | 165.4 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -173 | 134.9 | 168.4 | -103.7 | 168.2 | -161.4 | 0 | 0 | 104.8 | ||||
| 25 | S | 31.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 161.9 Ų | 161.9 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | cis | -156.9 | 134.5 | 25 | -42.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 26 | D | 33.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 161.2 Ų | 161.2 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | 53 | 117.6 | 106.8 | -82 | -30.1 | 0 | 0 | 0 | 118.5 | |||||
| 27 | D | 35.4 | Very low | 34.1 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -145.2 | 116 | 140.2 | -116.5 | -25.2 | 0 | 0 | 0 | 110 | ||||
| 28 | Q | 36.7 | Very low | 34.6 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | trans | -83.6 | 130.7 | -177.5 | -68.1 | 174.8 | 14.3 | 0 | 0 | 110.8 | ||||
| 29 | K | 37.6 | Very low | 34.9 | Very low | 211 Ų | 211 | 155.7 Ų | 155.7 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -133.4 | 110.1 | 147.2 | -101.2 | 179.1 | -177.2 | 176.8 | 0 | 110.2 | ||||
| 30 | Q | 40.2 | Very low | 35.1 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -55.4 | 140 | 171.1 | -65.6 | 171.6 | 12.6 | 0 | 0 | 110.9 | ||||
| 31 | M | 32.3 | Very low | 35.4 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 80% | 0.803 | 75% | 0.751 | S | S | * | * | -167.8 | 115.7 | 129.7 | -103.2 | -175 | 111.5 | 0 | 0 | 112.4 | |||||
| 32 | K | 35.2 | Very low | 36 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | 60.7 | 89.5 | 151 | -63.3 | -174.9 | 179.9 | -179.6 | 0 | 118.7 | ||||
| 33 | N | 31.3 | Very low | 36.5 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 56% | 0.556 | 74% | 0.736 | S | S | * | * | trans | -63.3 | 130.4 | 166.2 | -167.8 | -4.3 | 0 | 0 | 0 | 113.1 | E35 | N33-E35 VanDerWaalsContact C-N 3.28Å; N33-E35 PolarHBondContact ND2-OE2 3.25Å; N33-E35 WeakPolarHBondContact OD1-CB 3.35Å; N33-E35 WeakPolarHBondContact OD1-CG 3.32Å; N33-E35 PolarHBondContact OD1-N 3.49Å | ||
| 34 | P | 36.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -84.8 | 12.9 | 169.4 | 33 | -31.1 | 0 | 0 | 0 | 114.1 | S36 | P34-S36 PolarHBondContact O-N 3.33Š| ||
| 35 | E | 37.3 | Very low | 36.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 47% | 0.472 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -63.8 | -8.5 | -177.9 | -88.6 | 174.9 | -166.6 | 0 | 0 | 116.6 | N33 F37 K39 | N33-E35 VanDerWaalsContact C-N 3.28Å; N33-E35 PolarHBondContact ND2-OE2 3.25Å; N33-E35 WeakPolarHBondContact OD1-CB 3.35Å; N33-E35 WeakPolarHBondContact OD1-CG 3.32Å; N33-E35 PolarHBondContact OD1-N 3.49Å; E35-F37 VanDerWaalsContact C-N 3.29Å; E35-F37 PolarHBondContact O-N 3.24Å; E35-K39 IonicContact OE2-NZ 3.8Å |
| 36 | S | 34.7 | Very low | 37.3 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -71.6 | -22.9 | -179.2 | -167.3 | 0 | 0 | 0 | 0 | 113.3 | P34 | P34-S36 PolarHBondContact O-N 3.33Å |
| 37 | F | 38.3 | Very low | 37.6 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -87.5 | -30.8 | -176.8 | -138.8 | -96.4 | 0 | 0 | 0 | 112.8 | E35 | E35-F37 VanDerWaalsContact C-N 3.29Å; E35-F37 PolarHBondContact O-N 3.24Å |
| 38 | S | 41.8 | Very low | 37.7 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.7 | -27.3 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | Q40 V42 | S38-Q40 PolarHBondContact O-N 3.24Å; S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.03Å |
| 39 | K | 38.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 55% | 0.548 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -74.4 | -23.2 | -178.4 | -69.7 | 178.2 | -175.5 | 172.4 | 0 | 113.6 | E35 I41 | E35-K39 IonicContact OE2-NZ 3.8Å; K39-I41 VanDerWaalsContact C-N 3.33Å; K39-I41 PolarHBondContact O-N 2.78Å |
| 40 | Q | 37 | Very low | 38.3 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -73.9 | -24.8 | -179 | -163.9 | 169 | 9.3 | 0 | 0 | 112.9 | S38 | S38-Q40 PolarHBondContact O-N 3.24Å |
| 41 | I | 42.6 | Very low | 38 | Very low | 135 Ų | 135 | 142 Ų | 142 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -89.4 | -27 | 179.1 | -58.6 | 176.9 | 0 | 0 | 0 | 111.4 | K39 | K39-I41 VanDerWaalsContact C-N 3.33Å; K39-I41 PolarHBondContact O-N 2.78Å |
| 42 | V | 41.8 | Very low | 38.5 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -83 | -19.9 | -173.7 | 177.6 | 0 | 0 | 0 | 0 | 113.6 | S38 R44 | S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.03Å; V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 3.34Å |
| 43 | L | 37.8 | Very low | 38.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 0.4 | -175.1 | -77.6 | 166.9 | 0 | 0 | 0 | 115.9 | ||
| 44 | R | 39.7 | Very low | 39.3 | Very low | 249 Ų | 249 | 137 Ų | 137 | 94% | 0.94 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 2.3 | 176.4 | -151.4 | 173.9 | -179 | -131.1 | 0.1 | 114.7 | V42 | V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 3.34Å |
| 45 | G | 33.8 | Very low | 39.5 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -123.3 | 98.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N47 | G45-N47 PolarHBondContact O-N 3Š|
| 46 | K | 40.9 | Very low | 40.2 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -68.7 | 124.1 | 171.9 | -107 | 173.9 | 175.9 | 172.6 | 0 | 110.1 | ||||
| 47 | N | 38.9 | Very low | 40.8 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | 54.5 | 87.4 | 152.9 | -76.8 | -38.2 | 0 | 0 | 0 | 118.9 | G45 | G45-N47 PolarHBondContact O-N 3Š| ||
| 48 | I | 38.6 | Very low | 41 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 68% | 0.677 | 69% | 0.69 | S | S | * | * | trans | -138.3 | 110.2 | 138.6 | -58.1 | -178.3 | 0 | 0 | 0 | 109.3 | R50 | I48-R50 HydrophobicContact CG2-CB 4.25Å; I48-R50 PolarHBondContact O-N 3.48Å | ||
| 49 | K | 45.9 | Very low | 41.2 | Very low | 205 Ų | 205 | 134.7 Ų | 134.7 | 89% | 0.891 | 68% | 0.682 | S | S | * | * | trans | -67.2 | 113.5 | 161.7 | -170.4 | -178.8 | -171.2 | -179.4 | 0 | 106.7 | ||||
| 50 | R | 40.2 | Very low | 41.6 | Very low | 196 Ų | 196 | 134 Ų | 134 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -172.4 | 155.1 | 164.8 | -107.4 | 172.1 | -81.4 | -177.2 | 1.3 | 113.8 | I48 | I48-R50 HydrophobicContact CG2-CB 4.25Å; I48-R50 PolarHBondContact O-N 3.48Å | ||
| 51 | S | 34.7 | Very low | 41.9 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 59% | 0.587 | 67% | 0.672 | S | S | * | * | trans | -69 | 153.5 | -164.7 | 50.4 | 0 | 0 | 0 | 0 | 115 | G53 | S51-G53 PolarHBondContact O-N 3.22Š| ||
| 52 | P | 43.3 | Very low | 42 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 92% | 0.916 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 94.2 | -177.5 | 34 | -28 | 0 | 0 | 0 | 109.4 | ||
| 53 | G | 43.4 | Very low | 42.1 | Very low | 58 Ų | 58 | 134.3 Ų | 134.3 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.4 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S51 | S51-G53 PolarHBondContact O-N 3.22Š|
| 54 | E | 40.3 | Very low | 42.5 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -114.5 | -13.4 | -166.3 | -69.6 | -176.8 | 160.6 | 0 | 0 | 115 | ||
| 55 | D | 40.7 | Very low | 42.8 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 45% | 0.449 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -84.1 | -17.3 | -173.8 | -69.6 | -33.6 | 0 | 0 | 0 | 113.7 | E59 | D55-E59 PolarHBondContact O-N 3.43Å |
| 56 | T | 50.8 | Low | 43.5 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 36% | 0.356 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -77.2 | -22.3 | -175.4 | 41.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 57 | E | 48 | Very low | 43.9 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.5 | -27.2 | 176.5 | -64.6 | -174.9 | 176.3 | 0 | 0 | 111.3 | E60 E61 | E57-E60 PolarHBondContact O-N 2.88Å; E57-E61 PolarHBondContact O-N 3.47Å |
| 58 | K | 43 | Very low | 44.1 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 57% | 0.574 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.2 | -36.3 | 177 | -70.1 | 179.8 | -179.6 | 170.4 | 0 | 113 | E60 E61 E62 | K58-E60 VanDerWaalsContact C-N 3.25Å; K58-E60 PolarHBondContact O-N 3.39Å; K58-E61 PolarHBondContact O-N 3.3Å; K58-E62 PolarHBondContact O-N 3.05Å |
| 59 | E | 45.2 | Very low | 44.6 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 43% | 0.425 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.5 | -29.8 | 173.1 | -73.9 | -174.6 | 175 | 0 | 0 | 112.3 | D55 E62 E63 R91 | D55-E59 PolarHBondContact O-N 3.43Å; E59-E62 PolarHBondContact O-N 3.49Å; E59-E63 PolarHBondContact O-N 3.4Å; E59-R91 IonicContact OE2-CZ 2.84Å; E59-R91 IonicContact OE2-NH1 3.4Å; E59-R91 PolarHBondContact OE2-NH1 3.32Å; E59-R91 IonicContact OE2-NH2 3.97Å; E59-R91 PolarHBondContact OE2-NH2 3.03Å; E59-R91 VanDerWaalsContact OE2-NH2 3.09Å |
| 60 | E | 47.7 | Very low | 45.1 | Very low | 113 Ų | 113 | 133 Ų | 133 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.1 | -30.9 | 178.3 | -70.1 | -174.2 | -175.6 | 0 | 0 | 112.3 | E57 K58 | E57-E60 PolarHBondContact O-N 2.88Å; K58-E60 VanDerWaalsContact C-N 3.25Å; K58-E60 PolarHBondContact O-N 3.39Å |
| 61 | E | 42.8 | Very low | 45.8 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -78.3 | -26.7 | 173.6 | -75.2 | -164.8 | -179.8 | 0 | 0 | 113.8 | E57 K58 R65 | E57-E61 PolarHBondContact O-N 3.47Å; K58-E61 PolarHBondContact O-N 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.14Å; E61-R65 PolarHBondContact O-NE 2.71Å; E61-R65 IonicContact OE2-CZ 2.66Å; E61-R65 IonicContact OE2-NH2 3.08Å; E61-R65 PolarHBondContact OE2-NH2 3.17Å |
| 62 | E | 43.5 | Very low | 46.6 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.7 | -39.2 | 178.4 | -76.9 | -175.9 | 171.8 | 0 | 0 | 111.8 | K58 E59 E64 R65 | K58-E62 PolarHBondContact O-N 3.05Å; E59-E62 PolarHBondContact O-N 3.49Å; E62-E64 VanDerWaalsContact C-N 3.28Å; E62-E64 PolarHBondContact O-N 3.09Å; E62-R65 PolarHBondContact O-N 3.12Å |
| 63 | E | 45.3 | Very low | 46.7 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 71% | 0.71 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.9 | -19.4 | 177.3 | -77.6 | -167.9 | 176.7 | 0 | 0 | 114 | E59 | E59-E63 PolarHBondContact O-N 3.4Å |
| 64 | E | 45.6 | Very low | 46.9 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -14.5 | 174.4 | -77 | -160.9 | 157.3 | 0 | 0 | 113.9 | E62 | E62-E64 VanDerWaalsContact C-N 3.28Å; E62-E64 PolarHBondContact O-N 3.09Å |
| 65 | R | 46.8 | Very low | 47.5 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -10.7 | -176.8 | -71.7 | 177 | -149.2 | -113.4 | 7.8 | 114.8 | E61 E62 E67 | E61-R65 WeakPolarHBondContact O-CG 3.14Å; E61-R65 PolarHBondContact O-NE 2.71Å; E61-R65 IonicContact OE2-CZ 2.66Å; E61-R65 IonicContact OE2-NH2 3.08Å; E61-R65 PolarHBondContact OE2-NH2 3.17Å; E62-R65 PolarHBondContact O-N 3.12Å; R65-E67 PolarHBondContact O-N 3.15Å |
| 66 | E | 47.7 | Very low | 47.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.4 | 38.7 | -176.2 | -67.2 | -164.6 | 165.8 | 0 | 0 | 115.4 | ||
| 67 | E | 49.9 | Very low | 48 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -136.9 | 59.4 | 162.7 | -76.1 | -163.4 | -152.1 | 0 | 0 | 111.4 | R65 | R65-E67 PolarHBondContact O-N 3.15Š| ||
| 68 | E | 43.2 | Very low | 48 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 70% | 0.701 | S | S | * | * | trans | -90.9 | 109.2 | 156 | -80.9 | -171.1 | 161.4 | 0 | 0 | 109.2 | ||||
| 69 | D | 47.7 | Very low | 48.6 | Very low | 85 Ų | 85 | 147.3 Ų | 147.3 | 46% | 0.455 | 72% | 0.715 | S | S | . | * | trans | -74.6 | 135.7 | 166.2 | -174.6 | -15.3 | 0 | 0 | 0 | 108.1 | N71 R75 | D69-N71 PolarHBondContact O-N 2.86Å; D69-R75 IonicContact OD2-CZ 3.09Å; D69-R75 IonicContact OD2-NH2 3.68Å; D69-R75 PolarHBondContact OD2-NH2 3.01Å | ||
| 70 | E | 57.3 | Low | 48.9 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -64.5 | 10.7 | -176.7 | -147.6 | -166.5 | 175.4 | 0 | 0 | 114.1 | ||
| 71 | N | 54.7 | Low | 49.4 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -132 | 93.7 | 176 | -65.4 | -67.8 | 0 | 0 | 0 | 108.9 | D69 L73 | D69-N71 PolarHBondContact O-N 2.86Å; N71-L73 VanDerWaalsContact C-N 3.28Å; N71-L73 PolarHBondContact O-N 3.4Å |
| 72 | G | 50.7 | Low | 50.4 | Low | 84 Ų | 84 | 158.5 Ų | 158.5 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -60.2 | 68.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 73 | L | 47.1 | Very low | 51.3 | Low | 146 Ų | 146 | 161.8 Ų | 161.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -113.3 | 127.6 | 169.1 | -74.6 | 170.3 | 0 | 0 | 0 | 110.2 | N71 R75 | N71-L73 VanDerWaalsContact C-N 3.28Å; N71-L73 PolarHBondContact O-N 3.4Å; L73-R75 PolarHBondContact O-N 3.06Å | ||
| 74 | P | 46 | Very low | 52.5 | Low | 120 Ų | 120 | 157.8 Ų | 157.8 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -67.1 | 108.9 | -179.5 | 26.5 | -32.3 | 0 | 0 | 0 | 109.5 | R76 | P74-R76 PolarHBondContact O-N 3.36Š| ||
| 75 | R | 52.9 | Low | 54.3 | Low | 167 Ų | 167 | 153.3 Ų | 153.3 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | -59.2 | 114.8 | 173.1 | -69.9 | -175.1 | 174.8 | -175.1 | 0.3 | 108.1 | D69 L73 R77 | D69-R75 IonicContact OD2-CZ 3.09Å; D69-R75 IonicContact OD2-NH2 3.68Å; D69-R75 PolarHBondContact OD2-NH2 3.01Å; L73-R75 PolarHBondContact O-N 3.06Å; R75-R77 PolarHBondContact O-N 3.01Å | ||
| 76 | R | 50.3 | Low | 56.2 | Low | 245 Ų | 245 | 152.8 Ų | 152.8 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | -46.4 | 124.1 | 177.6 | -72.3 | -165 | 169.6 | -166.7 | -1.8 | 109.3 | P74 G78 | P74-R76 PolarHBondContact O-N 3.36Å; R76-G78 PolarHBondContact O-N 2.94Å | ||
| 77 | R | 52.2 | Low | 58.1 | Low | 259 Ų | 259 | 149.6 Ų | 149.6 | 98% | 0.977 | 73% | 0.727 | S | S | * | * | trans | -61.7 | 74.7 | 176.1 | -74.2 | 175.8 | 173.8 | 169.7 | -3.1 | 110.4 | R75 | R75-R77 PolarHBondContact O-N 3.01Š| ||
| 78 | G | 49.3 | Very low | 59.9 | Low | 54 Ų | 54 | 148.9 Ų | 148.9 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | trans | -75.9 | 137.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | R76 R80 | R76-G78 PolarHBondContact O-N 2.94Å; G78-R80 PolarHBondContact O-N 3.46Å | ||
| 79 | L | 54.6 | Low | 62.2 | Low | 164 Ų | 164 | 143.5 Ų | 143.5 | 86% | 0.859 | 69% | 0.693 | S | S | * | * | trans | -59.2 | 71.8 | 171.2 | -176.2 | 66.7 | 0 | 0 | 0 | 110 | K81 | L79-K81 PolarHBondContact O-N 2.88Š| ||
| 80 | R | 52.4 | Low | 64.4 | Low | 216 Ų | 216 | 145.2 Ų | 145.2 | 82% | 0.815 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 103 | 170.2 | -85 | -165 | 153.7 | -171.7 | -4.2 | 105.7 | G78 K82 | G78-R80 PolarHBondContact O-N 3.46Å; R80-K82 PolarHBondContact O-N 3.19Å | ||
| 81 | K | 57.9 | Low | 66.1 | Low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -57.2 | 86.3 | 162.4 | -68.4 | 179.9 | 178.8 | 176.3 | 0 | 106.9 | L79 K83 | L79-K81 PolarHBondContact O-N 2.88Å; K81-K83 PolarHBondContact O-N 3.39Å | ||
| 82 | K | 63.3 | Low | 68 | Low | 151 Ų | 151 | 140.8 Ų | 140.8 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | trans | -53 | 112.5 | 170.1 | -93.5 | -175.7 | 174.3 | -178.7 | 0 | 105 | R80 T84 | R80-K82 PolarHBondContact O-N 3.19Å; K82-T84 PolarHBondContact O-N 3.45Å | ||
| 83 | K | 62.9 | Low | 70.2 | Confident | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 65% | 0.653 | S | S | * | * | trans | -58.7 | 110.7 | 172.6 | -72.4 | 179 | 179.8 | 176.4 | 0 | 105.1 | K81 S85 | K81-K83 PolarHBondContact O-N 3.39Å; K83-S85 PolarHBondContact O-N 3.23Å; K83-S85 VanDerWaalsContact O-N 3.15Å | ||
| 84 | T | 69.1 | Low | 72.5 | Confident | 67 Ų | 67 | 141.3 Ų | 141.3 | 41% | 0.411 | 64% | 0.644 | S | S | . | * | trans | -54.3 | 124.5 | 177.6 | 40.7 | 0 | 0 | 0 | 0 | 107.8 | K82 M89 | K82-T84 PolarHBondContact O-N 3.45Å; T84-M89 WeakPolarHBondContact O-CE 3.45Å; T84-M89 WeakPolarHBondContact OG1-CG 3.28Å | ||
| 85 | S | 84.1 | Confident | 75 | Confident | 66 Ų | 66 | 142.2 Ų | 142.2 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | trans | -55 | 145.7 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | K83 I87 R88 M89 | K83-S85 PolarHBondContact O-N 3.23Å; K83-S85 VanDerWaalsContact O-N 3.15Å; S85-I87 PolarHBondContact O-N 3.27Å; S85-I87 VanDerWaalsContact O-N 3.12Å; S85-R88 WeakPolarHBondContact O-CA 3.48Å; S85-R88 WeakPolarHBondContact O-CB 3.43Å; S85-R88 PolarHBondContact O-N 2.94Å; S85-M89 PolarHBondContact O-N 2.96Å | ||
| 86 | K | 86.3 | Confident | 77.1 | Confident | 163 Ų | 163 | 142.1 Ų | 142.1 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -52.1 | -37.3 | 178.3 | -72.1 | -177.9 | -179.8 | 178.7 | 0 | 111.4 | M89 E90 | K86-M89 HydrophobicContact CG-CE 4.45Å; K86-M89 PolarHBondContact O-N 2.93Å; K86-E90 WeakPolarHBondContact O-CG 3.48Å; K86-E90 PolarHBondContact O-N 2.72Å |
| 87 | I | 87.1 | Confident | 79.4 | Confident | 107 Ų | 107 | 136.4 Ų | 136.4 | 55% | 0.549 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 176.5 | -59 | 172.6 | 0 | 0 | 0 | 111.1 | S85 M89 E90 R91 | S85-I87 PolarHBondContact O-N 3.27Å; S85-I87 VanDerWaalsContact O-N 3.12Å; I87-M89 VanDerWaalsContact C-N 3.33Å; I87-M89 PolarHBondContact O-N 3.06Å; I87-E90 PolarHBondContact O-N 2.98Å; I87-R91 PolarHBondContact O-N 3.02Å |
| 88 | R | 89 | Confident | 81.6 | Confident | 136 Ų | 136 | 128.9 Ų | 128.9 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.7 | -40.7 | 176.3 | -174.2 | 171.9 | 179.9 | 155.1 | 2.4 | 111.4 | S85 R91 I92 | S85-R88 WeakPolarHBondContact O-CA 3.48Å; S85-R88 WeakPolarHBondContact O-CB 3.43Å; S85-R88 PolarHBondContact O-N 2.94Å; R88-R91 PolarHBondContact O-N 3.32Å; R88-I92 HydrophobicContact CG-CD1 4.2Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 3.44Å |
| 89 | M | 90.9 | Very high | 83.9 | Confident | 80 Ų | 80 | 128.1 Ų | 128.1 | 39% | 0.394 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | 175.2 | -75.6 | -166.7 | -79.5 | 0 | 0 | 112.7 | T84 S85 K86 I87 I92 K93 | T84-M89 WeakPolarHBondContact O-CE 3.45Å; T84-M89 WeakPolarHBondContact OG1-CG 3.28Å; S85-M89 PolarHBondContact O-N 2.96Å; K86-M89 HydrophobicContact CG-CE 4.45Å; K86-M89 PolarHBondContact O-N 2.93Å; I87-M89 VanDerWaalsContact C-N 3.33Å; I87-M89 PolarHBondContact O-N 3.06Å; M89-I92 PolarHBondContact O-N 2.98Å; M89-K93 VanDerWaalsContact O-CG 3.29Å; M89-K93 WeakPolarHBondContact O-CG 3.46Å; M89-K93 PolarHBondContact O-N 3.01Å |
| 90 | E | 93.4 | Very high | 86 | Confident | 121 Ų | 121 | 124.7 Ų | 124.7 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.1 | -43.9 | 175.7 | -75.4 | 172.3 | -170 | 0 | 0 | 112.2 | K86 I87 I92 K93 F94 | K86-E90 WeakPolarHBondContact O-CG 3.48Å; K86-E90 PolarHBondContact O-N 2.72Å; I87-E90 PolarHBondContact O-N 2.98Å; E90-I92 VanDerWaalsContact C-N 3.33Å; E90-I92 PolarHBondContact O-N 3.04Å; E90-K93 PolarHBondContact O-N 2.66Å; E90-F94 WeakPolarHBondContact O-CB 3.44Å; E90-F94 PolarHBondContact O-N 3.24Å |
| 91 | R | 93.7 | Very high | 88.2 | Confident | 121 Ų | 121 | 116 Ų | 116 | 46% | 0.457 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 173.6 | -72.8 | -174.8 | -176.3 | -170.3 | 0.5 | 111.5 | E59 I87 R88 F94 R95 | E59-R91 IonicContact OE2-CZ 2.84Å; E59-R91 IonicContact OE2-NH1 3.4Å; E59-R91 PolarHBondContact OE2-NH1 3.32Å; E59-R91 IonicContact OE2-NH2 3.97Å; E59-R91 PolarHBondContact OE2-NH2 3.03Å; E59-R91 VanDerWaalsContact OE2-NH2 3.09Å; I87-R91 PolarHBondContact O-N 3.02Å; R88-R91 PolarHBondContact O-N 3.32Å; R91-F94 PolarHBondContact O-N 2.99Å; R91-R95 WeakPolarHBondContact O-CG 3.29Å; R91-R95 PolarHBondContact O-N 3.42Å |
| 92 | I | 94.7 | Very high | 90.1 | Very high | 95 Ų | 95 | 114.8 Ų | 114.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.9 | -67.6 | 165.1 | 0 | 0 | 0 | 111.3 | R88 M89 E90 F94 R95 R96 | R88-I92 HydrophobicContact CG-CD1 4.2Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 3.44Å; M89-I92 PolarHBondContact O-N 2.98Å; E90-I92 VanDerWaalsContact C-N 3.33Å; E90-I92 PolarHBondContact O-N 3.04Å; I92-F94 VanDerWaalsContact C-N 3.31Å; I92-F94 PolarHBondContact O-N 2.93Å; I92-R95 PolarHBondContact O-N 3.25Å; I92-R96 WeakPolarHBondContact O-CB 3.44Å; I92-R96 PolarHBondContact O-N 2.95Å |
| 93 | K | 95.9 | Very high | 91.8 | Very high | 115 Ų | 115 | 111.5 Ų | 111.5 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 177 | -75.4 | 172.8 | -177 | 178.9 | 0 | 111.4 | M89 E90 R96 Q97 | M89-K93 VanDerWaalsContact O-CG 3.29Å; M89-K93 WeakPolarHBondContact O-CG 3.46Å; M89-K93 PolarHBondContact O-N 3.01Å; E90-K93 PolarHBondContact O-N 2.66Å; K93-R96 PolarHBondContact O-N 3.25Å; K93-Q97 WeakPolarHBondContact O-CG 3.5Å; K93-Q97 PolarHBondContact O-N 3.5Å |
| 94 | F | 96.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 108.8 Ų | 108.8 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -50.5 | 177.9 | -178.1 | -95.9 | 0 | 0 | 0 | 111.7 | E90 R91 I92 R96 Q97 E98 | E90-F94 WeakPolarHBondContact O-CB 3.44Å; E90-F94 PolarHBondContact O-N 3.24Å; R91-F94 PolarHBondContact O-N 2.99Å; I92-F94 VanDerWaalsContact C-N 3.31Å; I92-F94 PolarHBondContact O-N 2.93Å; F94-R96 PolarHBondContact O-N 3.18Å; F94-Q97 WeakPolarHBondContact O-CB 3.48Å; F94-Q97 PolarHBondContact O-N 3.21Å; F94-E98 PolarHBondContact O-N 3.42Å |
| 95 | R | 97.8 | Very high | 94.9 | Very high | 139 Ų | 139 | 111 Ų | 111 | 53% | 0.525 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.3 | -39.7 | 175.9 | -71.5 | -178.9 | 178.2 | -170.9 | 1.5 | 112.1 | R91 I92 E98 A99 | R91-R95 WeakPolarHBondContact O-CG 3.29Å; R91-R95 PolarHBondContact O-N 3.42Å; I92-R95 PolarHBondContact O-N 3.25Å; R95-E98 PolarHBondContact O-N 3.48Å; R95-A99 WeakPolarHBondContact O-CB 3.5Å; R95-A99 PolarHBondContact O-N 3.13Å |
| 96 | R | 98.1 | Very high | 95.6 | Very high | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 175.7 | -167.5 | 176.7 | 74.3 | -173.4 | 6.2 | 112.3 | I92 K93 F94 A99 N100 | I92-R96 WeakPolarHBondContact O-CB 3.44Å; I92-R96 PolarHBondContact O-N 2.95Å; K93-R96 PolarHBondContact O-N 3.25Å; F94-R96 PolarHBondContact O-N 3.18Å; R96-A99 PolarHBondContact O-N 3.33Å; R96-N100 WeakPolarHBondContact O-CB 3.49Å; R96-N100 PolarHBondContact O-N 2.98Å; R96-N100 PolarHBondContact O-OD1 3.44Å |
| 97 | Q | 97.9 | Very high | 96.2 | Very high | 125 Ų | 125 | 111.4 Ų | 111.4 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 176.6 | -75.1 | 173.8 | -6.7 | 0 | 0 | 111.8 | K93 F94 N100 A101 | K93-Q97 WeakPolarHBondContact O-CG 3.5Å; K93-Q97 PolarHBondContact O-N 3.5Å; F94-Q97 WeakPolarHBondContact O-CB 3.48Å; F94-Q97 PolarHBondContact O-N 3.21Å; Q97-N100 PolarHBondContact O-N 2.89Å; Q97-A101 WeakPolarHBondContact O-CB 3.36Å; Q97-A101 PolarHBondContact O-N 3.46Å |
| 98 | E | 98.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 111.4 Ų | 111.4 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 176.6 | -172 | -175.4 | 174.5 | 0 | 0 | 111.8 | F94 R95 N100 A101 R102 | F94-E98 PolarHBondContact O-N 3.42Å; R95-E98 PolarHBondContact O-N 3.48Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 2.94Å; E98-A101 WeakPolarHBondContact O-CB 3.44Å; E98-A101 PolarHBondContact O-N 3.44Å; E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 3.21Å |
| 99 | A | 98.2 | Very high | 97.2 | Very high | 39 Ų | 39 | 106.9 Ų | 106.9 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R95 R96 A101 R102 E103 | R95-A99 WeakPolarHBondContact O-CB 3.5Å; R95-A99 PolarHBondContact O-N 3.13Å; R96-A99 PolarHBondContact O-N 3.33Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.17Å; A99-R102 PolarHBondContact O-N 3.38Å; A99-E103 PolarHBondContact O-N 2.97Å |
| 100 | N | 98.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 107.7 Ų | 107.7 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 176.2 | -71.5 | -7.4 | 0 | 0 | 0 | 112.6 | R96 Q97 E98 R104 | R96-N100 WeakPolarHBondContact O-CB 3.49Å; R96-N100 PolarHBondContact O-N 2.98Å; R96-N100 PolarHBondContact O-OD1 3.44Å; Q97-N100 PolarHBondContact O-N 2.89Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 PolarHBondContact O-N 2.94Å; N100-R104 WeakPolarHBondContact O-CG 3.36Å; N100-R104 PolarHBondContact O-N 3.45Å; N100-R104 VanDerWaalsContact O-N 3.1Å; N100-R104 PolarHBondContact O-NE 3.47Å |
| 101 | A | 98.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 104.3 Ų | 104.3 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q97 E98 A99 R104 N105 | Q97-A101 WeakPolarHBondContact O-CB 3.36Å; Q97-A101 PolarHBondContact O-N 3.46Å; E98-A101 WeakPolarHBondContact O-CB 3.44Å; E98-A101 PolarHBondContact O-N 3.44Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.17Å; A101-R104 PolarHBondContact O-N 3.31Å; A101-N105 PolarHBondContact O-N 3.1Å; A101-N105 PolarHBondContact O-OD1 3.44Å |
| 102 | R | 98.6 | Very high | 98 | Very high | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 175.6 | -71.6 | -170.9 | -70.5 | 144.5 | -5.2 | 112.4 | E98 A99 R104 N105 R106 | E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 3.21Å; A99-R102 PolarHBondContact O-N 3.38Å; R102-R104 PolarHBondContact O-N 3.43Å; R102-N105 PolarHBondContact O-N 3.45Å; R102-R106 PolarHBondContact O-N 3.35Å |
| 103 | E | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 178.8 | -174.6 | 57.4 | -162.6 | 0 | 0 | 112.2 | A99 N105 R106 M107 | A99-E103 PolarHBondContact O-N 2.97Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-N105 PolarHBondContact O-N 3.24Å; E103-R106 WeakPolarHBondContact O-CB 3.45Å; E103-R106 PolarHBondContact O-N 3.1Å; E103-R106 IonicContact OE1-CZ 2.88Å; E103-R106 IonicContact OE1-NE 3.51Å; E103-R106 PolarHBondContact OE1-NE 3.12Å; E103-R106 VanDerWaalsContact OE1-NE 3.12Å; E103-R106 IonicContact OE1-NH2 3.67Å; E103-R106 PolarHBondContact OE1-NH2 2.94Å; E103-R106 IonicContact OE2-CZ 2.78Å; E103-R106 IonicContact OE2-NE 3.78Å; E103-R106 PolarHBondContact OE2-NE 3.39Å; E103-R106 IonicContact OE2-NH2 2.83Å; E103-M107 HydrophobicContact CG-CG 4.43Å; E103-M107 WeakPolarHBondContact O-CB 3.34Å; E103-M107 WeakPolarHBondContact O-CG 3.49Å; E103-M107 PolarHBondContact O-N 3.27Å |
| 104 | R | 98.6 | Very high | 98.3 | Very high | 151 Ų | 151 | 96.8 Ų | 96.8 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 171.8 | -77.1 | -175.4 | -67.9 | 145.9 | -3.4 | 111.4 | N100 A101 R102 R106 M107 H108 | N100-R104 WeakPolarHBondContact O-CG 3.36Å; N100-R104 PolarHBondContact O-N 3.45Å; N100-R104 VanDerWaalsContact O-N 3.1Å; N100-R104 PolarHBondContact O-NE 3.47Å; A101-R104 PolarHBondContact O-N 3.31Å; R102-R104 PolarHBondContact O-N 3.43Å; R104-R106 VanDerWaalsContact C-N 3.34Å; R104-R106 PolarHBondContact O-N 2.99Å; R104-M107 PolarHBondContact O-N 3.21Å; R104-H108 PolarHBondContact O-CD2 3.08Å; R104-H108 PolarHBondContact O-N 2.9Å |
| 105 | N | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 92.6 Ų | 92.6 | 61% | 0.61 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 177.4 | -69.6 | 1.5 | 0 | 0 | 0 | 112 | A101 R102 E103 M107 H108 G109 | A101-N105 PolarHBondContact O-N 3.1Å; A101-N105 PolarHBondContact O-OD1 3.44Å; R102-N105 PolarHBondContact O-N 3.45Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-N105 PolarHBondContact O-N 3.24Å; N105-M107 VanDerWaalsContact C-N 3.34Å; N105-M107 PolarHBondContact O-N 3.04Å; N105-H108 PolarHBondContact O-N 2.88Å; N105-G109 PolarHBondContact O-N 3.49Å; N105-G109 VanDerWaalsContact O-N 3.1Å |
| 106 | R | 98.7 | Very high | 98.3 | Very high | 171 Ų | 171 | 90.1 Ų | 90.1 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.3 | -45.4 | 173.7 | -164.9 | -177.8 | 85.4 | 139.5 | 3.3 | 111.6 | R102 E103 R104 G109 L110 | R102-R106 PolarHBondContact O-N 3.35Å; E103-R106 WeakPolarHBondContact O-CB 3.45Å; E103-R106 PolarHBondContact O-N 3.1Å; E103-R106 IonicContact OE1-CZ 2.88Å; E103-R106 IonicContact OE1-NE 3.51Å; E103-R106 PolarHBondContact OE1-NE 3.12Å; E103-R106 VanDerWaalsContact OE1-NE 3.12Å; E103-R106 IonicContact OE1-NH2 3.67Å; E103-R106 PolarHBondContact OE1-NH2 2.94Å; E103-R106 IonicContact OE2-CZ 2.78Å; E103-R106 IonicContact OE2-NE 3.78Å; E103-R106 PolarHBondContact OE2-NE 3.39Å; E103-R106 IonicContact OE2-NH2 2.83Å; R104-R106 VanDerWaalsContact C-N 3.34Å; R104-R106 PolarHBondContact O-N 2.99Å; R106-G109 PolarHBondContact O-N 3.42Å; R106-L110 PolarHBondContact O-N 3.33Å; R106-L110 VanDerWaalsContact O-N 3.08Å |
| 107 | M | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 84.8 Ų | 84.8 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.9 | -35 | 178.5 | -73.2 | -55.9 | -54.4 | 0 | 0 | 113 | E103 R104 N105 L110 N111 | E103-M107 HydrophobicContact CG-CG 4.43Å; E103-M107 WeakPolarHBondContact O-CB 3.34Å; E103-M107 WeakPolarHBondContact O-CG 3.49Å; E103-M107 PolarHBondContact O-N 3.27Å; R104-M107 PolarHBondContact O-N 3.21Å; N105-M107 VanDerWaalsContact C-N 3.34Å; N105-M107 PolarHBondContact O-N 3.04Å; M107-L110 HydrophobicContact CE-CD2 4.27Å; M107-L110 PolarHBondContact O-N 2.87Å; M107-N111 VanDerWaalsContact O-CG 3.28Å; M107-N111 PolarHBondContact O-N 3.36Å; M107-N111 PolarHBondContact O-ND2 3.19Å; M107-N111 VanDerWaalsContact O-ND2 3.14Å |
| 108 | H | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 171.5 | -73.4 | -58.8 | 0 | 0 | 0 | 110.8 | R104 N105 L110 N111 D112 | R104-H108 PolarHBondContact O-CD2 3.08Å; R104-H108 PolarHBondContact O-N 2.9Å; N105-H108 PolarHBondContact O-N 2.88Å; H108-L110 VanDerWaalsContact C-N 3.3Å; H108-L110 PolarHBondContact O-N 3.08Å; H108-N111 PolarHBondContact O-N 3.28Å; H108-N111 VanDerWaalsContact O-N 3.08Å; H108-D112 VanDerWaalsContact O-CG 3.23Å; H108-D112 PolarHBondContact O-N 3.01Å |
| 109 | G | 98.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N105 R106 D112 A113 | N105-G109 PolarHBondContact O-N 3.49Å; N105-G109 VanDerWaalsContact O-N 3.1Å; R106-G109 PolarHBondContact O-N 3.42Å; G109-D112 PolarHBondContact O-N 3.19Å; G109-A113 PolarHBondContact O-N 3.17Å |
| 110 | L | 98.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 84 Ų | 84 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 175.1 | -177.9 | 142.2 | 0 | 0 | 0 | 112.6 | R106 M107 H108 D112 A113 L114 | R106-L110 PolarHBondContact O-N 3.33Å; R106-L110 VanDerWaalsContact O-N 3.08Å; M107-L110 HydrophobicContact CE-CD2 4.27Å; M107-L110 PolarHBondContact O-N 2.87Å; H108-L110 VanDerWaalsContact C-N 3.3Å; H108-L110 PolarHBondContact O-N 3.08Å; L110-D112 VanDerWaalsContact C-N 3.34Å; L110-A113 PolarHBondContact O-N 2.88Å; L110-L114 PolarHBondContact O-N 3.29Å |
| 111 | N | 98.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 80 Ų | 80 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 177.8 | -70.1 | -35.8 | 0 | 0 | 0 | 111.4 | M107 H108 L114 D115 K132 | M107-N111 VanDerWaalsContact O-CG 3.28Å; M107-N111 PolarHBondContact O-N 3.36Å; M107-N111 PolarHBondContact O-ND2 3.19Å; M107-N111 VanDerWaalsContact O-ND2 3.14Å; H108-N111 PolarHBondContact O-N 3.28Å; H108-N111 VanDerWaalsContact O-N 3.08Å; N111-L114 PolarHBondContact O-N 3.14Å; N111-D115 PolarHBondContact O-N 2.99Å; N111-K132 PolarHBondContact OD1-NZ 3.38Å |
| 112 | D | 98.3 | Very high | 97.6 | Very high | 94 Ų | 94 | 79.7 Ų | 79.7 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.3 | -65.5 | -19.2 | 0 | 0 | 0 | 111.2 | H108 G109 L110 L114 D115 N116 | H108-D112 VanDerWaalsContact O-CG 3.23Å; H108-D112 PolarHBondContact O-N 3.01Å; G109-D112 PolarHBondContact O-N 3.19Å; L110-D112 VanDerWaalsContact C-N 3.34Å; D112-L114 VanDerWaalsContact C-N 3.35Å; D112-L114 PolarHBondContact O-N 3.02Å; D112-D115 PolarHBondContact O-N 3.2Å; D112-N116 PolarHBondContact O-N 2.91Å; D112-N116 PolarHBondContact O-ND2 3.26Å |
| 113 | A | 98.6 | Very high | 97 | Very high | 60 Ų | 60 | 72.9 Ų | 72.9 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | G109 L110 N116 L117 | G109-A113 PolarHBondContact O-N 3.17Å; L110-A113 PolarHBondContact O-N 2.88Å; A113-N116 PolarHBondContact O-N 3.27Å; A113-L117 PolarHBondContact O-N 3.48Å |
| 114 | L | 98.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 175.6 | -176.2 | 68.5 | 0 | 0 | 0 | 112 | L110 N111 D112 N116 L117 R118 K132 T135 | L110-L114 PolarHBondContact O-N 3.29Å; N111-L114 PolarHBondContact O-N 3.14Å; D112-L114 VanDerWaalsContact C-N 3.35Å; D112-L114 PolarHBondContact O-N 3.02Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-L117 HydrophobicContact CD1-CD2 4.39Å; L114-L117 WeakPolarHBondContact O-CB 3.48Å; L114-L117 PolarHBondContact O-N 3.44Å; L114-R118 WeakPolarHBondContact O-CG 3.46Å; L114-R118 PolarHBondContact O-N 2.88Å; L114-K132 HydrophobicContact CD2-CB 4.06Å; L114-K132 HydrophobicContact CD2-CD 4.06Å; L114-K132 HydrophobicContact CD2-CG 3.62Å; L114-T135 HydrophobicContact CD1-CG2 3.92Å |
| 115 | D | 97.1 | Very high | 96 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -35.7 | 174.7 | -88.5 | -19.4 | 0 | 0 | 0 | 112.1 | N111 D112 R118 K119 K129 | N111-D115 PolarHBondContact O-N 2.99Å; D112-D115 PolarHBondContact O-N 3.2Å; D115-R118 WeakPolarHBondContact O-CB 3.2Å; D115-R118 PolarHBondContact O-N 3.29Å; D115-R118 IonicContact OD1-CZ 3.46Å; D115-R118 IonicContact OD1-NH1 2.99Å; D115-R118 PolarHBondContact OD1-NH1 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.44Å; D115-K119 PolarHBondContact O-N 3.09Å; D115-K129 VanDerWaalsContact CG-NZ 3.29Å; D115-K129 IonicContact OD1-NZ 3.62Å; D115-K129 PolarHBondContact OD1-NZ 2.93Å; D115-K129 VanDerWaalsContact OD1-NZ 3.09Å; D115-K129 IonicContact OD2-NZ 3.09Å; D115-K129 PolarHBondContact OD2-NZ 2.66Å |
| 116 | N | 97.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 71.4 Ų | 71.4 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 171.4 | -71.9 | -33.3 | 0 | 0 | 0 | 111.9 | D112 A113 L114 R118 K119 | D112-N116 PolarHBondContact O-N 2.91Å; D112-N116 PolarHBondContact O-ND2 3.26Å; A113-N116 PolarHBondContact O-N 3.27Å; L114-N116 VanDerWaalsContact C-N 3.33Å; N116-R118 VanDerWaalsContact C-N 3.33Å; N116-R118 PolarHBondContact O-N 3.01Å; N116-K119 WeakPolarHBondContact O-CB 3.5Å; N116-K119 PolarHBondContact O-N 3.17Å; N116-K119 PolarHBondContact OD1-NZ 3.4Å |
| 117 | L | 98.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 70 Ų | 70 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 172.4 | -179.9 | 61.8 | 0 | 0 | 0 | 111.5 | A113 L114 K119 V120 V121 T135 L136 A139 | A113-L117 PolarHBondContact O-N 3.48Å; L114-L117 HydrophobicContact CD1-CD2 4.39Å; L114-L117 WeakPolarHBondContact O-CB 3.48Å; L114-L117 PolarHBondContact O-N 3.44Å; L117-K119 PolarHBondContact O-N 3.2Å; L117-K119 VanDerWaalsContact O-N 3.17Å; L117-V120 HydrophobicContact CD1-CG2 4.09Å; L117-V120 WeakPolarHBondContact O-CG2 3.45Å; L117-V120 PolarHBondContact O-N 3.02Å; L117-V120 VanDerWaalsContact O-N 3.12Å; L117-V121 HydrophobicContact CD1-CG2 3.93Å; L117-V121 HydrophobicContact CG-CG2 4.08Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.27Å; L117-V121 PolarHBondContact O-N 3.46Å; L117-T135 HydrophobicContact CD2-CG2 4.08Å; L117-T135 HydrophobicContact CG-CG2 4.15Å; L117-L136 HydrophobicContact CD2-CD2 4.22Å; L117-A139 HydrophobicContact CD1-CB 4.07Å; L117-A139 HydrophobicContact CD2-CB 4.1Å; L117-A139 HydrophobicContact CG-CB 4.36Å |
| 118 | R | 97.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 72.5 Ų | 72.5 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.3 | -33.6 | 177.4 | -72.3 | 178.3 | 179.6 | 107.8 | 2.2 | 113 | L114 D115 N116 V120 Y124 L130 T135 | L114-R118 WeakPolarHBondContact O-CG 3.46Å; L114-R118 PolarHBondContact O-N 2.88Å; D115-R118 WeakPolarHBondContact O-CB 3.2Å; D115-R118 PolarHBondContact O-N 3.29Å; D115-R118 IonicContact OD1-CZ 3.46Å; D115-R118 IonicContact OD1-NH1 2.99Å; D115-R118 PolarHBondContact OD1-NH1 3.25Å; N116-R118 VanDerWaalsContact C-N 3.33Å; N116-R118 PolarHBondContact O-N 3.01Å; R118-V120 VanDerWaalsContact C-N 3.31Å; R118-V120 PolarHBondContact O-N 3.45Å; R118-Y124 HydrophobicContact CB-CD2 4.14Å; R118-Y124 HydrophobicContact CB-CE2 4.31Å; R118-Y124 WeakPolarHBondContact O-CB 3.18Å; R118-Y124 WeakPolarHBondContact O-CD2 3.44Å; R118-L130 PolarHBondContact NE-O 2.98Å; R118-L130 PolarHBondContact NH2-O 2.77Å; R118-T135 HydrophobicContact CG-CG2 3.61Å; R118-T135 PolarHBondContact NE-OG1 3.32Å |
| 119 | K | 96 | Very high | 94.2 | Very high | 114 Ų | 114 | 73 Ų | 73 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.2 | -27.3 | -178.6 | -65.2 | 169.5 | -170.1 | 166.4 | 0 | 113.3 | D115 N116 L117 Y124 | D115-K119 WeakPolarHBondContact O-CG 3.44Å; D115-K119 PolarHBondContact O-N 3.09Å; N116-K119 WeakPolarHBondContact O-CB 3.5Å; N116-K119 PolarHBondContact O-N 3.17Å; N116-K119 PolarHBondContact OD1-NZ 3.4Å; L117-K119 PolarHBondContact O-N 3.2Å; L117-K119 VanDerWaalsContact O-N 3.17Å; K119-Y124 HydrophobicContact CG-CD2 4.46Å; K119-Y124 HydrophobicContact CG-CE1 4.42Å; K119-Y124 HydrophobicContact CG-CE2 3.98Å |
| 120 | V | 95.9 | Very high | 94 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 62% | 0.618 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -101.3 | -10.9 | -175.7 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | L117 R118 | L117-V120 HydrophobicContact CD1-CG2 4.09Å; L117-V120 WeakPolarHBondContact O-CG2 3.45Å; L117-V120 PolarHBondContact O-N 3.02Å; L117-V120 VanDerWaalsContact O-N 3.12Å; R118-V120 VanDerWaalsContact C-N 3.31Å; R118-V120 PolarHBondContact O-N 3.45Å |
| 121 | V | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -82.4 | 147 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | L117 L138 A139 | L117-V121 HydrophobicContact CD1-CG2 3.93Å; L117-V121 HydrophobicContact CG-CG2 4.08Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.27Å; L117-V121 PolarHBondContact O-N 3.46Å; V121-L138 HydrophobicContact CG1-CB 3.91Å; V121-L138 HydrophobicContact CG1-CD2 3.35Å; V121-L138 HydrophobicContact CG1-CG 3.35Å; V121-A139 HydrophobicContact CG2-CB 3.8Å |
| 122 | P | 92.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 72.9 Ų | 72.9 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 152.1 | 178.2 | -26.5 | 35.8 | 0 | 0 | 0 | 112.5 | Y124 L138 Y142 L165 | P122-Y124 VanDerWaalsContact C-N 3.31Å; P122-Y124 PolarHBondContact O-N 3.35Å; P122-L138 WeakPolarHBondContact O-CD2 3.32Å; P122-Y142 HydrophobicContact CG-CD1 4.02Å; P122-Y142 HydrophobicContact CG-CD2 3.7Å; P122-Y142 HydrophobicContact CG-CE1 4.11Å; P122-Y142 HydrophobicContact CG-CE2 3.82Å; P122-Y142 HydrophobicContact CG-CG 3.8Å; P122-L165 HydrophobicContact CB-CD1 4.3Å; P122-L165 HydrophobicContact CG-CD1 4.23Å; P122-L165 HydrophobicContact CG-CD2 4.25Å |
| 123 | C | 86 | Confident | 93.9 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 31.6 | 176 | -43.4 | 0 | 0 | 0 | 0 | 113.8 | S125 V177 C180 | C123-S125 PolarHBondContact O-N 2.97Å; C123-V177 HydrophobicContact CB-CG2 4.43Å; C123-C180 HydrophobicContact CB-CB 3.9Å; C123-C180 WeakPolarHBondContact SG-CB 3.5Å |
| 124 | Y | 89.3 | Confident | 93.9 | Very high | 103 Ų | 103 | 70.2 Ų | 70.2 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | trans | -57.6 | 127.5 | 171.1 | 175 | -112.2 | 0 | 0 | 0 | 111.1 | R118 K119 P122 K126 | R118-Y124 HydrophobicContact CB-CD2 4.14Å; R118-Y124 HydrophobicContact CB-CE2 4.31Å; R118-Y124 WeakPolarHBondContact O-CB 3.18Å; R118-Y124 WeakPolarHBondContact O-CD2 3.44Å; K119-Y124 HydrophobicContact CG-CD2 4.46Å; K119-Y124 HydrophobicContact CG-CE1 4.42Å; K119-Y124 HydrophobicContact CG-CE2 3.98Å; P122-Y124 VanDerWaalsContact C-N 3.31Å; P122-Y124 PolarHBondContact O-N 3.35Å; Y124-K126 HydrophobicContact CE1-CG 3.83Å | ||
| 125 | S | 86.8 | Confident | 93.9 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | trans | -121.6 | 133.8 | 171.9 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | C123 T127 Q128 | C123-S125 PolarHBondContact O-N 2.97Å; S125-T127 VanDerWaalsContact C-N 3.33Å; S125-T127 PolarHBondContact OG-N 3.12Å; S125-T127 PolarHBondContact OG-OG1 3.27Å; S125-Q128 WeakPolarHBondContact CB-O 3.4Å; S125-Q128 PolarHBondContact OG-N 3.22Å | ||
| 126 | K | 85.1 | Confident | 93.9 | Very high | 181 Ų | 181 | 72 Ų | 72 | 79% | 0.787 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -70.3 | -32.4 | 176.2 | -67.3 | -178.1 | -179 | 178.4 | 0 | 111.9 | Y124 | Y124-K126 HydrophobicContact CE1-CG 3.83Š|
| 127 | T | 87.1 | Confident | 93.9 | Very high | 140 Ų | 140 | 73 Ų | 73 | 86% | 0.859 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -94.5 | -29.9 | -174.9 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | S125 | S125-T127 VanDerWaalsContact C-N 3.33Å; S125-T127 PolarHBondContact OG-N 3.12Å; S125-T127 PolarHBondContact OG-OG1 3.27Å |
| 128 | Q | 89.4 | Confident | 93.9 | Very high | 119 Ų | 119 | 70.5 Ų | 70.5 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -122.9 | 100.7 | -178.4 | -168.9 | -179.5 | 14.3 | 0 | 0 | 111 | S125 | S125-Q128 WeakPolarHBondContact CB-O 3.4Å; S125-Q128 PolarHBondContact OG-N 3.22Å |
| 129 | K | 93.8 | Very high | 94 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 133.8 | 176.6 | -64.7 | -174.4 | 178.4 | -171.4 | 0 | 110.8 | D115 | D115-K129 VanDerWaalsContact CG-NZ 3.29Å; D115-K129 IonicContact OD1-NZ 3.62Å; D115-K129 PolarHBondContact OD1-NZ 2.93Å; D115-K129 VanDerWaalsContact OD1-NZ 3.09Å; D115-K129 IonicContact OD2-NZ 3.09Å; D115-K129 PolarHBondContact OD2-NZ 2.66Å |
| 130 | L | 95.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 71.6 Ų | 71.6 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 147.7 | 167.3 | -65.6 | 179.9 | 0 | 0 | 0 | 111.1 | R118 E134 T135 L138 T173 L176 | R118-L130 PolarHBondContact NE-O 2.98Å; R118-L130 PolarHBondContact NH2-O 2.77Å; L130-E134 HydrophobicContact CB-CB 4.32Å; L130-T135 PolarHBondContact O-OG1 2.94Å; L130-L138 HydrophobicContact CD1-CD2 3.7Å; L130-T173 HydrophobicContact CD1-CG2 4.4Å; L130-T173 HydrophobicContact CD2-CG2 3.76Å; L130-L176 HydrophobicContact CD2-CD2 3.99Å |
| 131 | S | 97 | Very high | 94.2 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 164.3 | 173.9 | 80.9 | 0 | 0 | 0 | 0 | 111.1 | I133 E134 T135 | S131-I133 VanDerWaalsContact C-N 3.33Å; S131-I133 PolarHBondContact O-N 2.9Å; S131-I133 WeakPolarHBondContact OG-CG2 3.28Å; S131-E134 PolarHBondContact O-N 3.08Å; S131-E134 WeakPolarHBondContact OG-CB 3.43Å; S131-E134 WeakPolarHBondContact OG-CG 3.37Å; S131-E134 PolarHBondContact OG-N 3.32Å; S131-T135 WeakPolarHBondContact O-CB 3.47Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 2.77Å |
| 132 | K | 98 | Very high | 94.3 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -47.3 | -178.9 | -58.6 | -163.4 | 169.5 | -173 | 0 | 111.4 | N111 L114 L136 | N111-K132 PolarHBondContact OD1-NZ 3.38Å; L114-K132 HydrophobicContact CD2-CB 4.06Å; L114-K132 HydrophobicContact CD2-CD 4.06Å; L114-K132 HydrophobicContact CD2-CG 3.62Å; K132-L136 VanDerWaalsContact O-CG 3.32Å; K132-L136 WeakPolarHBondContact O-CG 3.29Å; K132-L136 PolarHBondContact O-N 3.43Å |
| 133 | I | 98.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | -178.9 | -176.1 | 59.1 | 0 | 0 | 0 | 112.3 | S131 T135 L136 R137 | S131-I133 VanDerWaalsContact C-N 3.33Å; S131-I133 PolarHBondContact O-N 2.9Å; S131-I133 WeakPolarHBondContact OG-CG2 3.28Å; I133-T135 VanDerWaalsContact C-N 3.35Å; I133-T135 PolarHBondContact O-N 3.44Å; I133-L136 PolarHBondContact O-N 2.96Å; I133-R137 HydrophobicContact CD1-CG 4.2Å; I133-R137 HydrophobicContact CG1-CG 4.38Å; I133-R137 WeakPolarHBondContact O-CB 3.48Å; I133-R137 WeakPolarHBondContact O-CG 3.19Å; I133-R137 PolarHBondContact O-N 3.37Å |
| 134 | E | 97.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 80 Ų | 80 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | -179.6 | -64.9 | -68.6 | 107.2 | 0 | 0 | 111.2 | L130 S131 L136 R137 L138 S170 T173 | L130-E134 HydrophobicContact CB-CB 4.32Å; S131-E134 PolarHBondContact O-N 3.08Å; S131-E134 WeakPolarHBondContact OG-CB 3.43Å; S131-E134 WeakPolarHBondContact OG-CG 3.37Å; S131-E134 PolarHBondContact OG-N 3.32Å; E134-L136 PolarHBondContact O-N 3.49Å; E134-R137 PolarHBondContact O-N 3.39Å; E134-R137 IonicContact OE1-NH1 3.65Å; E134-R137 PolarHBondContact OE1-NH1 3.35Å; E134-R137 VanDerWaalsContact OE1-NH1 3.08Å; E134-L138 VanDerWaalsContact O-CB 3.27Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 3.3Å; E134-S170 PolarHBondContact OE2-N 3.3Å; E134-S170 PolarHBondContact OE2-OG 3.36Å; E134-T173 WeakPolarHBondContact OE2-CB 3.37Å; E134-T173 PolarHBondContact OE2-OG1 3.16Å |
| 135 | T | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 173.7 | -53.2 | 0 | 0 | 0 | 0 | 111 | L114 L117 R118 L130 S131 I133 A139 | L114-T135 HydrophobicContact CD1-CG2 3.92Å; L117-T135 HydrophobicContact CD2-CG2 4.08Å; L117-T135 HydrophobicContact CG-CG2 4.15Å; R118-T135 HydrophobicContact CG-CG2 3.61Å; R118-T135 PolarHBondContact NE-OG1 3.32Å; L130-T135 PolarHBondContact O-OG1 2.94Å; S131-T135 WeakPolarHBondContact O-CB 3.47Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 2.77Å; I133-T135 VanDerWaalsContact C-N 3.35Å; I133-T135 PolarHBondContact O-N 3.44Å; T135-A139 VanDerWaalsContact O-CB 3.28Å; T135-A139 WeakPolarHBondContact O-CB 3.49Å; T135-A139 PolarHBondContact O-N 3.01Å |
| 136 | L | 98.5 | Very high | 95.9 | Very high | 96 Ų | 96 | 76.9 Ų | 76.9 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -42 | -179.6 | -67.9 | 174.2 | 0 | 0 | 0 | 112.4 | L117 K132 I133 E134 A139 K140 | L117-L136 HydrophobicContact CD2-CD2 4.22Å; K132-L136 VanDerWaalsContact O-CG 3.32Å; K132-L136 WeakPolarHBondContact O-CG 3.29Å; K132-L136 PolarHBondContact O-N 3.43Å; I133-L136 PolarHBondContact O-N 2.96Å; E134-L136 PolarHBondContact O-N 3.49Å; L136-A139 PolarHBondContact O-N 3.42Å; L136-K140 PolarHBondContact O-N 3.3Å |
| 137 | R | 98.3 | Very high | 96.5 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 176.1 | -74 | 172.2 | 172.1 | 171.8 | -6.4 | 111.3 | I133 E134 A139 K140 N141 G168 L169 | I133-R137 HydrophobicContact CD1-CG 4.2Å; I133-R137 HydrophobicContact CG1-CG 4.38Å; I133-R137 WeakPolarHBondContact O-CB 3.48Å; I133-R137 WeakPolarHBondContact O-CG 3.19Å; I133-R137 PolarHBondContact O-N 3.37Å; E134-R137 PolarHBondContact O-N 3.39Å; E134-R137 IonicContact OE1-NH1 3.65Å; E134-R137 PolarHBondContact OE1-NH1 3.35Å; E134-R137 VanDerWaalsContact OE1-NH1 3.08Å; R137-A139 VanDerWaalsContact C-N 3.34Å; R137-A139 PolarHBondContact O-N 2.95Å; R137-K140 PolarHBondContact O-N 3.01Å; R137-N141 VanDerWaalsContact O-CG 3.22Å; R137-N141 PolarHBondContact O-N 3.49Å; R137-N141 PolarHBondContact O-OD1 2.92Å; R137-G168 WeakPolarHBondContact CD-O 3.35Å; R137-G168 PolarHBondContact NH1-O 2.88Å; R137-L169 HydrophobicContact CB-CD2 3.63Å |
| 138 | L | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | -179.8 | -175 | 59.9 | 0 | 0 | 0 | 111.5 | V121 P122 L130 E134 N141 Y142 L165 L169 | V121-L138 HydrophobicContact CG1-CB 3.91Å; V121-L138 HydrophobicContact CG1-CD2 3.35Å; V121-L138 HydrophobicContact CG1-CG 3.35Å; P122-L138 WeakPolarHBondContact O-CD2 3.32Å; L130-L138 HydrophobicContact CD1-CD2 3.7Å; E134-L138 VanDerWaalsContact O-CB 3.27Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 3.3Å; L138-N141 PolarHBondContact O-N 2.69Å; L138-Y142 VanDerWaalsContact O-CB 3.3Å; L138-Y142 WeakPolarHBondContact O-CB 3.49Å; L138-Y142 PolarHBondContact O-N 2.9Å; L138-L165 HydrophobicContact CD1-CB 4.1Å; L138-L165 HydrophobicContact CD1-CD2 4.15Å; L138-L169 HydrophobicContact CB-CD1 4.39Å; L138-L169 HydrophobicContact CB-CD2 4.17Å; L138-L169 HydrophobicContact CD1-CD1 3.85Å |
| 139 | A | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L117 V121 T135 L136 R137 N141 Y142 I143 | L117-A139 HydrophobicContact CD1-CB 4.07Å; L117-A139 HydrophobicContact CD2-CB 4.1Å; L117-A139 HydrophobicContact CG-CB 4.36Å; V121-A139 HydrophobicContact CG2-CB 3.8Å; T135-A139 VanDerWaalsContact O-CB 3.28Å; T135-A139 WeakPolarHBondContact O-CB 3.49Å; T135-A139 PolarHBondContact O-N 3.01Å; L136-A139 PolarHBondContact O-N 3.42Å; R137-A139 VanDerWaalsContact C-N 3.34Å; R137-A139 PolarHBondContact O-N 2.95Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.44Å; A139-Y142 PolarHBondContact O-N 3.05Å; A139-I143 WeakPolarHBondContact O-CG1 3.49Å; A139-I143 PolarHBondContact O-N 3.12Å |
| 140 | K | 98.4 | Very high | 97.3 | Very high | 157 Ų | 157 | 65.1 Ų | 65.1 | 68% | 0.683 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.6 | -48.9 | 175.1 | 176.7 | -170.9 | 172.3 | -176.8 | 0 | 111.2 | L136 R137 Y142 I143 W144 | L136-K140 PolarHBondContact O-N 3.3Å; R137-K140 PolarHBondContact O-N 3.01Å; K140-Y142 VanDerWaalsContact C-N 3.3Å; K140-Y142 PolarHBondContact O-N 3.25Å; K140-I143 PolarHBondContact O-N 3.28Å; K140-W144 PolarHBondContact O-N 3.45Å |
| 141 | N | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.102 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | -179.7 | -68.6 | -7.5 | 0 | 0 | 0 | 111.5 | R137 L138 A139 W144 A145 N164 L165 K167 | R137-N141 VanDerWaalsContact O-CG 3.22Å; R137-N141 PolarHBondContact O-N 3.49Å; R137-N141 PolarHBondContact O-OD1 2.92Å; L138-N141 PolarHBondContact O-N 2.69Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.44Å; N141-W144 PolarHBondContact O-N 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.35Å; N141-A145 PolarHBondContact O-N 3.06Å; N141-N164 WeakPolarHBondContact CB-O 3.38Å; N141-L165 PolarHBondContact ND2-O 3.46Å; N141-K167 PolarHBondContact ND2-O 3.45Å |
| 142 | Y | 97.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 27% | 0.271 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 178.4 | -174 | -140.1 | 0 | 0 | 0 | 112.3 | P122 L138 A139 K140 W144 A145 L146 F161 L165 | P122-Y142 HydrophobicContact CG-CD1 4.02Å; P122-Y142 HydrophobicContact CG-CD2 3.7Å; P122-Y142 HydrophobicContact CG-CE1 4.11Å; P122-Y142 HydrophobicContact CG-CE2 3.82Å; P122-Y142 HydrophobicContact CG-CG 3.8Å; L138-Y142 VanDerWaalsContact O-CB 3.3Å; L138-Y142 WeakPolarHBondContact O-CB 3.49Å; L138-Y142 PolarHBondContact O-N 2.9Å; A139-Y142 PolarHBondContact O-N 3.05Å; K140-Y142 VanDerWaalsContact C-N 3.3Å; K140-Y142 PolarHBondContact O-N 3.25Å; Y142-W144 VanDerWaalsContact C-N 3.29Å; Y142-W144 PolarHBondContact O-N 3.48Å; Y142-A145 PolarHBondContact O-N 3.28Å; Y142-L146 HydrophobicContact CD1-CD1 4.24Å; Y142-L146 HydrophobicContact CD2-CD1 4.11Å; Y142-L146 HydrophobicContact CD2-CD2 4.35Å; Y142-L146 HydrophobicContact CD2-CG 3.86Å; Y142-L146 HydrophobicContact CE1-CD1 3.85Å; Y142-L146 HydrophobicContact CE2-CD1 3.69Å; Y142-L146 HydrophobicContact CE2-CD2 3.66Å; Y142-L146 HydrophobicContact CE2-CG 3.58Å; Y142-L146 HydrophobicContact CG-CD1 4.38Å; Y142-L146 HydrophobicContact CG-CG 4.49Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.3Å; Y142-L146 PolarHBondContact O-N 3.17Å; Y142-F161 HydrophobicContact CD2-CZ 4.29Å; Y142-F161 HydrophobicContact CE2-CZ 4.09Å; Y142-L165 HydrophobicContact CD2-CD2 3.94Å; Y142-L165 HydrophobicContact CG-CD2 4.35Å |
| 143 | I | 98.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 71.6 Ų | 71.6 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.7 | -45 | 173.9 | -67.9 | 165.8 | 0 | 0 | 0 | 110.4 | A139 K140 S147 | A139-I143 WeakPolarHBondContact O-CG1 3.49Å; A139-I143 PolarHBondContact O-N 3.12Å; K140-I143 PolarHBondContact O-N 3.28Å; I143-S147 VanDerWaalsContact O-CB 3.29Å; I143-S147 WeakPolarHBondContact O-CB 3.27Å; I143-S147 PolarHBondContact O-N 3.24Å; I143-S147 PolarHBondContact O-OG 2.89Å |
| 144 | W | 97.5 | Very high | 96.7 | Very high | 134 Ų | 134 | 74.8 Ų | 74.8 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.3 | -178.7 | 84.5 | 0 | 0 | 0 | 111.6 | K140 N141 Y142 L146 S147 E148 N164 | K140-W144 PolarHBondContact O-N 3.45Å; N141-W144 PolarHBondContact O-N 3.25Å; Y142-W144 VanDerWaalsContact C-N 3.29Å; Y142-W144 PolarHBondContact O-N 3.48Å; W144-L146 PolarHBondContact O-N 3.33Å; W144-S147 WeakPolarHBondContact O-CB 3.39Å; W144-S147 PolarHBondContact O-N 3.44Å; W144-E148 PolarHBondContact O-N 3.26Å; W144-N164 HydrophobicContact CE3-CB 4.22Å; W144-N164 HydrophobicContact CZ3-CB 3.75Å |
| 145 | A | 96 | Very high | 96.3 | Very high | 3 Ų | 3 | 84.7 Ų | 84.7 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N141 Y142 E148 I149 F161 | N141-A145 WeakPolarHBondContact O-CB 3.35Å; N141-A145 PolarHBondContact O-N 3.06Å; Y142-A145 PolarHBondContact O-N 3.28Å; A145-E148 PolarHBondContact O-N 3.39Å; A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.38Å; A145-I149 PolarHBondContact O-N 3.38Å; A145-I149 VanDerWaalsContact O-N 3.09Å; A145-F161 HydrophobicContact CB-CD2 4.15Å; A145-F161 HydrophobicContact CB-CE2 3.85Å |
| 146 | L | 96.5 | Very high | 95.9 | Very high | 65 Ų | 65 | 86.4 Ų | 86.4 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.2 | -68 | -178 | 0 | 0 | 0 | 112.4 | Y142 W144 E148 I149 L150 | Y142-L146 HydrophobicContact CD1-CD1 4.24Å; Y142-L146 HydrophobicContact CD2-CD1 4.11Å; Y142-L146 HydrophobicContact CD2-CD2 4.35Å; Y142-L146 HydrophobicContact CD2-CG 3.86Å; Y142-L146 HydrophobicContact CE1-CD1 3.85Å; Y142-L146 HydrophobicContact CE2-CD1 3.69Å; Y142-L146 HydrophobicContact CE2-CD2 3.66Å; Y142-L146 HydrophobicContact CE2-CG 3.58Å; Y142-L146 HydrophobicContact CG-CD1 4.38Å; Y142-L146 HydrophobicContact CG-CG 4.49Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.3Å; Y142-L146 PolarHBondContact O-N 3.17Å; W144-L146 PolarHBondContact O-N 3.33Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-I149 HydrophobicContact CD2-CD1 4.25Å; L146-I149 WeakPolarHBondContact O-CB 3.43Å; L146-I149 PolarHBondContact O-N 2.67Å; L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.96Å |
| 147 | S | 97.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 86.9 Ų | 86.9 | 44% | 0.441 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | I143 W144 L150 R151 | I143-S147 VanDerWaalsContact O-CB 3.29Å; I143-S147 WeakPolarHBondContact O-CB 3.27Å; I143-S147 PolarHBondContact O-N 3.24Å; I143-S147 PolarHBondContact O-OG 2.89Å; W144-S147 WeakPolarHBondContact O-CB 3.39Å; W144-S147 PolarHBondContact O-N 3.44Å; S147-L150 PolarHBondContact O-N 3.49Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 2.97Å |
| 148 | E | 95.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 85.2 Ų | 85.2 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 179.5 | -170.2 | 62.6 | -176.3 | 0 | 0 | 112.6 | W144 A145 L146 L150 R151 I152 | W144-E148 PolarHBondContact O-N 3.26Å; A145-E148 PolarHBondContact O-N 3.39Å; L146-E148 PolarHBondContact O-N 2.86Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.29Å; E148-R151 PolarHBondContact O-N 3.48Å; E148-R151 IonicContact OE1-CZ 3.02Å; E148-R151 IonicContact OE1-NE 3.12Å; E148-R151 PolarHBondContact OE1-NE 3.05Å; E148-R151 IonicContact OE1-NH2 2.77Å; E148-R151 PolarHBondContact OE1-NH2 3.23Å; E148-R151 IonicContact OE2-CZ 3.43Å; E148-R151 IonicContact OE2-NE 3.84Å; E148-R151 PolarHBondContact OE2-NE 2.91Å; E148-R151 IonicContact OE2-NH2 2.66Å; E148-I152 HydrophobicContact CG-CD1 3.85Å; E148-I152 HydrophobicContact CG-CG1 4.43Å; E148-I152 WeakPolarHBondContact O-CG1 3.37Å; E148-I152 PolarHBondContact O-N 3.09Å; E148-I152 WeakPolarHBondContact OE1-CD1 3.49Å |
| 149 | I | 95.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 88.2 Ų | 88.2 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.1 | -62.8 | 176.7 | 0 | 0 | 0 | 110.5 | A145 L146 R151 G153 P156 F161 | A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.38Å; A145-I149 PolarHBondContact O-N 3.38Å; A145-I149 VanDerWaalsContact O-N 3.09Å; L146-I149 HydrophobicContact CD2-CD1 4.25Å; L146-I149 WeakPolarHBondContact O-CB 3.43Å; L146-I149 PolarHBondContact O-N 2.67Å; I149-R151 VanDerWaalsContact C-N 3.33Å; I149-R151 PolarHBondContact O-N 3.37Å; I149-G153 WeakPolarHBondContact O-CA 3.46Å; I149-G153 PolarHBondContact O-N 2.91Å; I149-P156 HydrophobicContact CD1-CG 3.92Å; I149-P156 VanDerWaalsContact CG1-CD 3.5Å; I149-P156 HydrophobicContact CG1-CG 3.85Å; I149-F161 HydrophobicContact CD1-CD2 4.33Å; I149-F161 HydrophobicContact CD1-CE2 4.18Å |
| 150 | L | 96.5 | Very high | 94.5 | Very high | 147 Ų | 147 | 90.6 Ų | 90.6 | 77% | 0.77 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.2 | -37.5 | 179.3 | -67.1 | 174.5 | 0 | 0 | 0 | 111.7 | L146 S147 E148 | L146-L150 WeakPolarHBondContact O-CG 3.49Å; L146-L150 PolarHBondContact O-N 2.96Å; S147-L150 PolarHBondContact O-N 3.49Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.29Å |
| 151 | R | 96.3 | Very high | 94.2 | Very high | 171 Ų | 171 | 85 Ų | 85 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69 | -43.6 | 179.2 | -168.6 | -167.4 | 69.9 | 74.6 | -1.8 | 112.9 | S147 E148 I149 | S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 2.97Å; E148-R151 PolarHBondContact O-N 3.48Å; E148-R151 IonicContact OE1-CZ 3.02Å; E148-R151 IonicContact OE1-NE 3.12Å; E148-R151 PolarHBondContact OE1-NE 3.05Å; E148-R151 IonicContact OE1-NH2 2.77Å; E148-R151 PolarHBondContact OE1-NH2 3.23Å; E148-R151 IonicContact OE2-CZ 3.43Å; E148-R151 IonicContact OE2-NE 3.84Å; E148-R151 PolarHBondContact OE2-NE 2.91Å; E148-R151 IonicContact OE2-NH2 2.66Å; I149-R151 VanDerWaalsContact C-N 3.33Å; I149-R151 PolarHBondContact O-N 3.37Å |
| 152 | I | 94.9 | Very high | 94 | Very high | 86 Ų | 86 | 84.1 Ų | 84.1 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -79.1 | -28.8 | -179.4 | -62.2 | 173.8 | 0 | 0 | 0 | 111.1 | E148 K154 | E148-I152 HydrophobicContact CG-CD1 3.85Å; E148-I152 HydrophobicContact CG-CG1 4.43Å; E148-I152 WeakPolarHBondContact O-CG1 3.37Å; E148-I152 PolarHBondContact O-N 3.09Å; E148-I152 WeakPolarHBondContact OE1-CD1 3.49Å; I152-K154 HydrophobicContact CG2-CB 3.87Å; I152-K154 HydrophobicContact CG2-CD 4.35Å; I152-K154 HydrophobicContact CG2-CG 4.12Å; I152-K154 PolarHBondContact O-N 3.35Å |
| 153 | G | 93.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 85.1 Ų | 85.1 | 68% | 0.68 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 15.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I149 | I149-G153 WeakPolarHBondContact O-CA 3.46Å; I149-G153 PolarHBondContact O-N 2.91Å |
| 154 | K | 90.9 | Very high | 93.6 | Very high | 155 Ų | 155 | 81.7 Ų | 81.7 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -130.4 | 144.9 | 178.8 | -61.8 | -178.3 | -179.1 | 178.3 | 0 | 110.4 | I152 | I152-K154 HydrophobicContact CG2-CB 3.87Å; I152-K154 HydrophobicContact CG2-CD 4.35Å; I152-K154 HydrophobicContact CG2-CG 4.12Å; I152-K154 PolarHBondContact O-N 3.35Å |
| 155 | R | 89.2 | Confident | 93.5 | Very high | 217 Ų | 217 | 75.3 Ų | 75.3 | 82% | 0.819 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 126.1 | 173.6 | -176.4 | 178.6 | 159.4 | 102.4 | -0.2 | 109.5 | ||
| 156 | P | 89.8 | Confident | 93.5 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 156.3 | 177.4 | 26.6 | -35 | 0 | 0 | 0 | 110.4 | I149 F161 | I149-P156 HydrophobicContact CD1-CG 3.92Å; I149-P156 VanDerWaalsContact CG1-CD 3.5Å; I149-P156 HydrophobicContact CG1-CG 3.85Å; P156-F161 HydrophobicContact CG-CB 4.18Å; P156-F161 HydrophobicContact CG-CD2 4.15Å |
| 157 | D | 91.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 79.9 Ų | 79.9 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -58 | 147 | 168.4 | -179.2 | 39.3 | 0 | 0 | 0 | 110.4 | L159 T160 F161 | D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 2.99Å; D157-L159 WeakPolarHBondContact OD2-CB 3.39Å; D157-T160 PolarHBondContact O-N 3.47Å; D157-F161 PolarHBondContact O-N 3.38Å |
| 158 | L | 89.8 | Confident | 93.3 | Very high | 71 Ų | 71 | 79.5 Ų | 79.5 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | -175.5 | 178.3 | 60.3 | 0 | 0 | 0 | 111 | F161 V162 L183 | L158-F161 PolarHBondContact O-N 3.44Å; L158-V162 HydrophobicContact CD1-CG2 4.18Å; L158-V162 HydrophobicContact CG-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.25Å; L158-L183 HydrophobicContact CD1-CD2 4.39Å; L158-L183 HydrophobicContact CD2-CD2 3.53Å; L158-L183 HydrophobicContact CG-CD2 3.72Å |
| 159 | L | 90.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 77.8 Ų | 77.8 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | -179.7 | -175.6 | 61.5 | 0 | 0 | 0 | 111.3 | D157 F161 V162 Q163 F188 | D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 2.99Å; D157-L159 WeakPolarHBondContact OD2-CB 3.39Å; L159-F161 VanDerWaalsContact C-N 3.34Å; L159-F161 PolarHBondContact O-N 2.97Å; L159-V162 PolarHBondContact O-N 2.91Å; L159-Q163 WeakPolarHBondContact O-CB 3.48Å; L159-Q163 VanDerWaalsContact O-CG 3.3Å; L159-Q163 WeakPolarHBondContact O-CG 3.29Å; L159-Q163 PolarHBondContact O-N 3.28Å; L159-F188 HydrophobicContact CD1-CD2 4.16Å |
| 160 | T | 91.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.4 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | D157 V162 Q163 N164 | D157-T160 PolarHBondContact O-N 3.47Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 2.84Å; T160-Q163 PolarHBondContact O-N 2.87Å; T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 3.04Å; T160-N164 PolarHBondContact O-ND2 3.2Å |
| 161 | F | 92.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 75 Ų | 75 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.5 | -176.9 | -106.1 | 0 | 0 | 0 | 111.9 | Y142 A145 I149 P156 D157 L158 L159 N164 L165 | Y142-F161 HydrophobicContact CD2-CZ 4.29Å; Y142-F161 HydrophobicContact CE2-CZ 4.09Å; A145-F161 HydrophobicContact CB-CD2 4.15Å; A145-F161 HydrophobicContact CB-CE2 3.85Å; I149-F161 HydrophobicContact CD1-CD2 4.33Å; I149-F161 HydrophobicContact CD1-CE2 4.18Å; P156-F161 HydrophobicContact CG-CB 4.18Å; P156-F161 HydrophobicContact CG-CD2 4.15Å; D157-F161 PolarHBondContact O-N 3.38Å; L158-F161 PolarHBondContact O-N 3.44Å; L159-F161 VanDerWaalsContact C-N 3.34Å; L159-F161 PolarHBondContact O-N 2.97Å; F161-N164 PolarHBondContact O-N 2.86Å; F161-L165 HydrophobicContact CD1-CD1 3.93Å; F161-L165 HydrophobicContact CD1-CG 4.45Å; F161-L165 HydrophobicContact CE1-CD1 3.41Å; F161-L165 VanDerWaalsContact CE1-CD1 3.41Å; F161-L165 HydrophobicContact CE1-CG 4.12Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.4Å; F161-L165 HydrophobicContact CZ-CG 4.23Å; F161-L165 WeakPolarHBondContact O-CG 3.41Å; F161-L165 PolarHBondContact O-N 2.83Å |
| 162 | V | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L158 L159 T160 N164 L165 C166 V177 L181 L183 F188 | L158-V162 HydrophobicContact CD1-CG2 4.18Å; L158-V162 HydrophobicContact CG-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.25Å; L159-V162 PolarHBondContact O-N 2.91Å; T160-V162 VanDerWaalsContact C-N 3.34Å; T160-V162 PolarHBondContact O-N 2.84Å; V162-N164 PolarHBondContact O-N 2.9Å; V162-L165 PolarHBondContact O-N 3.08Å; V162-L165 VanDerWaalsContact O-N 3.1Å; V162-C166 WeakPolarHBondContact O-CB 3.45Å; V162-C166 PolarHBondContact O-N 3.45Å; V162-C166 PolarHBondContact O-SG 3.4Å; V162-C166 VanDerWaalsContact O-SG 3.34Å; V162-V177 HydrophobicContact CG1-CG1 4.33Å; V162-L181 HydrophobicContact CG2-CD1 3.61Å; V162-L183 HydrophobicContact CB-CD1 3.84Å; V162-L183 HydrophobicContact CG1-CD1 3.48Å; V162-L183 VanDerWaalsContact CG1-CD1 3.48Å; V162-L183 HydrophobicContact CG2-CD1 3.45Å; V162-L183 VanDerWaalsContact CG2-CD1 3.45Å; V162-L183 HydrophobicContact CG2-CD2 4.21Å; V162-L183 HydrophobicContact CG2-CG 4.31Å; V162-F188 HydrophobicContact CB-CE2 4.44Å; V162-F188 HydrophobicContact CG1-CD2 4.18Å; V162-F188 HydrophobicContact CG1-CE2 3.61Å; V162-F188 HydrophobicContact CG1-CZ 4.28Å |
| 163 | Q | 92.8 | Very high | 93.2 | Very high | 89 Ų | 89 | 67.8 Ų | 67.8 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.6 | -42.5 | 177 | -76.1 | 173.5 | -13.1 | 0 | 0 | 111.2 | L159 T160 C166 K167 F188 | L159-Q163 WeakPolarHBondContact O-CB 3.48Å; L159-Q163 VanDerWaalsContact O-CG 3.3Å; L159-Q163 WeakPolarHBondContact O-CG 3.29Å; L159-Q163 PolarHBondContact O-N 3.28Å; T160-Q163 PolarHBondContact O-N 2.87Å; Q163-C166 PolarHBondContact O-N 2.83Å; Q163-K167 PolarHBondContact O-N 3.28Å; Q163-F188 HydrophobicContact CG-CE2 4.2Å |
| 164 | N | 94.2 | Very high | 93.2 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 176.8 | -67.2 | -30.5 | 0 | 0 | 0 | 112.2 | N141 W144 T160 F161 V162 | N141-N164 WeakPolarHBondContact CB-O 3.38Å; W144-N164 HydrophobicContact CE3-CB 4.22Å; W144-N164 HydrophobicContact CZ3-CB 3.75Å; T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 3.04Å; T160-N164 PolarHBondContact O-ND2 3.2Å; F161-N164 PolarHBondContact O-N 2.86Å; V162-N164 PolarHBondContact O-N 2.9Å |
| 165 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 175 | -73.4 | -178.1 | 0 | 0 | 0 | 112.5 | P122 L138 N141 Y142 F161 V162 K167 L169 L181 | P122-L165 HydrophobicContact CB-CD1 4.3Å; P122-L165 HydrophobicContact CG-CD1 4.23Å; P122-L165 HydrophobicContact CG-CD2 4.25Å; L138-L165 HydrophobicContact CD1-CB 4.1Å; L138-L165 HydrophobicContact CD1-CD2 4.15Å; N141-L165 PolarHBondContact ND2-O 3.46Å; Y142-L165 HydrophobicContact CD2-CD2 3.94Å; Y142-L165 HydrophobicContact CG-CD2 4.35Å; F161-L165 HydrophobicContact CD1-CD1 3.93Å; F161-L165 HydrophobicContact CD1-CG 4.45Å; F161-L165 HydrophobicContact CE1-CD1 3.41Å; F161-L165 VanDerWaalsContact CE1-CD1 3.41Å; F161-L165 HydrophobicContact CE1-CG 4.12Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.4Å; F161-L165 HydrophobicContact CZ-CG 4.23Å; F161-L165 WeakPolarHBondContact O-CG 3.41Å; F161-L165 PolarHBondContact O-N 2.83Å; V162-L165 PolarHBondContact O-N 3.08Å; V162-L165 VanDerWaalsContact O-N 3.1Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.36Å; L165-L169 WeakPolarHBondContact O-CD1 3.16Å; L165-L181 HydrophobicContact CD1-CD1 4.33Å |
| 166 | C | 95.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.4 | -7.4 | -172.5 | -66 | 0 | 0 | 0 | 0 | 114.4 | V162 Q163 G168 L169 T174 F188 | V162-C166 WeakPolarHBondContact O-CB 3.45Å; V162-C166 PolarHBondContact O-N 3.45Å; V162-C166 PolarHBondContact O-SG 3.4Å; V162-C166 VanDerWaalsContact O-SG 3.34Å; Q163-C166 PolarHBondContact O-N 2.83Å; C166-G168 PolarHBondContact O-N 3.17Å; C166-G168 VanDerWaalsContact O-N 3.09Å; C166-L169 WeakPolarHBondContact O-CB 3.44Å; C166-L169 PolarHBondContact O-N 3.32Å; C166-T174 HydrophobicContact CB-CG2 3.96Å; C166-F188 HydrophobicContact CB-CZ 4.1Å |
| 167 | K | 95.4 | Very high | 93.3 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 116.2 | -176.1 | -173.1 | 173.7 | -178.4 | 171.4 | 0 | 112.1 | N141 Q163 L165 L169 | N141-K167 PolarHBondContact ND2-O 3.45Å; Q163-K167 PolarHBondContact O-N 3.28Å; L165-K167 VanDerWaalsContact C-N 3.31Å; L165-K167 PolarHBondContact O-N 3.36Å; K167-L169 PolarHBondContact O-N 3.43Å |
| 168 | G | 95.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 57% | 0.567 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R137 C166 | R137-G168 WeakPolarHBondContact CD-O 3.35Å; R137-G168 PolarHBondContact NH1-O 2.88Å; C166-G168 PolarHBondContact O-N 3.17Å; C166-G168 VanDerWaalsContact O-N 3.09Å |
| 169 | L | 96.6 | Very high | 93 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | trans | -78.8 | 157.8 | 168.1 | -60.1 | -176.3 | 0 | 0 | 0 | 110.4 | R137 L138 L165 C166 K167 T173 V177 | R137-L169 HydrophobicContact CB-CD2 3.63Å; L138-L169 HydrophobicContact CB-CD1 4.39Å; L138-L169 HydrophobicContact CB-CD2 4.17Å; L138-L169 HydrophobicContact CD1-CD1 3.85Å; L165-L169 WeakPolarHBondContact O-CD1 3.16Å; C166-L169 WeakPolarHBondContact O-CB 3.44Å; C166-L169 PolarHBondContact O-N 3.32Å; K167-L169 PolarHBondContact O-N 3.43Å; L169-T173 HydrophobicContact CB-CG2 4.19Å; L169-T173 HydrophobicContact CD1-CG2 3.71Å; L169-T173 HydrophobicContact CD2-CG2 4.45Å; L169-T173 HydrophobicContact CG-CG2 4.34Å; L169-V177 HydrophobicContact CD1-CG2 4.44Å | ||
| 170 | S | 96.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | trans | -66.8 | 156.7 | 171.3 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | E134 T173 T174 | E134-S170 PolarHBondContact OE2-N 3.3Å; E134-S170 PolarHBondContact OE2-OG 3.36Å; S170-T173 PolarHBondContact O-N 2.95Å; S170-T173 PolarHBondContact OG-OG1 3.02Å; S170-T174 PolarHBondContact O-N 3.41Å; S170-T174 PolarHBondContact O-OG1 3.29Å | ||
| 171 | Q | 94.4 | Very high | 92.1 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 177.9 | -172.5 | 65.2 | 44.5 | 0 | 0 | 113.1 | T173 T174 N175 | Q171-T173 PolarHBondContact O-N 3.22Å; Q171-T174 WeakPolarHBondContact O-CB 3.46Å; Q171-T174 PolarHBondContact O-N 3.1Å; Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 VanDerWaalsContact O-CG 3.27Å; Q171-N175 PolarHBondContact O-N 2.87Å; Q171-N175 PolarHBondContact O-OD1 3.34Å |
| 172 | P | 93.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 178 | -23.6 | 35.7 | 0 | 0 | 0 | 112.9 | N175 L176 | P172-N175 PolarHBondContact O-N 3.31Å; P172-L176 PolarHBondContact O-N 3.38Å |
| 173 | T | 94.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | L130 E134 L169 S170 Q171 N175 L176 V177 | L130-T173 HydrophobicContact CD1-CG2 4.4Å; L130-T173 HydrophobicContact CD2-CG2 3.76Å; E134-T173 WeakPolarHBondContact OE2-CB 3.37Å; E134-T173 PolarHBondContact OE2-OG1 3.16Å; L169-T173 HydrophobicContact CB-CG2 4.19Å; L169-T173 HydrophobicContact CD1-CG2 3.71Å; L169-T173 HydrophobicContact CD2-CG2 4.45Å; L169-T173 HydrophobicContact CG-CG2 4.34Å; S170-T173 PolarHBondContact O-N 2.95Å; S170-T173 PolarHBondContact OG-OG1 3.02Å; Q171-T173 PolarHBondContact O-N 3.22Å; T173-N175 VanDerWaalsContact C-N 3.3Å; T173-N175 PolarHBondContact O-N 3.47Å; T173-L176 WeakPolarHBondContact O-CB 3.46Å; T173-L176 PolarHBondContact O-N 3.23Å; T173-L176 VanDerWaalsContact O-N 3.16Å; T173-V177 WeakPolarHBondContact O-CG2 3.11Å; T173-V177 PolarHBondContact O-N 3.43Å |
| 174 | T | 94.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | C166 S170 Q171 V177 A178 F188 | C166-T174 HydrophobicContact CB-CG2 3.96Å; S170-T174 PolarHBondContact O-N 3.41Å; S170-T174 PolarHBondContact O-OG1 3.29Å; Q171-T174 WeakPolarHBondContact O-CB 3.46Å; Q171-T174 PolarHBondContact O-N 3.1Å; T174-V177 PolarHBondContact O-N 3.23Å; T174-A178 WeakPolarHBondContact O-CB 3.3Å; T174-A178 PolarHBondContact O-N 3.01Å; T174-F188 HydrophobicContact CG2-CD1 4.35Å; T174-F188 HydrophobicContact CG2-CE1 3.38Å; T174-F188 HydrophobicContact CG2-CZ 3.88Å |
| 175 | N | 91.4 | Very high | 85.9 | Confident | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.1 | -66.2 | -10.9 | 0 | 0 | 0 | 111.9 | Q171 P172 T173 A178 G179 | Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 VanDerWaalsContact O-CG 3.27Å; Q171-N175 PolarHBondContact O-N 2.87Å; Q171-N175 PolarHBondContact O-OD1 3.34Å; P172-N175 PolarHBondContact O-N 3.31Å; T173-N175 VanDerWaalsContact C-N 3.3Å; T173-N175 PolarHBondContact O-N 3.47Å; N175-A178 PolarHBondContact O-N 3.05Å; N175-G179 PolarHBondContact O-N 3.24Å |
| 176 | L | 91 | Very high | 83.9 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.4 | 179 | 67 | 0 | 0 | 0 | 111 | L130 P172 T173 A178 G179 C180 | L130-L176 HydrophobicContact CD2-CD2 3.99Å; P172-L176 PolarHBondContact O-N 3.38Å; T173-L176 WeakPolarHBondContact O-CB 3.46Å; T173-L176 PolarHBondContact O-N 3.23Å; T173-L176 VanDerWaalsContact O-N 3.16Å; L176-A178 PolarHBondContact O-N 2.91Å; L176-G179 PolarHBondContact O-N 3.42Å; L176-C180 WeakPolarHBondContact O-CB 3.49Å; L176-C180 PolarHBondContact O-N 3.4Å; L176-C180 PolarHBondContact O-SG 3.09Å; L176-C180 VanDerWaalsContact O-SG 3.32Å |
| 177 | V | 90.6 | Very high | 81.9 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | C123 V162 L169 T173 T174 G179 C180 L181 | C123-V177 HydrophobicContact CB-CG2 4.43Å; V162-V177 HydrophobicContact CG1-CG1 4.33Å; L169-V177 HydrophobicContact CD1-CG2 4.44Å; T173-V177 WeakPolarHBondContact O-CG2 3.11Å; T173-V177 PolarHBondContact O-N 3.43Å; T174-V177 PolarHBondContact O-N 3.23Å; V177-G179 VanDerWaalsContact C-N 3.32Å; V177-G179 PolarHBondContact O-N 3.37Å; V177-C180 PolarHBondContact O-N 3.41Å; V177-L181 HydrophobicContact CG1-CD1 3.88Å; V177-L181 WeakPolarHBondContact O-CB 3.48Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.05Å |
| 178 | A | 87.6 | Confident | 79.8 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T174 N175 L176 L181 Q182 L183 | T174-A178 WeakPolarHBondContact O-CB 3.3Å; T174-A178 PolarHBondContact O-N 3.01Å; N175-A178 PolarHBondContact O-N 3.05Å; L176-A178 PolarHBondContact O-N 2.91Å; A178-L181 PolarHBondContact O-N 2.95Å; A178-Q182 PolarHBondContact O-N 3.09Å; A178-Q182 VanDerWaalsContact O-N 3.16Å; A178-L183 HydrophobicContact CB-CD1 4.4Å; A178-L183 PolarHBondContact O-N 3.17Å; A178-L183 VanDerWaalsContact O-N 3.09Å |
| 179 | G | 85.4 | Confident | 78 | Confident | 55 Ų | 55 | 68 Ų | 68 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N175 L176 V177 L181 Q182 | N175-G179 PolarHBondContact O-N 3.24Å; L176-G179 PolarHBondContact O-N 3.42Å; V177-G179 VanDerWaalsContact C-N 3.32Å; V177-G179 PolarHBondContact O-N 3.37Å; G179-L181 VanDerWaalsContact C-N 3.26Å; G179-L181 PolarHBondContact O-N 3.38Å; G179-Q182 PolarHBondContact O-N 3.16Å |
| 180 | C | 84.4 | Confident | 75.9 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -29.5 | 177.6 | -71.4 | 0 | 0 | 0 | 0 | 113.1 | C123 L176 V177 | C123-C180 HydrophobicContact CB-CB 3.9Å; C123-C180 WeakPolarHBondContact SG-CB 3.5Å; L176-C180 WeakPolarHBondContact O-CB 3.49Å; L176-C180 PolarHBondContact O-N 3.4Å; L176-C180 PolarHBondContact O-SG 3.09Å; L176-C180 VanDerWaalsContact O-SG 3.32Å; V177-C180 PolarHBondContact O-N 3.41Å |
| 181 | L | 80.1 | Confident | 73.5 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.5 | 179.9 | -62.1 | 176 | 0 | 0 | 0 | 113.2 | V162 L165 V177 A178 G179 L183 | V162-L181 HydrophobicContact CG2-CD1 3.61Å; L165-L181 HydrophobicContact CD1-CD1 4.33Å; V177-L181 HydrophobicContact CG1-CD1 3.88Å; V177-L181 WeakPolarHBondContact O-CB 3.48Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.05Å; A178-L181 PolarHBondContact O-N 2.95Å; G179-L181 VanDerWaalsContact C-N 3.26Å; G179-L181 PolarHBondContact O-N 3.38Å; L181-L183 HydrophobicContact CB-CG 4.24Å; L181-L183 PolarHBondContact O-N 2.66Å |
| 182 | Q | 72.9 | Confident | 71.5 | Confident | 177 Ų | 177 | 76.4 Ų | 76.4 | 83% | 0.827 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.5 | 176.5 | -61.4 | 176.1 | 11.9 | 0 | 0 | 113.6 | A178 G179 N184 | A178-Q182 PolarHBondContact O-N 3.09Å; A178-Q182 VanDerWaalsContact O-N 3.16Å; G179-Q182 PolarHBondContact O-N 3.16Å; Q182-N184 PolarHBondContact O-N 3.26Å |
| 183 | L | 63.1 | Low | 69 | Low | 34 Ų | 34 | 75.5 Ų | 75.5 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | trans | -75 | 130.8 | 176.1 | -55.3 | 175.7 | 0 | 0 | 0 | 108.8 | L158 V162 A178 L181 A185 F188 | L158-L183 HydrophobicContact CD1-CD2 4.39Å; L158-L183 HydrophobicContact CD2-CD2 3.53Å; L158-L183 HydrophobicContact CG-CD2 3.72Å; V162-L183 HydrophobicContact CB-CD1 3.84Å; V162-L183 HydrophobicContact CG1-CD1 3.48Å; V162-L183 VanDerWaalsContact CG1-CD1 3.48Å; V162-L183 HydrophobicContact CG2-CD1 3.45Å; V162-L183 VanDerWaalsContact CG2-CD1 3.45Å; V162-L183 HydrophobicContact CG2-CD2 4.21Å; V162-L183 HydrophobicContact CG2-CG 4.31Å; A178-L183 HydrophobicContact CB-CD1 4.4Å; A178-L183 PolarHBondContact O-N 3.17Å; A178-L183 VanDerWaalsContact O-N 3.09Å; L181-L183 HydrophobicContact CB-CG 4.24Å; L181-L183 PolarHBondContact O-N 2.66Å; L183-A185 PolarHBondContact O-N 3.06Å; L183-F188 HydrophobicContact CD1-CD2 4.45Å | ||
| 184 | N | 53.6 | Low | 66.6 | Low | 136 Ų | 136 | 77.2 Ų | 77.2 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | trans | -56 | 113.7 | 168.6 | -95.4 | -35.4 | 0 | 0 | 0 | 108.4 | Q182 R186 S187 | Q182-N184 PolarHBondContact O-N 3.26Å; N184-R186 PolarHBondContact O-N 3.36Å; N184-S187 PolarHBondContact O-N 3.48Å | ||
| 185 | A | 52.5 | Low | 64.2 | Low | 73 Ų | 73 | 86.8 Ų | 86.8 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.4 | -24.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L183 | L183-A185 PolarHBondContact O-N 3.06Å |
| 186 | R | 52 | Low | 61.9 | Low | 217 Ų | 217 | 86.2 Ų | 86.2 | 82% | 0.819 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.7 | -27 | -179.5 | -151.4 | 172 | -172.8 | 156.1 | 1.6 | 114.1 | N184 | N184-R186 PolarHBondContact O-N 3.36Å |
| 187 | S | 53.3 | Low | 59.7 | Low | 86 Ų | 86 | 88 Ų | 88 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -86.1 | -22.4 | -177 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | N184 | N184-S187 PolarHBondContact O-N 3.48Å |
| 188 | F | 52.7 | Low | 57.4 | Low | 15 Ų | 15 | 95.9 Ų | 95.9 | 7% | 0.066 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -91.2 | -36.5 | -172.9 | -167.3 | -94.8 | 0 | 0 | 0 | 113.7 | L159 V162 Q163 C166 T174 L183 M190 G191 | L159-F188 HydrophobicContact CD1-CD2 4.16Å; V162-F188 HydrophobicContact CB-CE2 4.44Å; V162-F188 HydrophobicContact CG1-CD2 4.18Å; V162-F188 HydrophobicContact CG1-CE2 3.61Å; V162-F188 HydrophobicContact CG1-CZ 4.28Å; Q163-F188 HydrophobicContact CG-CE2 4.2Å; C166-F188 HydrophobicContact CB-CZ 4.1Å; T174-F188 HydrophobicContact CG2-CD1 4.35Å; T174-F188 HydrophobicContact CG2-CE1 3.38Å; T174-F188 HydrophobicContact CG2-CZ 3.88Å; L183-F188 HydrophobicContact CD1-CD2 4.45Å; F188-M190 VanDerWaalsContact C-N 3.32Å; F188-M190 PolarHBondContact O-N 3.09Å; F188-G191 PolarHBondContact O-N 2.91Å |
| 189 | L | 57.2 | Low | 55.3 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -24.8 | -175.2 | -68.5 | 174 | 0 | 0 | 0 | 113.8 | G191 | L189-G191 VanDerWaalsContact C-N 3.33Š|
| 190 | M | 52.1 | Low | 53.2 | Low | 153 Ų | 153 | 105.9 Ų | 105.9 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -19.4 | 179 | -69.9 | 175.4 | 64.6 | 0 | 0 | 113.1 | F188 | F188-M190 VanDerWaalsContact C-N 3.32Å; F188-M190 PolarHBondContact O-N 3.09Å |
| 191 | G | 47.4 | Very low | 51.3 | Low | 54 Ų | 54 | 113.7 Ų | 113.7 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -18.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F188 L189 | F188-G191 PolarHBondContact O-N 2.91Å; L189-G191 VanDerWaalsContact C-N 3.33Å |
| 192 | Q | 52.2 | Low | 49.6 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 58% | 0.579 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -92.4 | -10.4 | 175.6 | -74.8 | -167.6 | 28.4 | 0 | 0 | 113.6 | G194 | Q192-G194 VanDerWaalsContact C-N 3.28Å; Q192-G194 PolarHBondContact O-N 2.94Å |
| 193 | A | 41.6 | Very low | 48.4 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -86.8 | 8.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 194 | G | 43.9 | Very low | 47.6 | Very low | 47 Ų | 47 | 119.1 Ų | 119.1 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -100.5 | -5.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q192 | Q192-G194 VanDerWaalsContact C-N 3.28Å; Q192-G194 PolarHBondContact O-N 2.94Å |
| 195 | E | 42.2 | Very low | 47.3 | Very low | 203 Ų | 203 | 117.3 Ų | 117.3 | 95% | 0.949 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -111.9 | 27.3 | 179.8 | -71 | -145.5 | 146.6 | 0 | 0 | 114.2 | ||
| 196 | G | 45.2 | Very low | 47.3 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -144.4 | 7.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 197 | A | 43.6 | Very low | 47.3 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | trans | -123.6 | 40.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H199 | A197-H199 PolarHBondContact O-N 3.39Š| ||
| 198 | H | 41.5 | Very low | 47.1 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -88.2 | 94.3 | 159.8 | -67.8 | -70.7 | 0 | 0 | 0 | 109.2 | ||
| 199 | H | 44.4 | Very low | 47.4 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | trans | 56.2 | 85.7 | 149.9 | -53.2 | -19.1 | 0 | 0 | 0 | 118.8 | A197 | A197-H199 PolarHBondContact O-N 3.39Š| ||
| 200 | A | 40.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 88% | 0.884 | 72% | 0.721 | S | S | * | * | trans | -110 | 75.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S202 | A200-S202 PolarHBondContact O-N 3.36Š| ||
| 201 | R | 45.2 | Very low | 46.6 | Very low | 228 Ų | 228 | 131.5 Ų | 131.5 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -71.7 | 106 | 165.7 | -162.2 | -179.7 | -171.3 | -164.9 | 1.9 | 106.3 | ||||
| 202 | S | 44.7 | Very low | 46.6 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | trans | -54.4 | 128.3 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | A200 Y204 | A200-S202 PolarHBondContact O-N 3.36Å; S202-Y204 PolarHBondContact O-N 2.94Å; S202-Y204 VanDerWaalsContact O-N 3.08Å | ||
| 203 | P | 47.1 | Very low | 45.8 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 0.3 | -175.1 | 28.2 | -33.1 | 0 | 0 | 0 | 114.1 | ||
| 204 | Y | 46.1 | Very low | 46.2 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.9 | 179.6 | -100.4 | -90.4 | 0 | 0 | 0 | 115.1 | S202 T206 | S202-Y204 PolarHBondContact O-N 2.94Å; S202-Y204 VanDerWaalsContact O-N 3.08Å; Y204-T206 VanDerWaalsContact C-N 3.25Å; Y204-T206 PolarHBondContact O-N 3.47Å |
| 205 | S | 48.1 | Very low | 46 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 25.7 | -176.5 | -168.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 206 | T | 52.1 | Low | 46.1 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -10 | -178.7 | -54.5 | 0 | 0 | 0 | 0 | 113 | Y204 | Y204-T206 VanDerWaalsContact C-N 3.25Å; Y204-T206 PolarHBondContact O-N 3.47Å |
| 207 | F | 51.7 | Low | 45.7 | Very low | 156 Ų | 156 | 145 Ų | 145 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -100.1 | 0.7 | -170.4 | -70.5 | -73.1 | 0 | 0 | 0 | 116.5 | ||
| 208 | Y | 49.5 | Very low | 45.6 | Very low | 216 Ų | 216 | 148 Ų | 148 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -137.1 | 111.8 | 175.6 | -72.1 | -81.3 | 0 | 0 | 0 | 111.5 | ||||
| 209 | P | 59 | Low | 46.2 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 143.9 | 170.2 | 16.7 | -14.1 | 0 | 0 | 0 | 111.2 | Y211 | P209-Y211 PolarHBondContact O-N 3.3Š|
| 210 | P | 50.3 | Low | 46.7 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.1 | 173.5 | -14 | 28.2 | 0 | 0 | 0 | 110.2 | H212 | P210-H212 PolarHBondContact O-N 3.23Š|
| 211 | Y | 42.4 | Very low | 46.3 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.2 | 172.8 | -112.3 | -96.9 | 0 | 0 | 0 | 110 | P209 | P209-Y211 PolarHBondContact O-N 3.3Š|
| 212 | H | 47.2 | Very low | 46.1 | Very low | 184 Ų | 184 | 140 Ų | 140 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120.2 | 165 | -122.6 | -84.6 | 0 | 0 | 0 | 107.9 | P210 | P210-H212 PolarHBondContact O-N 3.23Š|
| 213 | S | 36.2 | Very low | 45.5 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 122 | 174 | -156.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 214 | P | 49.8 | Very low | 45.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 129.1 | 174.9 | 31.9 | -27.2 | 0 | 0 | 0 | 111.4 | ||
| 215 | E | 39.7 | Very low | 44.9 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.2 | 165.9 | -71.9 | -171 | 135.3 | 0 | 0 | 111.6 | ||
| 216 | L | 44.6 | Very low | 44.4 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -157.1 | 122 | 154 | -132 | 88.2 | 0 | 0 | 0 | 111.9 | ||||
| 217 | G | 36.4 | Very low | 43.7 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 81.2 | 104.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 218 | T | 41 | Very low | 43 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -77.8 | -176.6 | 157.4 | 2.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 219 | P | 54.8 | Low | 42.6 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -132.5 | -142.5 | -32.1 | 40.2 | -19.3 | 0 | 0 | 0 | 109.4 | ||||
| 220 | P | 53.4 | Low | 41.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -133.8 | 172.2 | -20.7 | 37.4 | -18.4 | 0 | 0 | 0 | 115.8 | ||||
| 221 | G | 33.4 | Very low | 40.9 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 143.9 | 117.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 222 | H | 40.3 | Very low | 40.9 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | trans | 98.7 | 104.7 | 130.6 | -148.8 | -74.3 | 0 | 0 | 0 | 122.6 | ||||
| 223 | G | 33.5 | Very low | 41 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 63 | 164.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 224 | T | 38.4 | Very low | 40.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | cis | -172.8 | 152.2 | -16.7 | -167.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 225 | L | 40.7 | Very low | 40.4 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 53.6 | 131.8 | 156.2 | -95.2 | 82.5 | 0 | 0 | 0 | 123.2 | ||||
| 226 | D | 37.6 | Very low | 40.2 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 98.4 | 143.8 | 126.1 | -67 | -12.8 | 0 | 0 | 0 | 124.6 | |||||
| 227 | N | 37.2 | Very low | 39.7 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -106.8 | 132.7 | -166.2 | 166.6 | 37.9 | 0 | 0 | 0 | 109.4 | ||||
| 228 | A | 37.4 | Very low | 39.5 | Very low | 78 Ų | 78 | 139.1 Ų | 139.1 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | 178.1 | 123.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 229 | K | 41.8 | Very low | 39.1 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | 47.8 | 126.3 | 130 | -53 | 173.6 | -173.5 | 174.3 | 0 | 118.4 | ||||
| 230 | S | 35.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | -173.3 | 138.2 | 91.4 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 231 | M | 37.2 | Very low | 37.4 | Very low | 171 Ų | 171 | 144 Ų | 144 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -52.6 | 148.6 | 154.8 | -75.5 | -91.2 | -171 | 0 | 0 | 110.7 | ||||
| 232 | K | 42.3 | Very low | 37.7 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | 178.8 | -169.3 | 48.7 | -130.9 | -174 | -174 | 179.2 | 0 | 109.2 | ||||
| 233 | P | 49.9 | Very low | 37.5 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | trans | -109.2 | 170.1 | -136.4 | 41.2 | -24 | 0 | 0 | 0 | 115.5 | ||||
| 234 | Y | 31.5 | Very low | 37.9 | Very low | 239 Ų | 239 | 153 Ų | 153 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | trans | -154.9 | 141.3 | 151.9 | -126.7 | -91.8 | 0 | 0 | 0 | 112 | ||||
| 235 | N | 43.1 | Very low | 37.8 | Very low | 145 Ų | 145 | 156 Ų | 156 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -106.6 | 135.1 | -173.8 | -160 | 21.9 | 0 | 0 | 0 | 108 | ||||
| 236 | Y | 35.3 | Very low | 37.6 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -163.2 | 105.8 | 155.8 | -157.7 | -111.7 | 0 | 0 | 0 | 112.6 | ||||
| 237 | C | 34.1 | Very low | 37.7 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 123 | 154.3 | -82.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 238 | S | 31.2 | Very low | 37.7 | Very low | 94 Ų | 94 | 153.4 Ų | 153.4 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 175.8 | 115.7 | 143.5 | -89.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | A | 32 | Very low | 38.3 | Very low | 92 Ų | 92 | 154.8 Ų | 154.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | 161.9 | 130.5 | 126.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 240 | Y | 34.2 | Very low | 38.2 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | 78 | 108.9 | 164.3 | -91.1 | -112.4 | 0 | 0 | 0 | 116.9 | S242 | Y240-S242 WeakPolarHBondContact CD1-OG 3.2Å; Y240-S242 WeakPolarHBondContact CE1-OG 3.42Å | ||
| 241 | E | 40.2 | Very low | 38.4 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | cis | 47.4 | 70 | 21.6 | -94.6 | -80.7 | 160.7 | 0 | 0 | 113.3 | ||||
| 242 | S | 39.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 151.2 Ų | 151.2 | 50% | 0.497 | 80% | 0.802 | S | S | . | * | trans | -170.9 | 147.4 | 147.4 | -77.6 | 0 | 0 | 0 | 0 | 107.4 | Y240 | Y240-S242 WeakPolarHBondContact CD1-OG 3.2Å; Y240-S242 WeakPolarHBondContact CE1-OG 3.42Å | ||
| 243 | F | 36 | Very low | 38.4 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | 109.9 | 6.2 | 176 | -64.3 | -74.7 | 0 | 0 | 0 | 118.6 | ||||
| 244 | Y | 40.8 | Very low | 38.2 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 97% | 0.973 | 81% | 0.805 | S | S | * | * | trans | -104.3 | 58.9 | 158.4 | -94.5 | -79.9 | 0 | 0 | 0 | 111.7 | ||||
| 245 | E | 36.3 | Very low | 38.8 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -148.3 | 91.4 | 162.6 | -165 | 151.4 | -159.8 | 0 | 0 | 109 | ||||
| 246 | S | 37.7 | Very low | 38.5 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -159 | 119.5 | 159 | -76 | 0 | 0 | 0 | 0 | 109 | ||||
| 247 | T | 39.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 138.5 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 248 | S | 37.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 124.1 | 173.9 | -166.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 249 | P | 49 | Very low | 40.8 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88 | 127.2 | 164.9 | 1.8 | 17.3 | 0 | 0 | 0 | 109.7 | C251 | P249-C251 PolarHBondContact O-N 3Š|
| 250 | E | 39.1 | Very low | 41.7 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118.1 | 166.8 | -70.5 | 146 | 137.3 | 0 | 0 | 110.2 | ||
| 251 | C | 39.6 | Very low | 42.6 | Very low | 117 Ų | 117 | 145 Ų | 145 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -119.4 | 108.8 | 167 | -75.6 | 0 | 0 | 0 | 0 | 108.2 | P249 S253 | P249-C251 PolarHBondContact O-N 3Å; C251-S253 PolarHBondContact O-N 3.3Å | ||
| 252 | A | 42.2 | Very low | 43.5 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 125 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 253 | S | 37.8 | Very low | 44.6 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.6 | 170.3 | -68.8 | 0 | 0 | 0 | 0 | 109.7 | C251 | C251-S253 PolarHBondContact O-N 3.3Š|
| 254 | P | 44.9 | Very low | 45.5 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 135.9 | 175 | 26.3 | -29.7 | 0 | 0 | 0 | 110.3 | F256 | P254-F256 PolarHBondContact O-N 3.43Š|
| 255 | Q | 44.5 | Very low | 46.1 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -54.4 | 108.5 | 172.6 | -86.2 | 166.8 | -51.3 | 0 | 0 | 110 | E257 | Q255-E257 PolarHBondContact O-N 2.92Š| ||
| 256 | F | 37.8 | Very low | 46.4 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 102.4 | 166.3 | -166.9 | -99.4 | 0 | 0 | 0 | 108 | P254 G258 | P254-F256 PolarHBondContact O-N 3.43Å; F256-G258 PolarHBondContact O-N 2.93Å; F256-G258 VanDerWaalsContact O-N 3.09Å | ||
| 257 | E | 48 | Very low | 46.6 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 101.7 | 173 | -154.5 | 173.8 | -157.4 | 0 | 0 | 108.2 | Q255 | Q255-E257 PolarHBondContact O-N 2.92Š| ||
| 258 | G | 46.3 | Very low | 46.9 | Very low | 45 Ų | 45 | 138.3 Ų | 138.3 | 46% | 0.464 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 146 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | F256 L260 | F256-G258 PolarHBondContact O-N 2.93Å; F256-G258 VanDerWaalsContact O-N 3.09Å; G258-L260 PolarHBondContact O-N 3.42Å; G258-L260 VanDerWaalsContact O-N 3.17Å |
| 259 | P | 53.2 | Low | 47.2 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 121.7 | -179.6 | 24.7 | -31.6 | 0 | 0 | 0 | 110.6 | S261 | P259-S261 PolarHBondContact O-N 2.97Š|
| 260 | L | 52.6 | Low | 47.3 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 116.5 | 174.1 | -64.4 | 164.7 | 0 | 0 | 0 | 110 | G258 | G258-L260 PolarHBondContact O-N 3.42Å; G258-L260 VanDerWaalsContact O-N 3.17Å |
| 261 | S | 52.4 | Low | 47.1 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.3 | 165.8 | -75.9 | 0 | 0 | 0 | 0 | 109.3 | P259 | P259-S261 PolarHBondContact O-N 2.97Š|
| 262 | P | 58.3 | Low | 47.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.5 | 176.3 | 26.6 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 263 | P | 62.5 | Low | 47.2 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.8 | -178.5 | 26.7 | -33.8 | 0 | 0 | 0 | 110.9 | I265 | P263-I265 PolarHBondContact O-N 3.39Š|
| 264 | P | 55 | Low | 47.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65 | 126.7 | 175.2 | 26 | -31.8 | 0 | 0 | 0 | 110.1 | N266 | P264-N266 PolarHBondContact O-N 3.46Š|
| 265 | I | 53.4 | Low | 46.9 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.6 | 175.5 | -62.1 | 165.7 | 0 | 0 | 0 | 108 | P263 Y267 | P263-I265 PolarHBondContact O-N 3.39Å; I265-Y267 HydrophobicContact CG2-CD2 4.5Å; I265-Y267 PolarHBondContact O-N 3.05Å |
| 266 | N | 44.2 | Very low | 46.2 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -75.1 | 109.8 | 177.9 | -161 | 3.8 | 0 | 0 | 0 | 109.3 | P264 | P264-N266 PolarHBondContact O-N 3.46Š| ||
| 267 | Y | 41.1 | Very low | 45.9 | Very low | 214 Ų | 214 | 149.6 Ų | 149.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -96.5 | 106.8 | 167.2 | -118.1 | -91.6 | 0 | 0 | 0 | 108.1 | I265 G269 | I265-Y267 HydrophobicContact CG2-CD2 4.5Å; I265-Y267 PolarHBondContact O-N 3.05Å; Y267-G269 PolarHBondContact O-N 3.48Å | ||
| 268 | N | 46.2 | Very low | 45.4 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -62.5 | 113.8 | 168.7 | -85.4 | -4 | 0 | 0 | 0 | 109.4 | ||||
| 269 | G | 43.7 | Very low | 44.8 | Very low | 60 Ų | 60 | 152 Ų | 152 | 62% | 0.619 | 83% | 0.825 | S | S | * | * | trans | -169.3 | 75.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y267 F271 | Y267-G269 PolarHBondContact O-N 3.48Å; G269-F271 PolarHBondContact O-N 2.98Å | ||
| 270 | I | 50.2 | Low | 44.3 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 42 | 68 | 148.3 | -31 | 174.6 | 0 | 0 | 0 | 117.6 | ||
| 271 | F | 36.1 | Very low | 43.5 | Very low | 207 Ų | 207 | 156 Ų | 156 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | -151.6 | 100.6 | 149.1 | -91.6 | -78.8 | 0 | 0 | 0 | 109.2 | G269 L273 | G269-F271 PolarHBondContact O-N 2.98Å; F271-L273 PolarHBondContact O-N 2.86Å | ||
| 272 | S | 43.8 | Very low | 43.1 | Very low | 131 Ų | 131 | 154.2 Ų | 154.2 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -76 | 99.3 | 166.7 | -79.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 273 | L | 40.2 | Very low | 42 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -84 | 117.9 | 161.2 | -170.7 | 66.3 | 0 | 0 | 0 | 107.7 | F271 Q275 | F271-L273 PolarHBondContact O-N 2.86Å; L273-Q275 PolarHBondContact O-N 2.96Å | ||
| 274 | K | 38.7 | Very low | 40.6 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -57.3 | 129.2 | 174.3 | -80.1 | -176.2 | 170.9 | -176.6 | 0 | 109.6 | E276 | K274-E276 PolarHBondContact O-N 3.37Š| ||
| 275 | Q | 36.4 | Very low | 39.7 | Very low | 202 Ų | 202 | 161.4 Ų | 161.4 | 94% | 0.944 | 82% | 0.823 | S | S | * | * | trans | -58.4 | 108.9 | 167.1 | -173.2 | 173.1 | 10.5 | 0 | 0 | 108.7 | L273 | L273-Q275 PolarHBondContact O-N 2.96Š| ||
| 276 | E | 30.3 | Very low | 39 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -105.5 | 136.9 | 166.8 | -165.4 | 175.2 | -172.4 | 0 | 0 | 107.9 | K274 | K274-E276 PolarHBondContact O-N 3.37Š| ||
| 277 | E | 30.7 | Very low | 38.9 | Very low | 175 Ų | 175 | 165.3 Ų | 165.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -69.5 | 141.1 | -164.2 | -158.7 | 172.2 | 175.4 | 0 | 0 | 112.6 | L279 | E277-L279 PolarHBondContact O-N 3.39Š| ||
| 278 | S | 38 | Very low | 39 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 111.2 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 279 | L | 34.7 | Very low | 39.2 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -101.1 | 133.4 | 163.3 | -102 | 91.8 | 0 | 0 | 0 | 111.3 | E277 | E277-L279 PolarHBondContact O-N 3.39Š| ||
| 280 | D | 41.6 | Very low | 39.2 | Very low | 161 Ų | 161 | 163.9 Ų | 163.9 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -32 | 125.7 | 178.9 | -73.5 | -65 | 0 | 0 | 0 | 116.8 | ||||
| 281 | Y | 35.6 | Very low | 38.6 | Very low | 218 Ų | 218 | 165.4 Ų | 165.4 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -120.3 | 67.3 | 161 | -112.1 | -88 | 0 | 0 | 0 | 111 | K283 | Y281-K283 PolarHBondContact O-N 3.48Š| ||
| 282 | G | 43.7 | Very low | 38.8 | Very low | 74 Ų | 74 | 161.8 Ų | 161.8 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -85.7 | 78.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 283 | K | 36.4 | Very low | 38.6 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -140.4 | 90.5 | 164.1 | -76 | -173.4 | -179.3 | 173.3 | 0 | 110.4 | Y281 Y285 | Y281-K283 PolarHBondContact O-N 3.48Å; K283-Y285 PolarHBondContact O-N 3.38Å | ||
| 284 | N | 32.5 | Very low | 39 | Very low | 154 Ų | 154 | 158.6 Ų | 158.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -61.5 | 116.2 | 166.7 | -91.4 | 4.1 | 0 | 0 | 0 | 109.9 | N286 | N284-N286 PolarHBondContact O-N 3.22Š| ||
| 285 | Y | 36.6 | Very low | 39.5 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -84.5 | 96.6 | 161 | -69.7 | -80.8 | 0 | 0 | 0 | 108.4 | K283 Y287 | K283-Y285 PolarHBondContact O-N 3.38Å; Y285-Y287 PolarHBondContact O-N 3.18Å | ||
| 286 | N | 38.6 | Very low | 39.6 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 108.7 | 166 | -82.5 | 11.3 | 0 | 0 | 0 | 108.8 | N284 G288 | N284-N286 PolarHBondContact O-N 3.22Å; N286-G288 VanDerWaalsContact C-N 3.32Å; N286-G288 PolarHBondContact O-N 3.41Å; N286-G288 VanDerWaalsContact O-N 3.08Å | ||
| 287 | Y | 42.6 | Very low | 40.1 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 87.9 | 161.7 | -84.6 | -90.2 | 0 | 0 | 0 | 108.7 | Y285 | Y285-Y287 PolarHBondContact O-N 3.18Š| ||
| 288 | G | 42.1 | Very low | 40.5 | Very low | 51 Ų | 51 | 148.7 Ų | 148.7 | 53% | 0.526 | 80% | 0.797 | S | S | . | * | trans | -90.7 | 118.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N286 H290 | N286-G288 VanDerWaalsContact C-N 3.32Å; N286-G288 PolarHBondContact O-N 3.41Å; N286-G288 VanDerWaalsContact O-N 3.08Å; G288-H290 PolarHBondContact O-N 3.08Å | ||
| 289 | M | 50 | Low | 40.8 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -69 | 111.7 | 170.5 | -70 | -69.2 | -74.1 | 0 | 0 | 109.5 | Y291 | M289-Y291 HydrophobicContact CB-CD2 4.29Å; M289-Y291 HydrophobicContact CB-CE2 4.31Å; M289-Y291 HydrophobicContact CE-CE2 4.25Å; M289-Y291 PolarHBondContact O-N 3.22Å; M289-Y291 VanDerWaalsContact O-N 3.12Å | ||
| 290 | H | 43.6 | Very low | 41 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 93.7 | 173.4 | -64.5 | -72.2 | 0 | 0 | 0 | 110 | G288 | G288-H290 PolarHBondContact O-N 3.08Š| ||
| 291 | Y | 38.5 | Very low | 40.6 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 124 | 158.5 | -80.4 | -88.9 | 0 | 0 | 0 | 108.6 | M289 A293 | M289-Y291 HydrophobicContact CB-CD2 4.29Å; M289-Y291 HydrophobicContact CB-CE2 4.31Å; M289-Y291 HydrophobicContact CE-CE2 4.25Å; M289-Y291 PolarHBondContact O-N 3.22Å; M289-Y291 VanDerWaalsContact O-N 3.12Å; Y291-A293 PolarHBondContact O-N 3.28Å | ||
| 292 | C | 39.7 | Very low | 40.6 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 106.3 | 168.5 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | V294 | C292-V294 PolarHBondContact O-N 3.32Š| ||
| 293 | A | 39.8 | Very low | 40.1 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 117.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y291 | Y291-A293 PolarHBondContact O-N 3.28Š|
| 294 | V | 48.9 | Very low | 40 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 132.3 | 168.9 | -169.1 | 0 | 0 | 0 | 0 | 107.5 | C292 | C292-V294 PolarHBondContact O-N 3.32Š|
| 295 | P | 48.8 | Very low | 40.3 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.3 | -177.3 | 26.2 | -31.7 | 0 | 0 | 0 | 111.7 | ||
| 296 | P | 38.7 | Very low | 40.3 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.5 | 178.6 | 30.8 | -31.3 | 0 | 0 | 0 | 110.3 | ||
| 297 | R | 41.6 | Very low | 40.2 | Very low | 249 Ų | 249 | 148.6 Ų | 148.6 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118.1 | 165.7 | -78.7 | -165.1 | 168.1 | -171.2 | -2.4 | 109.4 | ||
| 298 | G | 37.8 | Very low | 39.8 | Very low | 69 Ų | 69 | 145.1 Ų | 145.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 158.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 299 | P | 44.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 136.2 | -173.8 | 35.4 | -28 | 0 | 0 | 0 | 111.2 | ||
| 300 | L | 39.7 | Very low | 39.5 | Very low | 184 Ų | 184 | 146 Ų | 146 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -178.2 | 127.3 | 151.4 | -102.1 | 139.5 | 0 | 0 | 0 | 112.7 | ||||
| 301 | G | 34 | Very low | 38.8 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 84.7 | 96.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 302 | Q | 36 | Very low | 38.6 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -87.2 | 124 | 157.9 | -72.3 | 179.5 | 2.2 | 0 | 0 | 110 | ||||
| 303 | S | 32.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -162.8 | 129.7 | 148.5 | -83.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 304 | S | 33.7 | Very low | 38.1 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 91.1 | 101 | 149.8 | -151.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 305 | M | 39.8 | Very low | 37.9 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | 56.5 | 119.1 | 122.4 | -57.5 | -67.6 | -93.6 | 0 | 0 | 122.6 | |||||
| 306 | F | 35.1 | Very low | 37.2 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 79% | 0.789 | 81% | 0.813 | S | S | * | * | trans | 54.4 | 112 | 144.1 | -80.5 | -91.6 | 0 | 0 | 0 | 120 | ||||
| 307 | R | 37.6 | Very low | 37.1 | Very low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | -168 | 121.1 | 119.2 | -81.9 | -127.6 | -173.8 | -158.1 | 3.6 | 111.1 | |||||
| 308 | L | 33.2 | Very low | 37.1 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -94.3 | 161.7 | 150.9 | -94.8 | 158.2 | 0 | 0 | 0 | 106.7 | ||||
| 309 | P | 49.9 | Very low | 37.2 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | -153.5 | 179 | 41 | 44.6 | -23.5 | 0 | 0 | 0 | 118.9 | ||||
| 310 | T | 36.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 63.8 | 138.1 | 154.2 | 64.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 311 | E | 30.2 | Very low | 36.8 | Very low | 178 Ų | 178 | 157.5 Ų | 157.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | cis | -169.4 | 140.3 | 16.6 | -136 | -167.9 | -171.9 | 0 | 0 | 107 | ||||
| 312 | S | 33.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 162.5 | 107.8 | 138.5 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 313 | H | 36.4 | Very low | 36.6 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | -56.2 | 144.5 | 172.1 | -92 | -93.7 | 0 | 0 | 0 | 113.9 | ||||
| 314 | F | 32.2 | Very low | 36.5 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | -171.2 | 155.3 | 116.8 | -96.3 | -64.8 | 0 | 0 | 0 | 110 | |||||
| 315 | P | 45.3 | Very low | 36.7 | Very low | 91 Ų | 91 | 159.2 Ų | 159.2 | 59% | 0.591 | 79% | 0.793 | S | S | * | * | -123.1 | 150.3 | -125.1 | 16.3 | 10 | 0 | 0 | 0 | 113.6 | |||||
| 316 | Y | 33.8 | Very low | 36.5 | Very low | 231 Ų | 231 | 158 Ų | 158 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | 62.6 | 106.8 | 149.7 | -83.5 | -84.1 | 0 | 0 | 0 | 121.1 | ||||
| 317 | D | 37.3 | Very low | 36.5 | Very low | 139 Ų | 139 | 157.1 Ų | 157.1 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -83.2 | 175.1 | 157.6 | -144.2 | -17.5 | 0 | 0 | 0 | 111.6 | ||||
| 318 | L | 40.1 | Very low | 36.3 | Very low | 117 Ų | 117 | 155 Ų | 155 | 61% | 0.613 | 80% | 0.795 | S | S | * | * | trans | 82.7 | 119.7 | 160.1 | -96.6 | 75.3 | 0 | 0 | 0 | 120.2 | ||||
| 319 | H | 41.2 | Very low | 36.5 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | -175.3 | 124.3 | 85.4 | -85.7 | 92.4 | 0 | 0 | 0 | 112.2 | |||||
| 320 | L | 44 | Very low | 36.1 | Very low | 182 Ų | 182 | 158.4 Ų | 158.4 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | -89.3 | 125.4 | 163 | -133.8 | 82.8 | 0 | 0 | 0 | 108.3 | ||||
| 321 | R | 32.1 | Very low | 36.5 | Very low | 243 Ų | 243 | 161 Ų | 161 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -149.2 | 118.6 | 161.4 | -165.2 | 169.5 | -175.4 | 173.3 | 1.1 | 112.3 | ||||
| 322 | S | 33.2 | Very low | 37 | Very low | 101 Ų | 101 | 160.7 Ų | 160.7 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -70 | 133.7 | 164 | 171.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 323 | Q | 32.2 | Very low | 37.3 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 166.6 | 147.8 | 124.5 | -97.3 | -175.7 | 46.8 | 0 | 0 | 114.4 | |||||
| 324 | S | 30.5 | Very low | 37.4 | Very low | 105 Ų | 105 | 156.7 Ų | 156.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 79.6 | 115.1 | 145 | 61.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 325 | L | 37.2 | Very low | 37.8 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -28.3 | 140.5 | 142.5 | -86.3 | 69.4 | 0 | 0 | 0 | 113.6 | ||||
| 326 | T | 34.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | 178.8 | 134.2 | 122.2 | 26.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 327 | M | 34.8 | Very low | 37.5 | Very low | 162 Ų | 162 | 160.5 Ų | 160.5 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | trans | 66.8 | 103.8 | 146.1 | -57.1 | -70.7 | 157.5 | 0 | 0 | 118.8 | ||||
| 328 | Q | 34.6 | Very low | 37.5 | Very low | 203 Ų | 203 | 161.6 Ų | 161.6 | 95% | 0.949 | 84% | 0.836 | S | S | * | * | trans | -145.5 | 68.6 | 147.3 | -120.6 | 164.3 | 8.8 | 0 | 0 | 109.5 | ||||
| 329 | D | 38 | Very low | 37.4 | Very low | 147 Ų | 147 | 163.9 Ų | 163.9 | 79% | 0.786 | 85% | 0.848 | S | S | * | * | trans | -75.1 | 157.6 | 145.6 | -91.1 | -42.7 | 0 | 0 | 0 | 108.6 | ||||
| 330 | E | 41.5 | Very low | 37.1 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 85% | 0.851 | S | S | * | * | trans | 81.1 | 80.8 | 175.2 | -62.9 | -166.6 | 125.2 | 0 | 0 | 118.5 | ||||
| 331 | L | 42.9 | Very low | 36.7 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 93% | 0.927 | 85% | 0.845 | S | S | * | * | trans | -139.7 | 64 | 139.1 | -78.2 | -179.6 | 0 | 0 | 0 | 110.1 | ||||
| 332 | N | 41.9 | Very low | 37 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 91% | 0.914 | 84% | 0.84 | S | S | * | * | trans | -125.8 | 82.2 | 168.8 | -101.4 | -20.5 | 0 | 0 | 0 | 110 | ||||
| 333 | A | 39.5 | Very low | 37.3 | Very low | 88 Ų | 88 | 161 Ų | 161 | 73% | 0.727 | 85% | 0.849 | S | S | * | * | trans | -179.9 | 120.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 334 | V | 38.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 73% | 0.733 | 85% | 0.852 | S | S | * | * | -169.5 | 132.5 | 54.7 | 166 | 0 | 0 | 0 | 0 | 104.8 | |||||
| 335 | F | 40.6 | Very low | 38.2 | Very low | 188 Ų | 188 | 164.5 Ų | 164.5 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | trans | 162.3 | 91.2 | 145.7 | -89.2 | -65.8 | 0 | 0 | 0 | 109.1 | ||||
| 336 | H | 36.6 | Very low | 38.3 | Very low | 178 Ų | 178 | 164.9 Ų | 164.9 | 82% | 0.824 | 86% | 0.864 | S | S | * | * | 158 | 125.7 | 130 | -90.7 | -72.4 | 0 | 0 | 0 | 112.8 | |||||
| 337 | N | 35.4 | Very low | 38.6 | Very low | 236 Ų | 236 | 168.5 Ų | 168.5 | 100% | 1.262 | 87% | 0.873 | S | S | * | * | trans | 68 | 0 | 169.5 | -76.7 | -39.9 | 0 | 0 | 0 | 119.2 |
Retrieved 337 of 337 residues in 113.6 ms
(Link to these results)