| 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 | 43.9 | Very low | 51.9 | Low | 237 Ų | 237 | 158.5 Ų | 158.5 | 100% | 1.167 | 82% | 0.82 | S | S | * | * | 0 | 79.2 | 0 | -69.9 | 172.4 | 168.5 | 0 | 0 | 104.8 | |||||
| 2 | S | 48.2 | Very low | 51.5 | Low | 97 Ų | 97 | 156 Ų | 156 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | 72.8 | 98.9 | 100.6 | 55.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 3 | D | 46.3 | Very low | 51.3 | Low | 164 Ų | 164 | 158.8 Ų | 158.8 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | 70.4 | 136.3 | 94.2 | -82.1 | -42.7 | 0 | 0 | 0 | 111.2 | |||||
| 4 | A | 52.5 | Low | 51.1 | Low | 80 Ų | 80 | 161.2 Ų | 161.2 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | cis | -165.5 | 151.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | R | 47 | Very low | 50.6 | Low | 229 Ų | 229 | 163.9 Ų | 163.9 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 15.2 | 122.1 | 149.6 | -58.3 | 177.1 | 178.8 | 138.6 | 0.5 | 120.1 | ||||
| 6 | D | 60.8 | Low | 49.9 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -115.7 | 124.7 | 144 | -81.9 | -44.7 | 0 | 0 | 0 | 108.1 | ||||
| 7 | N | 55.6 | Low | 49.2 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -85.3 | 129.1 | 174.1 | -87.8 | -7 | 0 | 0 | 0 | 109 | ||||
| 8 | D | 54.5 | Low | 49 | Very low | 151 Ų | 151 | 159.7 Ų | 159.7 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -103.3 | 100.7 | 174.8 | -167.3 | 5.6 | 0 | 0 | 0 | 107 | ||||
| 9 | D | 54.9 | Low | 48.8 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -102.8 | 95.4 | 171.5 | -85.2 | -38.6 | 0 | 0 | 0 | 108.7 | ||||
| 10 | R | 51.4 | Low | 48.4 | Very low | 204 Ų | 204 | 157.5 Ų | 157.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -83.1 | 109.8 | 172.3 | 179.1 | -178.4 | 175.4 | 124.8 | 0.7 | 109 | D12 | R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NH2-OD1 3.98Å | ||
| 11 | V | 55.6 | Low | 48.6 | Very low | 120 Ų | 120 | 157 Ų | 157 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -92.8 | 113.1 | 166.9 | -76.6 | 0 | 0 | 0 | 0 | 109.3 | F13 | V11-F13 HydrophobicContact CG2-CE2 4.47Å; V11-F13 PolarHBondContact O-N 3.49Å | ||
| 12 | D | 47.9 | Very low | 48.4 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 118.9 | 170.1 | -75.9 | -36.3 | 0 | 0 | 0 | 108.7 | R10 | R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NH2-OD1 3.98Å | ||
| 13 | F | 48.5 | Very low | 48.2 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -85.9 | 110.9 | 167.2 | -91.2 | -94.4 | 0 | 0 | 0 | 108.4 | V11 | V11-F13 HydrophobicContact CG2-CE2 4.47Å; V11-F13 PolarHBondContact O-N 3.49Å | ||
| 14 | E | 48 | Very low | 48.1 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -71 | 134.4 | 169.2 | -79.2 | -170.6 | 159.4 | 0 | 0 | 110.9 | G16 | E14-G16 PolarHBondContact O-N 3.35Š| ||
| 15 | E | 43.7 | Very low | 47.8 | Very low | 202 Ų | 202 | 158.5 Ų | 158.5 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 102.3 | -174.5 | -165.4 | 172.1 | -164.3 | 0 | 0 | 110.6 | ||||
| 16 | G | 39.7 | Very low | 47.8 | Very low | 75 Ų | 75 | 156.4 Ų | 156.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -95.9 | 90 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E14 Y18 | E14-G16 PolarHBondContact O-N 3.35Å; G16-Y18 PolarHBondContact O-N 2.86Å | ||
| 17 | S | 38.3 | Very low | 46.8 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -13.8 | 100.3 | 165.5 | 178.6 | 0 | 0 | 0 | 0 | 116.6 | S19 | S17-S19 PolarHBondContact O-N 3.18Š| ||
| 18 | Y | 45.4 | Very low | 46.3 | Very low | 227 Ų | 227 | 158.5 Ų | 158.5 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 105.8 | 164.9 | -151.7 | -98.6 | 0 | 0 | 0 | 108.4 | G16 E20 | G16-Y18 PolarHBondContact O-N 2.86Å; Y18-E20 PolarHBondContact O-N 3.48Å | ||
| 19 | S | 45.4 | Very low | 45.4 | Very low | 86 Ų | 86 | 160.1 Ų | 160.1 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 110.7 | 173.2 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | S17 M21 | S17-S19 PolarHBondContact O-N 3.18Å; S19-M21 PolarHBondContact O-N 3.43Å | ||
| 20 | E | 41.3 | Very low | 44.7 | Very low | 189 Ų | 189 | 158.6 Ų | 158.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -49.8 | 115.4 | 164.2 | -79.5 | 173 | 131.4 | 0 | 0 | 109.7 | Y18 | Y18-E20 PolarHBondContact O-N 3.48Š| ||
| 21 | M | 51.6 | Low | 44.2 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -96.9 | 123.5 | 159.9 | -72.5 | -164.3 | -149.3 | 0 | 0 | 108.1 | S19 D23 | S19-M21 PolarHBondContact O-N 3.43Å; M21-D23 PolarHBondContact O-N 3.21Å | ||
| 22 | E | 39.4 | Very low | 43.2 | Very low | 182 Ų | 182 | 158 Ų | 158 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -64.4 | 105.9 | 178.7 | -61.9 | 170 | 157.1 | 0 | 0 | 109.8 | E24 | E22-E24 PolarHBondContact O-N 2.74Å; E22-E24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | D | 44.3 | Very low | 42.8 | Very low | 140 Ų | 140 | 160.6 Ų | 160.6 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 93.6 | 163.8 | -82.2 | -31.5 | 0 | 0 | 0 | 108.6 | M21 V25 | M21-D23 PolarHBondContact O-N 3.21Å; D23-V25 VanDerWaalsContact C-N 3.27Å; D23-V25 PolarHBondContact O-N 2.9Å | ||
| 24 | E | 44 | Very low | 42.3 | Very low | 186 Ų | 186 | 159.5 Ų | 159.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -65.1 | 90.2 | 159.1 | -82.2 | -177.1 | 156.1 | 0 | 0 | 108.4 | E22 E26 | E22-E24 PolarHBondContact O-N 2.74Å; E22-E24 VanDerWaalsContact O-N 3.13Å; E24-E26 PolarHBondContact O-N 2.83Å | ||
| 25 | V | 47.7 | Very low | 41.8 | Very low | 100 Ų | 100 | 158.2 Ų | 158.2 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | trans | -78.3 | 109.9 | 166 | -108.3 | 0 | 0 | 0 | 0 | 108.1 | D23 E27 | D23-V25 VanDerWaalsContact C-N 3.27Å; D23-V25 PolarHBondContact O-N 2.9Å; V25-E27 PolarHBondContact O-N 3.39Å | ||
| 26 | E | 46.6 | Very low | 41.7 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -59.3 | 120.7 | 168.3 | -73.4 | -176.5 | 149.9 | 0 | 0 | 109 | E24 E28 | E24-E26 PolarHBondContact O-N 2.83Å; E26-E28 PolarHBondContact O-N 2.87Å | ||
| 27 | E | 39.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 162 Ų | 162 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -66.7 | 98.1 | 172.3 | -67 | -179 | 168.5 | 0 | 0 | 109.2 | V25 Q29 | V25-E27 PolarHBondContact O-N 3.39Å; E27-Q29 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | E | 44.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 164.5 Ų | 164.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -70.3 | 107.8 | 166.2 | -76.1 | -163.8 | 153.6 | 0 | 0 | 109.3 | E26 V30 | E26-E28 PolarHBondContact O-N 2.87Å; E28-V30 PolarHBondContact O-N 3.27Å | ||
| 29 | Q | 35.9 | Very low | 41.5 | Very low | 185 Ų | 185 | 162 Ų | 162 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -62.7 | 100.9 | 165.1 | -78.5 | 168.9 | 87.8 | 0 | 0 | 108.6 | E27 E31 | E27-Q29 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact O-N 3.16Å; Q29-E31 PolarHBondContact O-N 3.02Å; Q29-E31 VanDerWaalsContact O-N 3.17Å | ||
| 30 | V | 40 | Very low | 41.5 | Very low | 119 Ų | 119 | 165 Ų | 165 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -72.7 | 101.7 | 165.1 | -173.4 | 0 | 0 | 0 | 0 | 106.5 | E28 E32 | E28-V30 PolarHBondContact O-N 3.27Å; V30-E32 PolarHBondContact O-N 3.33Å | ||
| 31 | E | 39.4 | Very low | 41.4 | Very low | 136 Ų | 136 | 162.7 Ų | 162.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -64.1 | 114.5 | 166.6 | -75.4 | -161.5 | 166.8 | 0 | 0 | 108.6 | Q29 Y33 | Q29-E31 PolarHBondContact O-N 3.02Å; Q29-E31 VanDerWaalsContact O-N 3.17Å; E31-Y33 HydrophobicContact CB-CD2 4.3Å; E31-Y33 HydrophobicContact CB-CE2 3.74Å; E31-Y33 WeakPolarHBondContact O-CD2 3.21Å; E31-Y33 PolarHBondContact O-N 3.4Å; E31-Y33 PolarHBondContact OE2-OH 3.23Å | ||
| 32 | E | 36.5 | Very low | 41.3 | Very low | 176 Ų | 176 | 163.4 Ų | 163.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 101.5 | 173.8 | -162.3 | 169 | -149.1 | 0 | 0 | 107.7 | V30 | V30-E32 PolarHBondContact O-N 3.33Š| ||
| 33 | Y | 38.2 | Very low | 41.5 | Very low | 183 Ų | 183 | 161.6 Ų | 161.6 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 102.5 | 167.3 | -72.2 | -91.2 | 0 | 0 | 0 | 107.1 | E31 E35 | E31-Y33 HydrophobicContact CB-CD2 4.3Å; E31-Y33 HydrophobicContact CB-CE2 3.74Å; E31-Y33 WeakPolarHBondContact O-CD2 3.21Å; E31-Y33 PolarHBondContact O-N 3.4Å; E31-Y33 PolarHBondContact OE2-OH 3.23Å; Y33-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | E | 38.7 | Very low | 41.6 | Very low | 168 Ų | 168 | 162.7 Ų | 162.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 100.2 | 165.3 | -66.7 | 178.6 | 157.9 | 0 | 0 | 107.8 | E36 | E34-E36 PolarHBondContact O-N 3.24Š| ||
| 35 | E | 38.1 | Very low | 41.7 | Very low | 166 Ų | 166 | 160.6 Ų | 160.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -82.5 | 105.9 | 164 | -79.3 | -171.4 | 160.2 | 0 | 0 | 107.5 | Y33 E37 | Y33-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact O-N 3.1Å; E35-E37 PolarHBondContact O-N 3.46Å | ||
| 36 | E | 40 | Very low | 41.6 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 110.1 | 167.5 | -65.7 | -176.4 | 161.6 | 0 | 0 | 108.3 | E34 E38 | E34-E36 PolarHBondContact O-N 3.24Å; E36-E38 PolarHBondContact O-N 3.49Å | ||
| 37 | E | 38.4 | Very low | 41.2 | Very low | 185 Ų | 185 | 155.8 Ų | 155.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 108.4 | 168.5 | -67.1 | -163.5 | 167.4 | 0 | 0 | 108.7 | E35 E39 | E35-E37 PolarHBondContact O-N 3.46Å; E37-E39 PolarHBondContact O-N 3.48Å | ||
| 38 | E | 42.9 | Very low | 41.2 | Very low | 166 Ų | 166 | 154 Ų | 154 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 114 | 164.4 | -68.4 | -155.2 | 166.5 | 0 | 0 | 108.9 | E36 D40 | E36-E38 PolarHBondContact O-N 3.49Å; E38-D40 PolarHBondContact O-N 3.18Å | ||
| 39 | E | 38 | Very low | 40.9 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -69.9 | 106.3 | 169 | -66.9 | 177.3 | 161.4 | 0 | 0 | 109.1 | E37 | E37-E39 PolarHBondContact O-N 3.48Š| ||
| 40 | D | 45 | Very low | 41.1 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -96.7 | 100.5 | 165.4 | -82.7 | -32.3 | 0 | 0 | 0 | 109.4 | E38 | E38-D40 PolarHBondContact O-N 3.18Š| ||
| 41 | D | 39.2 | Very low | 40.8 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 122 | 162.4 | -74.8 | -46.6 | 0 | 0 | 0 | 110 | ||||
| 42 | D | 51 | Low | 41 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 101 | 156.9 | -92.3 | -37.8 | 0 | 0 | 0 | 109.8 | ||||
| 43 | D | 43.3 | Very low | 41 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 158.1 | 164.4 | -85.9 | -51.7 | 0 | 0 | 0 | 111.9 | ||||
| 44 | D | 46 | Very low | 41.3 | Very low | 163 Ų | 163 | 155 Ų | 155 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 117.1 | 137.2 | 156.7 | -63.7 | -30.6 | 0 | 0 | 0 | 115.3 | ||||
| 45 | D | 45.5 | Very low | 41.4 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | cis | -178 | 154.1 | -30.3 | 177.8 | 26 | 0 | 0 | 0 | 104.9 | ||||
| 46 | V | 46.5 | Very low | 41.3 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 58.6 | 97.1 | 165.8 | -141.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 47 | G | 37.5 | Very low | 41.4 | Very low | 71 Ų | 71 | 154.3 Ų | 154.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | 50.5 | 128.2 | 102.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 48 | N | 41 | Very low | 41.4 | Very low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | -165.2 | 149.6 | 109.2 | -163.9 | 22.5 | 0 | 0 | 0 | 112.5 | |||||
| 49 | Q | 38.9 | Very low | 41.3 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 149.5 | -170.6 | -58.4 | 148.6 | 15.2 | 0 | 0 | 114.3 | ||||
| 50 | N | 39.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | -168.8 | 128.2 | 112.4 | -98.9 | -13.9 | 0 | 0 | 0 | 112.3 | |||||
| 51 | A | 34.1 | Very low | 40.8 | Very low | 87 Ų | 87 | 149.2 Ų | 149.2 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -79.7 | 145.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 52 | E | 44.3 | Very low | 40.9 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -143.6 | 126 | 141.3 | -74.8 | -160.2 | 165.7 | 0 | 0 | 109.8 | ||||
| 53 | E | 36.1 | Very low | 40.6 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 150.4 | 176.9 | -57.5 | 163.8 | 154.1 | 0 | 0 | 110.5 | ||||
| 54 | R | 44 | Very low | 40 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -165.4 | 100.6 | 145.2 | -111.1 | 174.6 | -122.5 | -168.9 | 1.5 | 113.5 | ||||
| 55 | E | 40.7 | Very low | 39.5 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 48.8 | 121.9 | 121.5 | -62.3 | -178.8 | 163.4 | 0 | 0 | 120.7 | |||||
| 56 | V | 36 | Very low | 39.1 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -83 | 129.4 | 170.6 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 57 | E | 42.9 | Very low | 39.1 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -128.3 | 115.7 | 160.1 | -73.2 | -155 | 169.6 | 0 | 0 | 111.3 | ||||
| 58 | D | 37.3 | Very low | 39.4 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -80.3 | 130.2 | 165.5 | 163.8 | 39.7 | 0 | 0 | 0 | 109.5 | ||||
| 59 | Y | 42 | Very low | 39.2 | Very low | 216 Ų | 216 | 152 Ų | 152 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -153.9 | 111.5 | 157.7 | -94.4 | -79.1 | 0 | 0 | 0 | 111.1 | ||||
| 60 | G | 38 | Very low | 39.3 | Very low | 62 Ų | 62 | 151.2 Ų | 151.2 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | 92.6 | 88 | 108 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 61 | D | 33.8 | Very low | 39.1 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -8.7 | 127.7 | 138 | -179.5 | 27.7 | 0 | 0 | 0 | 116.9 | ||||
| 62 | T | 41.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | -163.2 | 115.9 | 137.8 | 1.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 63 | K | 44.1 | Very low | 39.2 | Very low | 189 Ų | 189 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 76.2 | 117.6 | 134.9 | -79.3 | 177.1 | -178.9 | -171.9 | 0 | 121 | ||||
| 64 | G | 31.4 | Very low | 39.1 | Very low | 84 Ų | 84 | 153.7 Ų | 153.7 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -68.3 | 170.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 65 | G | 36 | Very low | 39.1 | Very low | 76 Ų | 76 | 148.1 Ų | 148.1 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -155 | 104.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 66 | D | 35.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -60.1 | 143.4 | 163.3 | -61.2 | -69.5 | 0 | 0 | 0 | 111.1 | ||||
| 67 | M | 47.1 | Very low | 39.3 | Very low | 186 Ų | 186 | 148 Ų | 148 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -163.2 | 88.7 | 156.3 | -102.3 | 175.2 | -167.5 | 0 | 0 | 106.2 | ||||
| 68 | E | 44 | Very low | 39.5 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | 71.2 | 118.7 | 85.3 | -76.2 | -168.5 | 173 | 0 | 0 | 114.5 | |||||
| 69 | D | 35.5 | Very low | 39.8 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -49.6 | 137.4 | 172.8 | -67 | -63.6 | 0 | 0 | 0 | 113.6 | ||||
| 70 | V | 42.7 | Very low | 40 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -137.5 | 98.1 | 153.3 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | Q | 33.2 | Very low | 40.3 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 150.6 | 149 | -78.2 | 163.5 | -2.4 | 0 | 0 | 108.4 | ||||
| 72 | E | 41.5 | Very low | 41.1 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 133.8 | 139.4 | 164.4 | -81.8 | -173.8 | -173.3 | 0 | 0 | 110.1 | ||||
| 73 | E | 39.6 | Very low | 41.2 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | cis | -156.4 | 162.8 | -11 | -78.6 | -136.2 | 148.6 | 0 | 0 | 107 | ||||
| 74 | I | 34.4 | Very low | 41.5 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 138.3 | 176.2 | -64.5 | 154.1 | 0 | 0 | 0 | 111.2 | E76 | I74-E76 HydrophobicContact CG2-CG 4.34Š| ||
| 75 | A | 43 | Very low | 42.1 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -142.5 | 125.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 76 | E | 38.2 | Very low | 42.5 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 172.2 | -179 | -59.3 | 173.7 | 159.7 | 0 | 0 | 111.5 | I74 | I74-E76 HydrophobicContact CG2-CG 4.34Š| ||
| 77 | D | 44.6 | Very low | 43.2 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 89.9 | 106.1 | 165.4 | -49.6 | -29.8 | 0 | 0 | 0 | 117.7 | ||||
| 78 | D | 45.6 | Very low | 43.2 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | 179.7 | 137 | 89.8 | -162.8 | 9 | 0 | 0 | 0 | 111.2 | |||||
| 79 | D | 44 | Very low | 43.5 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 130.6 | -173.7 | -71.9 | -53.2 | 0 | 0 | 0 | 112.7 | ||||
| 80 | N | 45.9 | Very low | 44.3 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -144.4 | 92.1 | 151.4 | -91.9 | -46.3 | 0 | 0 | 0 | 111 | I82 | N80-I82 PolarHBondContact O-N 2.9Š| ||
| 81 | H | 44.2 | Very low | 44.6 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -53.8 | 115.3 | 165.6 | 179.9 | 24.1 | 0 | 0 | 0 | 111.4 | D83 | H81-D83 VanDerWaalsContact CE1-CG 3.47Å; H81-D83 IonicContact CE1-OD1 3.65Å; H81-D83 PolarHBondContact CE1-OD1 3.32Å; H81-D83 IonicContact CE1-OD2 3.71Å; H81-D83 IonicContact ND1-OD1 3.87Å; H81-D83 IonicContact NE2-OD1 3.55Å; H81-D83 IonicContact NE2-OD2 3.37Å | ||
| 82 | I | 50.5 | Low | 45.1 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -122.6 | 112.5 | 160.8 | -64.5 | 173.6 | 0 | 0 | 0 | 106.5 | N80 I84 | N80-I82 PolarHBondContact O-N 2.9Å; I82-I84 PolarHBondContact O-N 3.27Å; I82-I84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | D | 44 | Very low | 45.2 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | -56.1 | 109 | 173.6 | -72.9 | -59.7 | 0 | 0 | 0 | 110.9 | H81 E85 | H81-D83 VanDerWaalsContact CE1-CG 3.47Å; H81-D83 IonicContact CE1-OD1 3.65Å; H81-D83 PolarHBondContact CE1-OD1 3.32Å; H81-D83 IonicContact CE1-OD2 3.71Å; H81-D83 IonicContact ND1-OD1 3.87Å; H81-D83 IonicContact NE2-OD1 3.55Å; H81-D83 IonicContact NE2-OD2 3.37Å; D83-E85 PolarHBondContact O-N 2.91Å | ||
| 84 | I | 50 | Low | 45.5 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -87.1 | 99.2 | 164.9 | -74.1 | 173.6 | 0 | 0 | 0 | 106.9 | I82 T86 | I82-I84 PolarHBondContact O-N 3.27Å; I82-I84 VanDerWaalsContact O-N 3.14Å; I84-T86 VanDerWaalsContact C-N 3.3Å; I84-T86 HydrophobicContact CG2-CG2 3.85Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.44Å; I84-T86 PolarHBondContact O-N 3.15Å | ||
| 85 | E | 45.6 | Very low | 46.1 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 85 | 152.2 | -66.8 | -170.9 | 167.2 | 0 | 0 | 106.9 | D83 A87 | D83-E85 PolarHBondContact O-N 2.91Å; E85-A87 PolarHBondContact O-N 3.38Å | ||
| 86 | T | 44.3 | Very low | 46.6 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -82.2 | 107.1 | 163.5 | 13.1 | 0 | 0 | 0 | 0 | 107 | I84 D88 | I84-T86 VanDerWaalsContact C-N 3.3Å; I84-T86 HydrophobicContact CG2-CG2 3.85Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.44Å; I84-T86 PolarHBondContact O-N 3.15Å; T86-D88 PolarHBondContact O-N 3.37Å | ||
| 87 | A | 50.6 | Low | 47.7 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -53.5 | 133.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | E85 D89 | E85-A87 PolarHBondContact O-N 3.38Å; A87-D89 PolarHBondContact O-N 2.83Å | ||
| 88 | D | 46 | Very low | 48.9 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -48.1 | 102.8 | 170 | -57.4 | -74.4 | 0 | 0 | 0 | 110.2 | T86 | T86-D88 PolarHBondContact O-N 3.37Š| ||
| 89 | D | 51.1 | Low | 50.2 | Low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -106.1 | 109.5 | 165.5 | -149.2 | 2.1 | 0 | 0 | 0 | 106.5 | A87 E91 | A87-D89 PolarHBondContact O-N 2.83Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.26Å | ||
| 90 | D | 51 | Low | 51.8 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -61 | 82.2 | -179.3 | -76.2 | -65.2 | 0 | 0 | 0 | 110.7 | K92 | D90-K92 VanDerWaalsContact C-N 3.29Å; D90-K92 PolarHBondContact O-N 3.21Å | ||
| 91 | E | 49.6 | Very low | 53.5 | Low | 187 Ų | 187 | 127 Ų | 127 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -68.6 | 88.6 | 166.1 | -75.2 | -165.7 | 155.1 | 0 | 0 | 109.5 | D89 | D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.26Å | ||
| 92 | K | 44 | Very low | 55.4 | Low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.6 | 165.5 | -170.6 | 176.6 | -174.9 | -177.5 | 0 | 108.3 | D90 | D90-K92 VanDerWaalsContact C-N 3.29Å; D90-K92 PolarHBondContact O-N 3.21Å |
| 93 | P | 43.7 | Very low | 57.1 | Low | 102 Ų | 102 | 126.1 Ų | 126.1 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144.7 | 178.3 | 24.1 | -32.8 | 0 | 0 | 0 | 109.7 | S95 | P93-S95 PolarHBondContact O-N 3.2Š|
| 94 | P | 46.1 | Very low | 59.3 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.5 | 173.1 | 24.1 | -32.1 | 0 | 0 | 0 | 108.2 | ||
| 95 | S | 46.6 | Very low | 61.3 | Low | 80 Ų | 80 | 119.7 Ų | 119.7 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 135.8 | 178.9 | 21.5 | 0 | 0 | 0 | 0 | 110.1 | P93 I97 | P93-S95 PolarHBondContact O-N 3.2Å; S95-I97 PolarHBondContact O-N 3.44Å |
| 96 | P | 53.9 | Low | 63.4 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -62.6 | 104.6 | -179.7 | 24.7 | -31 | 0 | 0 | 0 | 108.1 | D98 | P96-D98 PolarHBondContact O-N 2.81Š| ||
| 97 | I | 61 | Low | 65.7 | Low | 69 Ų | 69 | 113.6 Ų | 113.6 | 35% | 0.354 | 61% | 0.606 | S | S | . | * | trans | -57.1 | 121.9 | 162.2 | -62.6 | 169.9 | 0 | 0 | 0 | 105 | S95 D99 D101 Y105 | S95-I97 PolarHBondContact O-N 3.44Å; I97-D99 PolarHBondContact O-N 2.85Å; I97-D101 HydrophobicContact CG2-CB 3.58Å; I97-Y105 HydrophobicContact CD1-CE2 4.46Å; I97-Y105 HydrophobicContact CG2-CE2 4.29Å | ||
| 98 | D | 69.7 | Low | 67.6 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | trans | -50.5 | 139.5 | 177.7 | -164.7 | -5 | 0 | 0 | 0 | 109.1 | P96 E100 D101 R102 | P96-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 3.04Å; D98-E100 VanDerWaalsContact O-N 3.09Å; D98-D101 PolarHBondContact O-N 2.77Å; D98-R102 PolarHBondContact O-N 3.15Å; D98-R102 VanDerWaalsContact O-N 3.16Å | ||
| 99 | D | 73.1 | Confident | 69.8 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -28.2 | -176 | -73.4 | -42.2 | 0 | 0 | 0 | 110.7 | I97 R102 E103 | I97-D99 PolarHBondContact O-N 2.85Å; D99-R102 PolarHBondContact O-N 3.11Å; D99-R102 IonicContact OD1-CZ 3.57Å; D99-R102 VanDerWaalsContact OD1-CZ 3.3Å; D99-R102 IonicContact OD1-NH1 3.91Å; D99-R102 PolarHBondContact OD1-NH1 2.78Å; D99-R102 IonicContact OD1-NH2 2.94Å; D99-R102 PolarHBondContact OD1-NH2 2.9Å; D99-E103 PolarHBondContact O-N 2.83Å |
| 100 | E | 76.2 | Confident | 71.6 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 171 | -65.4 | -169 | -177.4 | 0 | 0 | 113.6 | D98 R102 K104 | D98-E100 PolarHBondContact O-N 3.04Å; D98-E100 VanDerWaalsContact O-N 3.09Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.14Å; E100-K104 VanDerWaalsContact O-N 3.16Å; E100-K104 IonicContact OE2-NZ 2.83Å |
| 101 | D | 82.1 | Confident | 73.5 | Confident | 35 Ų | 35 | 97 Ų | 97 | 19% | 0.187 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -70.8 | -33.5 | 178.8 | -87 | -15.3 | 0 | 0 | 0 | 110.1 | I97 D98 K104 Y105 Y254 K258 | I97-D101 HydrophobicContact CG2-CB 3.58Å; D98-D101 PolarHBondContact O-N 2.77Å; D101-K104 PolarHBondContact O-N 2.94Å; D101-Y105 HydrophobicContact CB-CE1 4.14Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD1 3.16Å; D101-Y105 PolarHBondContact O-N 2.86Å; D101-Y254 PolarHBondContact OD1-OH 2.81Å; D101-Y254 VanDerWaalsContact OD1-OH 3.09Å; D101-K258 IonicContact OD1-NZ 3.74Å; D101-K258 PolarHBondContact OD1-NZ 2.82Å; D101-K258 IonicContact OD2-NZ 2.81Å; D101-K258 PolarHBondContact OD2-NZ 2.77Å |
| 102 | R | 83.9 | Confident | 75.4 | Confident | 140 Ų | 140 | 89.2 Ų | 89.2 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.2 | -167.4 | -178 | -57.7 | 130.4 | 17.1 | 112.5 | D98 D99 E100 Y105 S106 | D98-R102 PolarHBondContact O-N 3.15Å; D98-R102 VanDerWaalsContact O-N 3.16Å; D99-R102 PolarHBondContact O-N 3.11Å; D99-R102 IonicContact OD1-CZ 3.57Å; D99-R102 VanDerWaalsContact OD1-CZ 3.3Å; D99-R102 IonicContact OD1-NH1 3.91Å; D99-R102 PolarHBondContact OD1-NH1 2.78Å; D99-R102 IonicContact OD1-NH2 2.94Å; D99-R102 PolarHBondContact OD1-NH2 2.9Å; E100-R102 VanDerWaalsContact C-N 3.32Å; R102-Y105 PolarHBondContact O-N 3.16Å; R102-S106 PolarHBondContact O-N 3.27Å |
| 103 | E | 87.4 | Confident | 77.6 | Confident | 144 Ų | 144 | 80.9 Ų | 80.9 | 67% | 0.673 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 178.1 | -173 | 169.3 | -168.5 | 0 | 0 | 110.8 | D99 Y105 S106 H107 | D99-E103 PolarHBondContact O-N 2.83Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 2.75Å; E103-S106 PolarHBondContact O-N 3.46Å; E103-S106 PolarHBondContact O-OG 3.29Å; E103-H107 PolarHBondContact O-N 3.06Å |
| 104 | K | 89.2 | Confident | 79.7 | Confident | 97 Ų | 97 | 78 Ų | 78 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 173.4 | -72.1 | 169.6 | -170.7 | 159.5 | 0 | 111.6 | E100 D101 S106 H107 L108 | E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.14Å; E100-K104 VanDerWaalsContact O-N 3.16Å; E100-K104 IonicContact OE2-NZ 2.83Å; D101-K104 PolarHBondContact O-N 2.94Å; K104-S106 VanDerWaalsContact C-N 3.34Å; K104-S106 PolarHBondContact O-N 2.89Å; K104-H107 PolarHBondContact O-N 3.16Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.45Å |
| 105 | Y | 91.3 | Very high | 81.6 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 11% | 0.106 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.8 | -70 | 7.2 | 0 | 0 | 0 | 111.3 | I97 D101 R102 E103 H107 L108 L109 V219 P221 Y254 | I97-Y105 HydrophobicContact CD1-CE2 4.46Å; I97-Y105 HydrophobicContact CG2-CE2 4.29Å; D101-Y105 HydrophobicContact CB-CE1 4.14Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD1 3.16Å; D101-Y105 PolarHBondContact O-N 2.86Å; R102-Y105 PolarHBondContact O-N 3.16Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 2.75Å; Y105-H107 VanDerWaalsContact C-N 3.33Å; Y105-H107 PolarHBondContact O-N 3.4Å; Y105-L108 PolarHBondContact O-N 3.31Å; Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 2.68Å; Y105-V219 PolarHBondContact OH-O 3.38Å; Y105-P221 HydrophobicContact CD1-CG 3.91Å; Y105-P221 HydrophobicContact CD2-CB 4.35Å; Y105-P221 HydrophobicContact CD2-CG 4.46Å; Y105-P221 HydrophobicContact CG-CB 4.13Å; Y105-P221 HydrophobicContact CG-CG 3.85Å; Y105-Y254 HydrophobicContact CD1-CE1 4.28Å; Y105-Y254 HydrophobicContact CE1-CD1 4.47Å; Y105-Y254 AromaticContact CE1-CE1 3.5Å; Y105-Y254 HydrophobicContact CE1-CE1 3.5Å; Y105-Y254 VanDerWaalsContact CE1-CE1 3.5Å; Y105-Y254 AromaticContact CE1-CZ 3.67Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.44Å |
| 106 | S | 90.9 | Very high | 83.7 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.2 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | R102 E103 K104 L109 S110 | R102-S106 PolarHBondContact O-N 3.27Å; E103-S106 PolarHBondContact O-N 3.46Å; E103-S106 PolarHBondContact O-OG 3.29Å; K104-S106 VanDerWaalsContact C-N 3.34Å; K104-S106 PolarHBondContact O-N 2.89Å; S106-L109 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.45Å; S106-S110 PolarHBondContact O-N 2.81Å |
| 107 | H | 91.9 | Very high | 85.5 | Confident | 114 Ų | 114 | 65.8 Ų | 65.8 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | 176.8 | 179.2 | -95.5 | 0 | 0 | 0 | 111.5 | E103 K104 Y105 L109 S110 L111 | E103-H107 PolarHBondContact O-N 3.06Å; K104-H107 PolarHBondContact O-N 3.16Å; Y105-H107 VanDerWaalsContact C-N 3.33Å; Y105-H107 PolarHBondContact O-N 3.4Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.25Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.09Å; H107-S110 PolarHBondContact O-OG 3.49Å; H107-L111 PolarHBondContact O-N 3.18Å |
| 108 | L | 91.5 | Very high | 87 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 179 | -68.3 | 170.9 | 0 | 0 | 0 | 112.3 | K104 Y105 S110 L111 P221 N248 A250 Y254 | K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.45Å; Y105-L108 PolarHBondContact O-N 3.31Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-P221 HydrophobicContact CB-CG 4.3Å; L108-P221 HydrophobicContact CD1-CG 4.15Å; L108-N248 PolarHBondContact O-ND2 3.48Å; L108-A250 HydrophobicContact CD2-CB 3.72Å; L108-Y254 HydrophobicContact CD1-CD1 4.06Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.54Å |
| 109 | L | 90.9 | Very high | 88.2 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75 | -18.8 | 176.1 | -70.7 | 173.2 | 0 | 0 | 0 | 113.7 | Y105 S106 H107 L111 P221 | Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 2.68Å; S106-L109 PolarHBondContact O-N 3.17Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.25Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-P221 HydrophobicContact CD1-CB 3.89Å; L109-P221 HydrophobicContact CD2-CB 4.08Å; L109-P221 HydrophobicContact CG-CB 3.88Å; L109-P221 HydrophobicContact CG-CG 4.41Å |
| 110 | S | 90.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77 | -18.6 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | S106 H107 L108 | S106-S110 WeakPolarHBondContact O-CB 3.45Å; S106-S110 PolarHBondContact O-N 2.81Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.09Å; H107-S110 PolarHBondContact O-OG 3.49Å; L108-S110 VanDerWaalsContact C-N 3.32Å |
| 111 | L | 91.3 | Very high | 89.9 | Confident | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -71.3 | 147.2 | 176.6 | -59.3 | 175.3 | 0 | 0 | 0 | 110.6 | H107 L108 L109 F143 Y247 N248 A250 | H107-L111 PolarHBondContact O-N 3.18Å; L108-L111 PolarHBondContact O-N 2.97Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L111-F143 HydrophobicContact CD2-CE1 3.78Å; L111-F143 HydrophobicContact CD2-CZ 3.5Å; L111-F143 VanDerWaalsContact CD2-CZ 3.5Å; L111-Y247 WeakPolarHBondContact O-CE1 3.13Å; L111-N248 PolarHBondContact O-ND2 3.18Å; L111-N248 VanDerWaalsContact O-ND2 3.17Å; L111-A250 HydrophobicContact CD1-CB 3.38Å |
| 112 | P | 89.6 | Confident | 90.2 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 150.9 | -177 | -25.5 | 33.1 | 0 | 0 | 0 | 113.6 | F143 F164 N248 | P112-F143 VanDerWaalsContact CD-CD1 3.49Å; P112-F143 HydrophobicContact CG-CB 3.59Å; P112-F143 HydrophobicContact CG-CD1 3.54Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE1 4.17Å; P112-F143 HydrophobicContact CG-CE2 4.32Å; P112-F143 HydrophobicContact CG-CG 3.31Å; P112-F164 VanDerWaalsContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CG-O 3.28Å; P112-N248 WeakPolarHBondContact O-CB 3.21Å |
| 113 | P | 90 | Very high | 90.5 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 160.1 | 177.3 | 27.6 | -30.1 | 0 | 0 | 0 | 112.1 | S116 K167 Y247 | P113-S116 WeakPolarHBondContact CD-OG 3.49Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.26Å; P113-S116 WeakPolarHBondContact O-CB 3.4Å; P113-S116 PolarHBondContact O-N 3.13Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.97Å; P113-K167 VanDerWaalsContact CB-CE 3.49Å; P113-K167 HydrophobicContact CG-CG 4Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 WeakPolarHBondContact CA-O 2.85Å; P113-Y247 HydrophobicContact CB-CD2 4.07Å; P113-Y247 HydrophobicContact CB-CE1 4.06Å; P113-Y247 HydrophobicContact CB-CE2 3.54Å; P113-Y247 WeakPolarHBondContact CD-OH 3.29Å; P113-Y247 HydrophobicContact CG-CE2 4.32Å |
| 114 | H | 86.7 | Confident | 90.5 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 140 | 173.9 | 69.7 | -88.8 | 0 | 0 | 0 | 110.9 | S116 K167 N196 E224 Y246 Y247 | H114-S116 VanDerWaalsContact C-N 3.29Å; H114-K167 PolarHBondContact CD2-NZ 2.97Å; H114-K167 PolarHBondContact CE1-NZ 3.29Å; H114-K167 PolarHBondContact ND1-NZ 2.75Å; H114-K167 PolarHBondContact NE2-NZ 2.83Å; H114-K167 WeakPolarHBondContact O-CD 3.31Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.43Å; H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 VanDerWaalsContact CB-ND2 3.26Å; H114-N196 WeakPolarHBondContact CB-ND2 3.14Å; H114-N196 PolarHBondContact CD2-ND2 2.84Å; H114-N196 PolarHBondContact ND1-ND2 2.75Å; H114-E224 IonicContact CE1-OE1 3.54Å; H114-E224 IonicContact CE1-OE2 2.85Å; H114-E224 PolarHBondContact CE1-OE2 3.24Å; H114-E224 IonicContact ND1-OE1 3.59Å; H114-E224 IonicContact ND1-OE2 2.78Å; H114-Y246 PolarHBondContact ND1-O 3.31Å; H114-Y247 PolarHBondContact N-O 3.34Å; H114-Y247 PolarHBondContact ND1-O 2.85Å |
| 115 | G | 86.5 | Confident | 90.3 | Very high | 21 Ų | 21 | 41 Ų | 41 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 7.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 116 | S | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -90.2 | -0.1 | 165.8 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | P113 H114 F164 K167 A170 | P113-S116 WeakPolarHBondContact CD-OG 3.49Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.26Å; P113-S116 WeakPolarHBondContact O-CB 3.4Å; P113-S116 PolarHBondContact O-N 3.13Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.97Å; H114-S116 VanDerWaalsContact C-N 3.29Å; S116-F164 VanDerWaalsContact CB-O 3.28Å; S116-F164 WeakPolarHBondContact CB-O 3.46Å; S116-F164 PolarHBondContact O-N 3.33Å; S116-K167 WeakPolarHBondContact OG-CA 3.28Å; S116-K167 WeakPolarHBondContact OG-CG 3.5Å; S116-K167 PolarHBondContact OG-N 2.8Å; S116-A170 WeakPolarHBondContact O-CB 3.33Å | ||
| 117 | E | 91.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135 | 177.9 | -170.2 | -172.6 | 121 | 0 | 0 | 110.8 | F161 V162 A163 S192 T194 | E117-F161 HydrophobicContact CG-CB 4.25Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.49Å; E117-V162 CarbonylContact C-O 3.56Å; E117-V162 WeakPolarHBondContact CA-O 3.47Å; E117-A163 HydrophobicContact CB-CB 4.45Å; E117-A163 HydrophobicContact CG-CB 4.37Å; E117-S192 VanDerWaalsContact O-CB 3.26Å; E117-S192 WeakPolarHBondContact O-CB 3.32Å; E117-S192 PolarHBondContact O-N 3.16Å; E117-S192 VanDerWaalsContact OE1-CB 3.29Å; E117-S192 WeakPolarHBondContact OE1-CB 3.34Å; E117-S192 PolarHBondContact OE1-OG 2.85Å; E117-T194 HydrophobicContact CB-CG2 4.39Å |
| 118 | V | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.9 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | I120 F161 V162 F164 A170 I174 S190 | V118-I120 HydrophobicContact CG2-CD1 4.31Å; V118-I120 HydrophobicContact CG2-CG1 4.08Å; V118-F161 CarbonylContact O-C 3.46Å; V118-F161 WeakPolarHBondContact O-CA 3.26Å; V118-V162 HydrophobicContact CG2-CB 3.81Å; V118-V162 PolarHBondContact N-O 3.49Å; V118-V162 PolarHBondContact O-N 2.71Å; V118-F164 HydrophobicContact CG1-CD2 4.23Å; V118-F164 HydrophobicContact CG1-CE2 4Å; V118-F164 HydrophobicContact CG2-CD2 4.33Å; V118-F164 HydrophobicContact CG2-CE2 3.64Å; V118-A170 HydrophobicContact CG1-CB 3.77Å; V118-A170 WeakPolarHBondContact CG1-O 3.29Å; V118-I174 HydrophobicContact CG1-CD1 4.09Å; V118-I174 HydrophobicContact CG1-CG1 3.89Å; V118-S190 CarbonylContact C-O 3.6Å; V118-S190 WeakPolarHBondContact CA-O 3.33Å |
| 119 | F | 93.4 | Very high | 89.7 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.4 | 166.8 | 170.5 | -90.7 | 0 | 0 | 0 | 108.9 | Y159 F161 C189 S190 | F119-Y159 HydrophobicContact CD2-CD2 4.04Å; F119-Y159 AromaticContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CE2 4.16Å; F119-Y159 AromaticContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CZ-CD2 4.26Å; F119-Y159 HydrophobicContact CZ-CG 4.13Å; F119-F161 HydrophobicContact CB-CD1 4.29Å; F119-F161 HydrophobicContact CB-CE1 4.18Å; F119-F161 HydrophobicContact CD2-CD1 4.27Å; F119-F161 AromaticContact CD2-CE1 3.68Å; F119-F161 HydrophobicContact CD2-CE1 3.68Å; F119-F161 AromaticContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CG-CE1 4.43Å; F119-C189 CarbonylContact O-C 3.59Å; F119-C189 WeakPolarHBondContact O-CA 3.35Å; F119-S190 PolarHBondContact N-O 2.62Å; F119-S190 PolarHBondContact O-N 3.36Å |
| 120 | I | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 105.4 | 174.4 | -53 | -179.9 | 0 | 0 | 0 | 107.8 | V118 L123 Y159 A160 V162 L177 I187 R188 | V118-I120 HydrophobicContact CG2-CD1 4.31Å; V118-I120 HydrophobicContact CG2-CG1 4.08Å; I120-L123 HydrophobicContact CG2-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD2 3.78Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; I120-Y159 CarbonylContact O-C 3.58Å; I120-Y159 WeakPolarHBondContact O-CA 3.12Å; I120-Y159 WeakPolarHBondContact O-CB 2.96Å; I120-A160 PolarHBondContact N-O 3.04Å; I120-A160 PolarHBondContact O-N 3.03Å; I120-V162 HydrophobicContact CD1-CB 4.49Å; I120-V162 HydrophobicContact CD1-CG2 3.71Å; I120-V162 HydrophobicContact CG1-CG2 4.46Å; I120-L177 HydrophobicContact CD1-CD1 4.36Å; I120-I187 HydrophobicContact CG2-CB 4.27Å; I120-I187 HydrophobicContact CG2-CD1 4.2Å; I120-R188 CarbonylContact C-O 3.58Å; I120-R188 WeakPolarHBondContact CA-O 3.42Å |
| 121 | G | 92.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 171.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 I187 R188 | G121-L123 VanDerWaalsContact C-N 3.31Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; G121-R188 PolarHBondContact N-O 2.83Å; G121-R188 PolarHBondContact O-N 2.87Å |
| 122 | G | 89 | Confident | 89.8 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 79.8 | 12.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G158 | G122-G158 PolarHBondContact N-O 3.28Å; G122-G158 VanDerWaalsContact N-O 3.11Å |
| 123 | L | 90.8 | Very high | 90 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -69.3 | 136.6 | -178.2 | -61.2 | 174.5 | 0 | 0 | 0 | 110.9 | I120 G121 V127 L132 L147 G158 A160 F182 I187 | I120-L123 HydrophobicContact CG2-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD2 3.78Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; G121-L123 VanDerWaalsContact C-N 3.31Å; L123-V127 HydrophobicContact CD2-CG1 4.48Å; L123-L132 HydrophobicContact CD1-CD1 3.86Å; L123-L132 HydrophobicContact CD1-CD2 3.81Å; L123-L132 HydrophobicContact CD1-CG 4.4Å; L123-L132 HydrophobicContact CD2-CD2 3.66Å; L123-L132 HydrophobicContact CG-CD2 4.4Å; L123-L147 HydrophobicContact CD1-CD1 4.22Å; L123-G158 WeakPolarHBondContact CB-O 3.38Å; L123-G158 PolarHBondContact N-O 3.16Å; L123-G158 WeakPolarHBondContact O-CA 3.32Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L123-F182 HydrophobicContact CD2-CD1 4.42Å; L123-I187 HydrophobicContact CD2-CG2 3.75Å | ||
| 124 | P | 86.3 | Confident | 90 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 157.6 | 170.8 | 28.1 | -27.8 | 0 | 0 | 0 | 110.9 | D126 V127 K183 K185 | P124-D126 WeakPolarHBondContact CB-OD1 3.46Å; P124-D126 WeakPolarHBondContact CG-OD1 3.48Å; P124-D126 PolarHBondContact O-N 2.95Å; P124-V127 HydrophobicContact CG-CG2 3.71Å; P124-V127 PolarHBondContact O-N 2.89Å; P124-K183 HydrophobicContact CG-CB 3.81Å; P124-K185 HydrophobicContact CB-CD 3.76Å; P124-K185 HydrophobicContact CB-CG 4.21Å; P124-K185 HydrophobicContact CG-CD 4.38Å; P124-K185 HydrophobicContact CG-CG 4.49Å | ||
| 125 | R | 84.8 | Confident | 90.2 | Very high | 175 Ų | 175 | 48.3 Ų | 48.3 | 66% | 0.66 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.4 | -170.1 | -65.4 | -173.3 | -176 | -162.7 | 3.6 | 113.6 | V127 D155 | R125-V127 VanDerWaalsContact C-N 3.33Å; R125-D155 IonicContact CZ-OD2 3.75Å; R125-D155 IonicContact NH1-OD2 3.27Å; R125-D155 PolarHBondContact NH1-OD2 3.18Å |
| 126 | D | 85.9 | Confident | 90.4 | Very high | 106 Ų | 106 | 47.3 Ų | 47.3 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.3 | 178.9 | 65.6 | -39.4 | 0 | 0 | 0 | 113.4 | P124 | P124-D126 WeakPolarHBondContact CB-OD1 3.46Å; P124-D126 WeakPolarHBondContact CG-OD1 3.48Å; P124-D126 PolarHBondContact O-N 2.95Å |
| 127 | V | 87.5 | Confident | 90.5 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | trans | -77.1 | 125.8 | 176.5 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | L123 P124 R125 D131 L132 L147 F182 K183 | L123-V127 HydrophobicContact CD2-CG1 4.48Å; P124-V127 HydrophobicContact CG-CG2 3.71Å; P124-V127 PolarHBondContact O-N 2.89Å; R125-V127 VanDerWaalsContact C-N 3.33Å; V127-D131 HydrophobicContact CG1-CB 4.13Å; V127-L132 HydrophobicContact CG1-CD1 4.22Å; V127-L132 HydrophobicContact CG1-CD2 3.89Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.42Å; V127-F182 HydrophobicContact CG1-CE1 4.13Å; V127-F182 HydrophobicContact CG2-CD1 4.05Å; V127-F182 HydrophobicContact CG2-CE1 3.58Å; V127-K183 HydrophobicContact CG2-CD 3.73Å; V127-K183 HydrophobicContact CG2-CG 4.46Å | ||
| 128 | G | 88.5 | Confident | 90.4 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | trans | -93.8 | 174.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | E130 D131 L132 | G128-E130 VanDerWaalsContact C-N 3.29Å; G128-E130 PolarHBondContact O-N 3.35Å; G128-D131 PolarHBondContact N-OD2 2.86Å; G128-D131 PolarHBondContact O-N 3.17Å; G128-L132 PolarHBondContact O-N 2.8Å | ||
| 129 | E | 91.4 | Very high | 90.3 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 174 | -165.3 | -174 | 140 | 0 | 0 | 111.9 | L132 R133 V145 | E129-L132 PolarHBondContact O-N 3.09Å; E129-R133 WeakPolarHBondContact O-CB 3.29Å; E129-R133 PolarHBondContact O-N 2.84Å; E129-V145 HydrophobicContact CG-CB 3.6Å; E129-V145 HydrophobicContact CG-CG1 3.42Å; E129-V145 VanDerWaalsContact CG-CG1 3.42Å |
| 130 | E | 91.6 | Very high | 90.1 | Very high | 160 Ų | 160 | 56.5 Ų | 56.5 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 177.8 | -63.1 | 177 | 176.4 | 0 | 0 | 111.7 | G128 L132 R133 D134 | G128-E130 VanDerWaalsContact C-N 3.29Å; G128-E130 PolarHBondContact O-N 3.35Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.47Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 2.83Å; E130-D134 PolarHBondContact O-N 3.5Å |
| 131 | D | 91.6 | Very high | 90.1 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 177.9 | -64.7 | -66.9 | 0 | 0 | 0 | 112.3 | V127 G128 L135 F182 K183 | V127-D131 HydrophobicContact CG1-CB 4.13Å; G128-D131 PolarHBondContact N-OD2 2.86Å; G128-D131 PolarHBondContact O-N 3.17Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.47Å; D131-L135 VanDerWaalsContact O-N 3.15Å; D131-F182 HydrophobicContact CB-CE1 4.44Å; D131-F182 HydrophobicContact CB-CZ 4.07Å; D131-K183 WeakPolarHBondContact OD1-CE 3.47Å; D131-K183 IonicContact OD1-NZ 2.74Å; D131-K183 PolarHBondContact OD1-NZ 3.24Å; D131-K183 IonicContact OD2-NZ 3.56Å; D131-K183 PolarHBondContact OD2-NZ 3.21Å |
| 132 | L | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.9 | -38.6 | 177.7 | -67.9 | 173.9 | 0 | 0 | 0 | 111.5 | L123 V127 G128 E129 E130 L135 C136 V145 L147 A160 | L123-L132 HydrophobicContact CD1-CD1 3.86Å; L123-L132 HydrophobicContact CD1-CD2 3.81Å; L123-L132 HydrophobicContact CD1-CG 4.4Å; L123-L132 HydrophobicContact CD2-CD2 3.66Å; L123-L132 HydrophobicContact CG-CD2 4.4Å; V127-L132 HydrophobicContact CG1-CD1 4.22Å; V127-L132 HydrophobicContact CG1-CD2 3.89Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; G128-L132 PolarHBondContact O-N 2.8Å; E129-L132 PolarHBondContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.47Å; L132-L135 PolarHBondContact O-N 3.28Å; L132-C136 WeakPolarHBondContact O-CB 3.29Å; L132-C136 PolarHBondContact O-N 2.9Å; L132-C136 PolarHBondContact O-SG 2.82Å; L132-V145 HydrophobicContact CB-CG1 4.05Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L132-L147 HydrophobicContact CD1-CD1 4.13Å; L132-A160 HydrophobicContact CD1-CB 3.34Å |
| 133 | R | 93.2 | Very high | 90.2 | Very high | 97 Ų | 97 | 65.8 Ų | 65.8 | 37% | 0.366 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 173.9 | 176.2 | 176.5 | -84.8 | -87.5 | 0.5 | 110 | E129 E130 L135 C136 E137 I142 V145 | E129-R133 WeakPolarHBondContact O-CB 3.29Å; E129-R133 PolarHBondContact O-N 2.84Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 2.83Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 2.93Å; R133-C136 PolarHBondContact O-N 3.32Å; R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 PolarHBondContact O-N 3.34Å; R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4.08Å; R133-I142 VanDerWaalsContact O-CD1 3.29Å; R133-I142 WeakPolarHBondContact O-CD1 3.38Å; R133-V145 HydrophobicContact CB-CG2 4.33Å |
| 134 | D | 92 | Very high | 90.3 | Very high | 111 Ų | 111 | 70.6 Ų | 70.6 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 178.5 | -68.6 | -16.1 | 0 | 0 | 0 | 112 | E130 | E130-D134 PolarHBondContact O-N 3.5Å |
| 135 | L | 90.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.4 | 179.4 | 65.5 | 0 | 0 | 0 | 112.8 | D131 L132 R133 L177 K180 F182 I187 | D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.47Å; D131-L135 VanDerWaalsContact O-N 3.15Å; L132-L135 PolarHBondContact O-N 3.28Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 2.93Å; L135-L177 HydrophobicContact CD1-CD2 3.79Å; L135-L177 HydrophobicContact CD2-CD2 4.09Å; L135-L177 HydrophobicContact CG-CD1 4.45Å; L135-L177 HydrophobicContact CG-CD2 3.81Å; L135-K180 HydrophobicContact CD1-CD 4.39Å; L135-F182 HydrophobicContact CB-CE2 4.24Å; L135-F182 HydrophobicContact CB-CZ 4.46Å; L135-F182 HydrophobicContact CD1-CD2 4.23Å; L135-F182 HydrophobicContact CD1-CE2 4.22Å; L135-F182 HydrophobicContact CD2-CD2 3.91Å; L135-F182 HydrophobicContact CD2-CE2 3.96Å; L135-F182 HydrophobicContact CD2-CG 4.19Å; L135-F182 HydrophobicContact CD2-CZ 4.26Å; L135-F182 HydrophobicContact CG-CE2 4.37Å; L135-I187 HydrophobicContact CD2-CD1 3.84Å |
| 136 | C | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -83.9 | -24.7 | -176.4 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | L132 R133 E138 I139 G140 I142 V162 F164 | L132-C136 WeakPolarHBondContact O-CB 3.29Å; L132-C136 PolarHBondContact O-N 2.9Å; L132-C136 PolarHBondContact O-SG 2.82Å; R133-C136 PolarHBondContact O-N 3.32Å; C136-E138 VanDerWaalsContact C-N 3.25Å; C136-E138 PolarHBondContact O-N 3.33Å; C136-I139 WeakPolarHBondContact O-CB 3.29Å; C136-I139 PolarHBondContact O-N 3.49Å; C136-G140 PolarHBondContact O-N 3.02Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; C136-F164 HydrophobicContact CB-CE1 4.03Å; C136-F164 HydrophobicContact CB-CZ 3.83Å |
| 137 | E | 92 | Very high | 91.2 | Very high | 116 Ų | 116 | 63.4 Ų | 63.4 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.9 | -25.6 | 179.7 | -174.3 | 166.2 | -174.7 | 0 | 0 | 111.7 | R133 I139 I142 | R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 PolarHBondContact O-N 3.34Å; E137-I139 PolarHBondContact O-N 3.5Å; E137-I142 HydrophobicContact CB-CD1 4.18Å |
| 138 | E | 90.1 | Very high | 91.4 | Very high | 149 Ų | 149 | 65 Ų | 65 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.5 | 170 | -171.4 | 174.6 | -165.2 | 0 | 0 | 112.5 | C136 | C136-E138 VanDerWaalsContact C-N 3.25Å; C136-E138 PolarHBondContact O-N 3.33Å |
| 139 | I | 90.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -41.6 | -174 | -48.8 | -175.5 | 0 | 0 | 0 | 110.9 | C136 E137 K172 A173 E176 L177 | C136-I139 WeakPolarHBondContact O-CB 3.29Å; C136-I139 PolarHBondContact O-N 3.49Å; E137-I139 PolarHBondContact O-N 3.5Å; I139-K172 HydrophobicContact CG2-CB 4.24Å; I139-K172 HydrophobicContact CG2-CD 4Å; I139-K172 HydrophobicContact CG2-CG 3.97Å; I139-A173 HydrophobicContact CD1-CB 3.85Å; I139-A173 HydrophobicContact CG2-CB 4.03Å; I139-E176 HydrophobicContact CD1-CB 4.36Å; I139-L177 HydrophobicContact CD1-CD1 3.51Å; I139-L177 HydrophobicContact CD1-CD2 3.76Å; I139-L177 HydrophobicContact CD1-CG 3.37Å |
| 140 | G | 90.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 174.4 | -174.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C136 I142 | C136-G140 PolarHBondContact O-N 3.02Å; G140-I142 PolarHBondContact O-N 3.42Å |
| 141 | E | 92 | Very high | 90.6 | Very high | 124 Ų | 124 | 70.6 Ų | 70.6 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | trans | -66.1 | 117.7 | -175.1 | -66.4 | -178.4 | -175.2 | 0 | 0 | 112.5 | K165 | E141-K165 HydrophobicContact CB-CB 4.41Å; E141-K165 HydrophobicContact CB-CD 4.43Å; E141-K165 PolarHBondContact O-N 3.02Å; E141-K165 VanDerWaalsContact O-N 3.13Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 IonicContact OE2-NZ 2.87Å; E141-K165 PolarHBondContact OE2-NZ 3.08Å | ||
| 142 | I | 93.2 | Very high | 90.2 | Very high | 25 Ų | 25 | 74.6 Ų | 74.6 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.9 | 176.5 | -56.5 | 166.8 | 0 | 0 | 0 | 109.9 | R133 C136 E137 G140 V145 V162 F164 | R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4.08Å; R133-I142 VanDerWaalsContact O-CD1 3.29Å; R133-I142 WeakPolarHBondContact O-CD1 3.38Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; E137-I142 HydrophobicContact CB-CD1 4.18Å; G140-I142 PolarHBondContact O-N 3.42Å; I142-V145 HydrophobicContact CD1-CG2 4.47Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; I142-V162 HydrophobicContact CG1-CG1 4.31Å; I142-V162 HydrophobicContact CG2-CG1 3.88Å; I142-F164 HydrophobicContact CG1-CD1 4.21Å; I142-F164 HydrophobicContact CG1-CE1 3.94Å |
| 143 | F | 91.4 | Very high | 89.8 | Confident | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -50.7 | 171.4 | -174.3 | -94.6 | 0 | 0 | 0 | 111.4 | L111 P112 A163 | L111-F143 HydrophobicContact CD2-CE1 3.78Å; L111-F143 HydrophobicContact CD2-CZ 3.5Å; L111-F143 VanDerWaalsContact CD2-CZ 3.5Å; P112-F143 VanDerWaalsContact CD-CD1 3.49Å; P112-F143 HydrophobicContact CG-CB 3.59Å; P112-F143 HydrophobicContact CG-CD1 3.54Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE1 4.17Å; P112-F143 HydrophobicContact CG-CE2 4.32Å; P112-F143 HydrophobicContact CG-CG 3.31Å; F143-A163 WeakPolarHBondContact CA-O 3.36Å; F143-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CB-O 3.49Å; F143-A163 PolarHBondContact N-O 3.43Å |
| 144 | E | 91.8 | Very high | 89.1 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.8 | -176.1 | -173.4 | 178.4 | 176.8 | 0 | 0 | 111.1 | V162 A163 | E144-V162 WeakPolarHBondContact O-CA 3.25Å; E144-A163 HydrophobicContact CB-CB 4.16Å; E144-A163 PolarHBondContact N-O 3.03Å; E144-A163 VanDerWaalsContact N-O 3.16Å; E144-A163 PolarHBondContact O-N 2.65Å |
| 145 | V | 92.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.1 | 171.7 | -176 | 0 | 0 | 0 | 0 | 107.9 | E129 L132 R133 I142 V162 | E129-V145 HydrophobicContact CG-CB 3.6Å; E129-V145 HydrophobicContact CG-CG1 3.42Å; E129-V145 VanDerWaalsContact CG-CG1 3.42Å; L132-V145 HydrophobicContact CB-CG1 4.05Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; R133-V145 HydrophobicContact CB-CG2 4.33Å; I142-V145 HydrophobicContact CD1-CG2 4.47Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; V145-V162 HydrophobicContact CG1-CG2 4.21Å; V145-V162 HydrophobicContact CG2-CG1 4.34Å |
| 146 | R | 91.6 | Very high | 88.2 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 99.6 | 178.7 | -169.5 | 177.2 | 77.4 | 165.3 | 2.1 | 110.4 | M148 A160 F161 | R146-M148 HydrophobicContact CG-SD 4.05Å; R146-M148 PolarHBondContact NE-SD 3.17Å; R146-M148 VanDerWaalsContact NE-SD 3.44Å; R146-A160 CarbonylContact O-C 3.47Å; R146-A160 VanDerWaalsContact O-CA 3.28Å; R146-A160 WeakPolarHBondContact O-CA 3.34Å; R146-F161 HydrophobicContact CB-CB 4.4Å; R146-F161 PolarHBondContact N-O 3.42Å; R146-F161 PolarHBondContact O-N 3.47Å |
| 147 | L | 91.9 | Very high | 88.1 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.5 | 173.5 | 179.9 | 62.9 | 0 | 0 | 0 | 110.1 | L123 V127 L132 K149 A160 | L123-L147 HydrophobicContact CD1-CD1 4.22Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.42Å; L132-L147 HydrophobicContact CD1-CD1 4.13Å; L147-K149 HydrophobicContact CG-CG 4.43Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-A160 HydrophobicContact CD1-CB 4.01Å |
| 148 | M | 91 | Very high | 87.9 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.2 | -177.9 | -60.6 | -64.1 | -95.9 | 0 | 0 | 109.4 | R146 K157 Y159 F161 | R146-M148 HydrophobicContact CG-SD 4.05Å; R146-M148 PolarHBondContact NE-SD 3.17Å; R146-M148 VanDerWaalsContact NE-SD 3.44Å; M148-K157 HydrophobicContact CB-CB 4.48Å; M148-K157 HydrophobicContact CB-CD 4.39Å; M148-K157 WeakPolarHBondContact O-CB 3.33Å; M148-K157 PolarHBondContact O-N 2.83Å; M148-Y159 HydrophobicContact CB-CD2 4.04Å; M148-Y159 HydrophobicContact CB-CE1 4.1Å; M148-Y159 HydrophobicContact CB-CE2 3.63Å; M148-Y159 HydrophobicContact CB-CG 4.49Å; M148-Y159 HydrophobicContact CE-CE2 4.48Å; M148-Y159 HydrophobicContact CG-CD2 3.85Å; M148-Y159 HydrophobicContact CG-CE2 3.37Å; M148-Y159 PolarHBondContact N-O 3.46Å; M148-Y159 VanDerWaalsContact N-O 3.15Å; M148-F161 HydrophobicContact CE-CE2 4.09Å; M148-F161 HydrophobicContact CG-CD2 3.9Å; M148-F161 HydrophobicContact CG-CE2 3.83Å; M148-F161 HydrophobicContact SD-CD2 4.24Å; M148-F161 HydrophobicContact SD-CE2 4.25Å |
| 149 | K | 89.9 | Confident | 88 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.9 | 178.6 | -63.1 | 179.4 | -178.8 | 178 | 0 | 109.9 | L147 D155 K157 | L147-K149 HydrophobicContact CG-CG 4.43Å; L147-K149 PolarHBondContact O-N 3.43Å; K149-D155 CarbonylContact C-O 3.51Å; K149-D155 VanDerWaalsContact CA-O 3.3Å; K149-D155 WeakPolarHBondContact CA-O 3.28Å; K149-K157 WeakPolarHBondContact O-CE 2.98Å |
| 150 | D | 85.3 | Confident | 88.2 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | trans | -67.7 | 131.5 | 172.8 | -172 | 10.8 | 0 | 0 | 0 | 109 | D152 G154 D155 K157 | D150-D152 PolarHBondContact O-N 3.13Å; D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 3.16Å; D150-D155 PolarHBondContact N-O 2.85Å; D150-K157 HydrophobicContact CB-CG 4.26Å | ||
| 151 | R | 81.2 | Confident | 88.3 | Confident | 219 Ų | 219 | 68.4 Ų | 68.4 | 83% | 0.826 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -35.4 | -176.2 | -175.4 | -178.5 | 66.5 | -164.5 | -4.5 | 110.9 | ||
| 152 | D | 82.1 | Confident | 88.4 | Confident | 133 Ų | 133 | 62.5 Ų | 62.5 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -42 | -171.4 | -59.9 | -34.4 | 0 | 0 | 0 | 111.6 | D150 | D150-D152 PolarHBondContact O-N 3.13Š|
| 153 | S | 82.3 | Confident | 88.4 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -22.9 | -180 | -166.2 | 0 | 0 | 0 | 0 | 113.9 | D155 | S153-D155 PolarHBondContact O-N 2.78Å; S153-D155 VanDerWaalsContact OG-CG 3.26Å; S153-D155 PolarHBondContact OG-OD1 3.03Å; S153-D155 PolarHBondContact OG-OD2 3.22Å |
| 154 | G | 79.7 | Confident | 88.5 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | trans | 70.1 | -3.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D150 | D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 3.16Å | ||
| 155 | D | 80 | Confident | 88.4 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | trans | -69.3 | 145.3 | 178 | -79.9 | 4.6 | 0 | 0 | 0 | 110.5 | R125 K149 D150 S153 K157 | R125-D155 IonicContact CZ-OD2 3.75Å; R125-D155 IonicContact NH1-OD2 3.27Å; R125-D155 PolarHBondContact NH1-OD2 3.18Å; K149-D155 CarbonylContact C-O 3.51Å; K149-D155 VanDerWaalsContact CA-O 3.3Å; K149-D155 WeakPolarHBondContact CA-O 3.28Å; D150-D155 PolarHBondContact N-O 2.85Å; S153-D155 PolarHBondContact O-N 2.78Å; S153-D155 VanDerWaalsContact OG-CG 3.26Å; S153-D155 PolarHBondContact OG-OD1 3.03Å; S153-D155 PolarHBondContact OG-OD2 3.22Å; D155-K157 PolarHBondContact O-N 2.98Å | ||
| 156 | S | 83.7 | Confident | 88.3 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 128.7 | 170.8 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | G158 | S156-G158 PolarHBondContact O-N 3.43Å |
| 157 | K | 87.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 59 Ų | 59 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -0.8 | 174.7 | -64.5 | -170.2 | 174.7 | -172.2 | 0 | 113 | M148 K149 D150 D155 Y159 | M148-K157 HydrophobicContact CB-CB 4.48Å; M148-K157 HydrophobicContact CB-CD 4.39Å; M148-K157 WeakPolarHBondContact O-CB 3.33Å; M148-K157 PolarHBondContact O-N 2.83Å; K149-K157 WeakPolarHBondContact O-CE 2.98Å; D150-K157 HydrophobicContact CB-CG 4.26Å; D155-K157 PolarHBondContact O-N 2.98Å; K157-Y159 HydrophobicContact CB-CD1 3.69Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CD-CE1 3.76Å; K157-Y159 HydrophobicContact CG-CE1 4.2Å |
| 158 | G | 88.5 | Confident | 88.2 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.8 | 15 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G122 L123 S156 | G122-G158 PolarHBondContact N-O 3.28Å; G122-G158 VanDerWaalsContact N-O 3.11Å; L123-G158 WeakPolarHBondContact CB-O 3.38Å; L123-G158 PolarHBondContact N-O 3.16Å; L123-G158 WeakPolarHBondContact O-CA 3.32Å; S156-G158 PolarHBondContact O-N 3.43Å |
| 159 | Y | 92.2 | Very high | 88.3 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.7 | 173.3 | 69.9 | -84.6 | 0 | 0 | 0 | 112.6 | F119 I120 M148 K157 F161 | F119-Y159 HydrophobicContact CD2-CD2 4.04Å; F119-Y159 AromaticContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CE2 4.16Å; F119-Y159 AromaticContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CZ-CD2 4.26Å; F119-Y159 HydrophobicContact CZ-CG 4.13Å; I120-Y159 CarbonylContact O-C 3.58Å; I120-Y159 WeakPolarHBondContact O-CA 3.12Å; I120-Y159 WeakPolarHBondContact O-CB 2.96Å; M148-Y159 HydrophobicContact CB-CD2 4.04Å; M148-Y159 HydrophobicContact CB-CE1 4.1Å; M148-Y159 HydrophobicContact CB-CE2 3.63Å; M148-Y159 HydrophobicContact CB-CG 4.49Å; M148-Y159 HydrophobicContact CE-CE2 4.48Å; M148-Y159 HydrophobicContact CG-CD2 3.85Å; M148-Y159 HydrophobicContact CG-CE2 3.37Å; M148-Y159 PolarHBondContact N-O 3.46Å; M148-Y159 VanDerWaalsContact N-O 3.15Å; K157-Y159 HydrophobicContact CB-CD1 3.69Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CD-CE1 3.76Å; K157-Y159 HydrophobicContact CG-CE1 4.2Å; Y159-F161 AromaticContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CZ 4.33Å; Y159-F161 AromaticContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CZ 4.06Å |
| 160 | A | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I120 L123 L132 R146 L147 | I120-A160 PolarHBondContact N-O 3.04Å; I120-A160 PolarHBondContact O-N 3.03Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L132-A160 HydrophobicContact CD1-CB 3.34Å; R146-A160 CarbonylContact O-C 3.47Å; R146-A160 VanDerWaalsContact O-CA 3.28Å; R146-A160 WeakPolarHBondContact O-CA 3.34Å; L147-A160 HydrophobicContact CD1-CB 4.01Å |
| 161 | F | 93.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.3 | 169.6 | -62.5 | -83.4 | 0 | 0 | 0 | 109.1 | E117 V118 F119 R146 M148 Y159 S192 | E117-F161 HydrophobicContact CG-CB 4.25Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.49Å; V118-F161 CarbonylContact O-C 3.46Å; V118-F161 WeakPolarHBondContact O-CA 3.26Å; F119-F161 HydrophobicContact CB-CD1 4.29Å; F119-F161 HydrophobicContact CB-CE1 4.18Å; F119-F161 HydrophobicContact CD2-CD1 4.27Å; F119-F161 AromaticContact CD2-CE1 3.68Å; F119-F161 HydrophobicContact CD2-CE1 3.68Å; F119-F161 AromaticContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CG-CE1 4.43Å; R146-F161 HydrophobicContact CB-CB 4.4Å; R146-F161 PolarHBondContact N-O 3.42Å; R146-F161 PolarHBondContact O-N 3.47Å; M148-F161 HydrophobicContact CE-CE2 4.09Å; M148-F161 HydrophobicContact CG-CD2 3.9Å; M148-F161 HydrophobicContact CG-CE2 3.83Å; M148-F161 HydrophobicContact SD-CD2 4.24Å; M148-F161 HydrophobicContact SD-CE2 4.25Å; Y159-F161 AromaticContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CZ 4.33Å; Y159-F161 AromaticContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CZ 4.06Å; F161-S192 VanDerWaalsContact CD1-OG 3.29Å; F161-S192 WeakPolarHBondContact CD1-OG 3.43Å; F161-S192 WeakPolarHBondContact CE1-OG 3.35Å |
| 162 | V | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.4 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | E117 V118 I120 C136 I142 E144 V145 F164 | E117-V162 CarbonylContact C-O 3.56Å; E117-V162 WeakPolarHBondContact CA-O 3.47Å; V118-V162 HydrophobicContact CG2-CB 3.81Å; V118-V162 PolarHBondContact N-O 3.49Å; V118-V162 PolarHBondContact O-N 2.71Å; I120-V162 HydrophobicContact CD1-CB 4.49Å; I120-V162 HydrophobicContact CD1-CG2 3.71Å; I120-V162 HydrophobicContact CG1-CG2 4.46Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; I142-V162 HydrophobicContact CG1-CG1 4.31Å; I142-V162 HydrophobicContact CG2-CG1 3.88Å; E144-V162 WeakPolarHBondContact O-CA 3.25Å; V145-V162 HydrophobicContact CG1-CG2 4.21Å; V145-V162 HydrophobicContact CG2-CG1 4.34Å; V162-F164 HydrophobicContact CG1-CD2 4.46Å; V162-F164 HydrophobicContact CG1-CE1 4.41Å; V162-F164 HydrophobicContact CG1-CE2 4.04Å; V162-F164 HydrophobicContact CG1-CZ 4.01Å |
| 163 | A | 92.7 | Very high | 89.6 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E117 F143 E144 | E117-A163 HydrophobicContact CB-CB 4.45Å; E117-A163 HydrophobicContact CG-CB 4.37Å; F143-A163 WeakPolarHBondContact CA-O 3.36Å; F143-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CB-O 3.49Å; F143-A163 PolarHBondContact N-O 3.43Å; E144-A163 HydrophobicContact CB-CB 4.16Å; E144-A163 PolarHBondContact N-O 3.03Å; E144-A163 VanDerWaalsContact N-O 3.16Å; E144-A163 PolarHBondContact O-N 2.65Å |
| 164 | F | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 163.9 | 169.2 | -67 | -80.4 | 0 | 0 | 0 | 110.7 | P112 S116 V118 C136 I142 V162 T166 V169 A170 A173 | P112-F164 VanDerWaalsContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CG-O 3.28Å; S116-F164 VanDerWaalsContact CB-O 3.28Å; S116-F164 WeakPolarHBondContact CB-O 3.46Å; S116-F164 PolarHBondContact O-N 3.33Å; V118-F164 HydrophobicContact CG1-CD2 4.23Å; V118-F164 HydrophobicContact CG1-CE2 4Å; V118-F164 HydrophobicContact CG2-CD2 4.33Å; V118-F164 HydrophobicContact CG2-CE2 3.64Å; C136-F164 HydrophobicContact CB-CE1 4.03Å; C136-F164 HydrophobicContact CB-CZ 3.83Å; I142-F164 HydrophobicContact CG1-CD1 4.21Å; I142-F164 HydrophobicContact CG1-CE1 3.94Å; V162-F164 HydrophobicContact CG1-CD2 4.46Å; V162-F164 HydrophobicContact CG1-CE1 4.41Å; V162-F164 HydrophobicContact CG1-CE2 4.04Å; V162-F164 HydrophobicContact CG1-CZ 4.01Å; F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 3.27Å; F164-V169 HydrophobicContact CB-CB 4.2Å; F164-V169 HydrophobicContact CB-CG1 4.07Å; F164-V169 HydrophobicContact CD1-CB 4.37Å; F164-V169 HydrophobicContact CD1-CG1 3.35Å; F164-V169 HydrophobicContact CE1-CG1 3.84Å; F164-V169 HydrophobicContact CG-CB 4.35Å; F164-V169 HydrophobicContact CG-CG1 3.75Å; F164-A170 HydrophobicContact CB-CB 4.41Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A173 HydrophobicContact CD2-CB 4.44Å; F164-A173 HydrophobicContact CE2-CB 3.47Å; F164-A173 VanDerWaalsContact CE2-CB 3.47Å; F164-A173 HydrophobicContact CZ-CB 3.51Å |
| 165 | K | 90.3 | Very high | 90.6 | Very high | 124 Ų | 124 | 49 Ų | 49 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -68.7 | -26.8 | 176.8 | -168.8 | 172 | 177.1 | 175.9 | 0 | 113.6 | E141 | E141-K165 HydrophobicContact CB-CB 4.41Å; E141-K165 HydrophobicContact CB-CD 4.43Å; E141-K165 PolarHBondContact O-N 3.02Å; E141-K165 VanDerWaalsContact O-N 3.13Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 IonicContact OE2-NZ 2.87Å; E141-K165 PolarHBondContact OE2-NZ 3.08Å |
| 166 | T | 90 | Very high | 91 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -137.3 | 153.5 | -176.9 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | F164 D168 V169 A170 | F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 3.27Å; T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.97Å; T166-V169 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.23Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.1Å; T166-V169 PolarHBondContact OG1-N 2.96Å; T166-A170 PolarHBondContact O-N 3.28Å |
| 167 | K | 90.5 | Very high | 91.3 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -34.1 | 178.4 | -53.5 | -173.4 | -166.4 | -160.7 | 0 | 111.9 | P113 H114 S116 A170 Q171 | P113-K167 VanDerWaalsContact CB-CE 3.49Å; P113-K167 HydrophobicContact CG-CG 4Å; H114-K167 PolarHBondContact CD2-NZ 2.97Å; H114-K167 PolarHBondContact CE1-NZ 3.29Å; H114-K167 PolarHBondContact ND1-NZ 2.75Å; H114-K167 PolarHBondContact NE2-NZ 2.83Å; H114-K167 WeakPolarHBondContact O-CD 3.31Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.43Å; S116-K167 WeakPolarHBondContact OG-CA 3.28Å; S116-K167 WeakPolarHBondContact OG-CG 3.5Å; S116-K167 PolarHBondContact OG-N 2.8Å; K167-A170 WeakPolarHBondContact O-CB 3.23Å; K167-A170 PolarHBondContact O-N 3.46Å; K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.04Å |
| 168 | D | 90.9 | Very high | 91.4 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 71% | 0.711 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.4 | -39.6 | -178.8 | -56.7 | -45.9 | 0 | 0 | 0 | 111.5 | T166 Q171 K172 | T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.97Å; D168-Q171 PolarHBondContact O-N 3.32Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 3.39Å |
| 169 | V | 92.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | F164 T166 Q171 K172 A173 | F164-V169 HydrophobicContact CB-CB 4.2Å; F164-V169 HydrophobicContact CB-CG1 4.07Å; F164-V169 HydrophobicContact CD1-CB 4.37Å; F164-V169 HydrophobicContact CD1-CG1 3.35Å; F164-V169 HydrophobicContact CE1-CG1 3.84Å; F164-V169 HydrophobicContact CG-CB 4.35Å; F164-V169 HydrophobicContact CG-CG1 3.75Å; T166-V169 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.23Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.1Å; T166-V169 PolarHBondContact OG1-N 2.96Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.2Å; V169-K172 PolarHBondContact O-N 3.43Å; V169-A173 WeakPolarHBondContact O-CB 3.47Å; V169-A173 PolarHBondContact O-N 2.82Å |
| 170 | A | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S116 V118 F164 T166 K167 A173 I174 | S116-A170 WeakPolarHBondContact O-CB 3.33Å; V118-A170 HydrophobicContact CG1-CB 3.77Å; V118-A170 WeakPolarHBondContact CG1-O 3.29Å; F164-A170 HydrophobicContact CB-CB 4.41Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; T166-A170 PolarHBondContact O-N 3.28Å; K167-A170 WeakPolarHBondContact O-CB 3.23Å; K167-A170 PolarHBondContact O-N 3.46Å; A170-A173 WeakPolarHBondContact O-CB 3.42Å; A170-A173 PolarHBondContact O-N 3.41Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.08Å; A170-I174 VanDerWaalsContact O-N 3.09Å |
| 171 | Q | 91 | Very high | 91 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.1 | -176.9 | 61.6 | 31.2 | 0 | 0 | 111.8 | K167 D168 V169 A173 I174 E175 | K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.04Å; D168-Q171 PolarHBondContact O-N 3.32Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.2Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 2.74Å; Q171-I174 WeakPolarHBondContact O-CB 3.23Å; Q171-I174 PolarHBondContact O-N 2.89Å; Q171-I174 VanDerWaalsContact O-N 3.16Å; Q171-E175 PolarHBondContact NE2-OE1 3.46Å; Q171-E175 VanDerWaalsContact NE2-OE1 3.12Å; Q171-E175 PolarHBondContact O-N 2.86Å; Q171-E175 VanDerWaalsContact O-N 3.11Å |
| 172 | K | 91.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.5 | -173 | -174.9 | 170.9 | -163 | 0 | 111.6 | I139 D168 V169 I174 E175 E176 | I139-K172 HydrophobicContact CG2-CB 4.24Å; I139-K172 HydrophobicContact CG2-CD 4Å; I139-K172 HydrophobicContact CG2-CG 3.97Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 3.39Å; V169-K172 PolarHBondContact O-N 3.43Å; K172-I174 VanDerWaalsContact C-N 3.26Å; K172-I174 PolarHBondContact O-N 3.44Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-E175 VanDerWaalsContact O-N 3.15Å; K172-E176 WeakPolarHBondContact CE-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 3.3Å; K172-E176 PolarHBondContact O-N 2.8Å |
| 173 | A | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I139 F164 V169 A170 Q171 L177 | I139-A173 HydrophobicContact CD1-CB 3.85Å; I139-A173 HydrophobicContact CG2-CB 4.03Å; F164-A173 HydrophobicContact CD2-CB 4.44Å; F164-A173 HydrophobicContact CE2-CB 3.47Å; F164-A173 VanDerWaalsContact CE2-CB 3.47Å; F164-A173 HydrophobicContact CZ-CB 3.51Å; V169-A173 WeakPolarHBondContact O-CB 3.47Å; V169-A173 PolarHBondContact O-N 2.82Å; A170-A173 WeakPolarHBondContact O-CB 3.42Å; A170-A173 PolarHBondContact O-N 3.41Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 2.74Å; A173-L177 HydrophobicContact CB-CD1 4.43Å; A173-L177 WeakPolarHBondContact O-CB 3.43Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.5Å; A173-L177 PolarHBondContact O-N 3.26Å |
| 174 | I | 91.7 | Very high | 89.9 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 172.6 | -65.5 | 162.5 | 0 | 0 | 0 | 110.1 | V118 A170 Q171 K172 E176 H178 L191 | V118-I174 HydrophobicContact CG1-CD1 4.09Å; V118-I174 HydrophobicContact CG1-CG1 3.89Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.08Å; A170-I174 VanDerWaalsContact O-N 3.09Å; Q171-I174 WeakPolarHBondContact O-CB 3.23Å; Q171-I174 PolarHBondContact O-N 2.89Å; Q171-I174 VanDerWaalsContact O-N 3.16Å; K172-I174 VanDerWaalsContact C-N 3.26Å; K172-I174 PolarHBondContact O-N 3.44Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 2.76Å; I174-H178 WeakPolarHBondContact O-CB 3.47Å; I174-H178 PolarHBondContact O-N 3.2Å; I174-L191 HydrophobicContact CD1-CB 4.14Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-N 3.3Å |
| 175 | E | 90.6 | Very high | 89.6 | Confident | 139 Ų | 139 | 74 Ų | 74 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.3 | -35.4 | -178.3 | -69.4 | 169.9 | -163.9 | 0 | 0 | 112.9 | Q171 K172 | Q171-E175 PolarHBondContact NE2-OE1 3.46Å; Q171-E175 VanDerWaalsContact NE2-OE1 3.12Å; Q171-E175 PolarHBondContact O-N 2.86Å; Q171-E175 VanDerWaalsContact O-N 3.11Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-E175 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 90.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -91.8 | -31.3 | -178 | -68.8 | -176.3 | -177.5 | 0 | 0 | 114.6 | I139 K172 I174 | I139-E176 HydrophobicContact CD1-CB 4.36Å; K172-E176 WeakPolarHBondContact CE-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 3.3Å; K172-E176 PolarHBondContact O-N 2.8Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 2.76Å |
| 177 | L | 90.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -96.8 | -18.2 | -177.8 | -59.8 | 177.5 | 0 | 0 | 0 | 113.7 | I120 L135 I139 A173 S179 K180 I187 C189 | I120-L177 HydrophobicContact CD1-CD1 4.36Å; L135-L177 HydrophobicContact CD1-CD2 3.79Å; L135-L177 HydrophobicContact CD2-CD2 4.09Å; L135-L177 HydrophobicContact CG-CD1 4.45Å; L135-L177 HydrophobicContact CG-CD2 3.81Å; I139-L177 HydrophobicContact CD1-CD1 3.51Å; I139-L177 HydrophobicContact CD1-CD2 3.76Å; I139-L177 HydrophobicContact CD1-CG 3.37Å; A173-L177 HydrophobicContact CB-CD1 4.43Å; A173-L177 WeakPolarHBondContact O-CB 3.43Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.5Å; A173-L177 PolarHBondContact O-N 3.26Å; L177-S179 PolarHBondContact O-N 2.79Å; L177-K180 HydrophobicContact CD2-CD 3.78Å; L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-K180 VanDerWaalsContact O-N 3.17Å; L177-I187 HydrophobicContact CB-CD1 4.09Å; L177-I187 WeakPolarHBondContact O-CG1 3.26Å; L177-C189 HydrophobicContact CB-CB 3.88Å |
| 178 | H | 88.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 125.6 | 178.4 | -170.7 | 84.7 | 0 | 0 | 0 | 110.3 | I174 K180 C189 | I174-H178 WeakPolarHBondContact O-CB 3.47Å; I174-H178 PolarHBondContact O-N 3.2Å; H178-K180 PolarHBondContact O-N 3.06Å; H178-C189 HydrophobicContact CB-CB 4.29Å; H178-C189 PolarHBondContact ND1-O 3.34Å |
| 179 | S | 87.6 | Confident | 89.9 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 58% | 0.58 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 18.5 | -176.9 | -52.5 | 0 | 0 | 0 | 0 | 115.1 | L177 I187 | L177-S179 PolarHBondContact O-N 2.79Å; S179-I187 WeakPolarHBondContact CA-O 3.15Å; S179-I187 PolarHBondContact N-O 2.92Å |
| 180 | K | 88.2 | Confident | 89.8 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 34% | 0.335 | 34% | 0.343 | S | S | . | . | trans | -74.7 | 142.7 | 173 | -169.2 | 173.6 | -178.8 | 178.5 | 0 | 110.4 | L135 L177 H178 T186 I187 | L135-K180 HydrophobicContact CD1-CD 4.39Å; L177-K180 HydrophobicContact CD2-CD 3.78Å; L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-K180 VanDerWaalsContact O-N 3.17Å; H178-K180 PolarHBondContact O-N 3.06Å; K180-T186 WeakPolarHBondContact O-CA 3.47Å; K180-I187 HydrophobicContact CB-CD1 4.37Å; K180-I187 HydrophobicContact CB-CG1 4.11Å; K180-I187 VanDerWaalsContact O-CG1 3.25Å; K180-I187 WeakPolarHBondContact O-CG1 3.32Å; K180-I187 PolarHBondContact O-N 2.97Å | ||
| 181 | E | 89.5 | Confident | 89.7 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.2 | 169.8 | -68.4 | -171.8 | 172.9 | 0 | 0 | 110.4 | K185 T186 | E181-K185 WeakPolarHBondContact CA-O 3.48Å; E181-T186 HydrophobicContact CG-CG2 4.12Å |
| 182 | F | 86.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.5 | 178.3 | -169.4 | -113.8 | 0 | 0 | 0 | 110.4 | L123 V127 D131 L135 G184 K185 I187 | L123-F182 HydrophobicContact CD2-CD1 4.42Å; V127-F182 HydrophobicContact CG1-CE1 4.13Å; V127-F182 HydrophobicContact CG2-CD1 4.05Å; V127-F182 HydrophobicContact CG2-CE1 3.58Å; D131-F182 HydrophobicContact CB-CE1 4.44Å; D131-F182 HydrophobicContact CB-CZ 4.07Å; L135-F182 HydrophobicContact CB-CE2 4.24Å; L135-F182 HydrophobicContact CB-CZ 4.46Å; L135-F182 HydrophobicContact CD1-CD2 4.23Å; L135-F182 HydrophobicContact CD1-CE2 4.22Å; L135-F182 HydrophobicContact CD2-CD2 3.91Å; L135-F182 HydrophobicContact CD2-CE2 3.96Å; L135-F182 HydrophobicContact CD2-CG 4.19Å; L135-F182 HydrophobicContact CD2-CZ 4.26Å; L135-F182 HydrophobicContact CG-CE2 4.37Å; F182-G184 PolarHBondContact O-N 2.79Å; F182-G184 VanDerWaalsContact O-N 3.14Å; F182-K185 PolarHBondContact N-O 3.26Å; F182-K185 PolarHBondContact O-N 3.42Å; F182-K185 VanDerWaalsContact O-O 3.08Å; F182-I187 HydrophobicContact CB-CD1 4.41Å; F182-I187 HydrophobicContact CB-CG1 4.34Å; F182-I187 HydrophobicContact CB-CG2 3.73Å; F182-I187 HydrophobicContact CD1-CG2 4.5Å |
| 183 | K | 84.9 | Confident | 89 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 40.7 | -176 | -62.7 | -166.2 | -176.7 | 179.5 | 0 | 113.8 | P124 V127 D131 | P124-K183 HydrophobicContact CG-CB 3.81Å; V127-K183 HydrophobicContact CG2-CD 3.73Å; V127-K183 HydrophobicContact CG2-CG 4.46Å; D131-K183 WeakPolarHBondContact OD1-CE 3.47Å; D131-K183 IonicContact OD1-NZ 2.74Å; D131-K183 PolarHBondContact OD1-NZ 3.24Å; D131-K183 IonicContact OD2-NZ 3.56Å; D131-K183 PolarHBondContact OD2-NZ 3.21Å |
| 184 | G | 85.1 | Confident | 88.5 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 79% | 0.794 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 11.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F182 | F182-G184 PolarHBondContact O-N 2.79Å; F182-G184 VanDerWaalsContact O-N 3.14Å |
| 185 | K | 87.9 | Confident | 88.3 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149 | 169.4 | -65.3 | -165.4 | -177.9 | -176.1 | 0 | 110.8 | P124 E181 F182 | P124-K185 HydrophobicContact CB-CD 3.76Å; P124-K185 HydrophobicContact CB-CG 4.21Å; P124-K185 HydrophobicContact CG-CD 4.38Å; P124-K185 HydrophobicContact CG-CG 4.49Å; E181-K185 WeakPolarHBondContact CA-O 3.48Å; F182-K185 PolarHBondContact N-O 3.26Å; F182-K185 PolarHBondContact O-N 3.42Å; F182-K185 VanDerWaalsContact O-O 3.08Å |
| 186 | T | 90.5 | Very high | 88.4 | Confident | 91 Ų | 91 | 73 Ų | 73 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.8 | 170.8 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | K180 E181 | K180-T186 WeakPolarHBondContact O-CA 3.47Å; E181-T186 HydrophobicContact CG-CG2 4.12Å |
| 187 | I | 92.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | -92.8 | 143.7 | 177.2 | 58.5 | 160.5 | 0 | 0 | 0 | 110.5 | I120 G121 L123 L135 L177 S179 K180 F182 | I120-I187 HydrophobicContact CG2-CB 4.27Å; I120-I187 HydrophobicContact CG2-CD1 4.2Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; L123-I187 HydrophobicContact CD2-CG2 3.75Å; L135-I187 HydrophobicContact CD2-CD1 3.84Å; L177-I187 HydrophobicContact CB-CD1 4.09Å; L177-I187 WeakPolarHBondContact O-CG1 3.26Å; S179-I187 WeakPolarHBondContact CA-O 3.15Å; S179-I187 PolarHBondContact N-O 2.92Å; K180-I187 HydrophobicContact CB-CD1 4.37Å; K180-I187 HydrophobicContact CB-CG1 4.11Å; K180-I187 VanDerWaalsContact O-CG1 3.25Å; K180-I187 WeakPolarHBondContact O-CG1 3.32Å; K180-I187 PolarHBondContact O-N 2.97Å; F182-I187 HydrophobicContact CB-CD1 4.41Å; F182-I187 HydrophobicContact CB-CG1 4.34Å; F182-I187 HydrophobicContact CB-CG2 3.73Å; F182-I187 HydrophobicContact CD1-CG2 4.5Å | ||
| 188 | R | 91 | Very high | 88.7 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 56% | 0.555 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.9 | 175.2 | -177.6 | 178.5 | 174.9 | 175.4 | -1.3 | 108.7 | I120 G121 | I120-R188 CarbonylContact C-O 3.58Å; I120-R188 WeakPolarHBondContact CA-O 3.42Å; G121-R188 PolarHBondContact N-O 2.83Å; G121-R188 PolarHBondContact O-N 2.87Å |
| 189 | C | 92.5 | Very high | 89 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.9 | 173 | -164 | 0 | 0 | 0 | 0 | 109.9 | F119 L177 H178 | F119-C189 CarbonylContact O-C 3.59Å; F119-C189 WeakPolarHBondContact O-CA 3.35Å; L177-C189 HydrophobicContact CB-CB 3.88Å; H178-C189 HydrophobicContact CB-CB 4.29Å; H178-C189 PolarHBondContact ND1-O 3.34Å |
| 190 | S | 91 | Very high | 89.4 | Confident | 36 Ų | 36 | 64 Ų | 64 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.3 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 111 | V118 F119 S192 | V118-S190 CarbonylContact C-O 3.6Å; V118-S190 WeakPolarHBondContact CA-O 3.33Å; F119-S190 PolarHBondContact N-O 2.62Å; F119-S190 PolarHBondContact O-N 3.36Å; S190-S192 PolarHBondContact O-N 3.09Å |
| 191 | L | 89.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.7 | 173.3 | -74.7 | 170.5 | 0 | 0 | 0 | 109.7 | I174 | I174-L191 HydrophobicContact CD1-CB 4.14Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-N 3.3Å |
| 192 | S | 86 | Confident | 89.8 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -73.3 | 134.8 | 174.7 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | E117 F161 S190 T194 | E117-S192 VanDerWaalsContact O-CB 3.26Å; E117-S192 WeakPolarHBondContact O-CB 3.32Å; E117-S192 PolarHBondContact O-N 3.16Å; E117-S192 VanDerWaalsContact OE1-CB 3.29Å; E117-S192 WeakPolarHBondContact OE1-CB 3.34Å; E117-S192 PolarHBondContact OE1-OG 2.85Å; F161-S192 VanDerWaalsContact CD1-OG 3.29Å; F161-S192 WeakPolarHBondContact CD1-OG 3.43Å; F161-S192 WeakPolarHBondContact CE1-OG 3.35Å; S190-S192 PolarHBondContact O-N 3.09Å; S192-T194 PolarHBondContact O-N 3.37Å; S192-T194 VanDerWaalsContact O-N 3.08Å | ||
| 193 | E | 81.1 | Confident | 90 | Very high | 164 Ų | 164 | 55.8 Ų | 55.8 | 77% | 0.766 | 29% | 0.289 | S | S | * | . | trans | -82.7 | 79.8 | 175.6 | -63.5 | -164.9 | 177.9 | 0 | 0 | 110.6 | ||||
| 194 | T | 82.2 | Confident | 90.3 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | trans | -86 | 135.5 | 176.5 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | E117 S192 N196 | E117-T194 HydrophobicContact CB-CG2 4.39Å; S192-T194 PolarHBondContact O-N 3.37Å; S192-T194 VanDerWaalsContact O-N 3.08Å; T194-N196 PolarHBondContact O-N 3.31Å; T194-N196 PolarHBondContact O-OD1 3.23Å | ||
| 195 | K | 88.4 | Confident | 90.5 | Very high | 128 Ų | 128 | 53.4 Ų | 53.4 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | trans | -75.6 | 108.6 | 175.7 | -60.3 | 176.9 | -178.2 | 169.6 | 0 | 110 | N249 W275 | K195-N249 WeakPolarHBondContact O-CB 3.11Å; K195-N249 PolarHBondContact O-ND2 2.99Å; K195-W275 HydrophobicContact CB-CD2 3.74Å; K195-W275 HydrophobicContact CB-CE3 3.5Å; K195-W275 HydrophobicContact CB-CG 4.34Å; K195-W275 HydrophobicContact CB-CH2 4.18Å; K195-W275 HydrophobicContact CB-CZ2 4.4Å; K195-W275 HydrophobicContact CB-CZ3 3.73Å; K195-W275 HydrophobicContact CD-CB 4.27Å; K195-W275 HydrophobicContact CD-CD2 3.97Å; K195-W275 HydrophobicContact CD-CG 3.78Å; K195-W275 HydrophobicContact CG-CD2 4.4Å; K195-W275 WeakPolarHBondContact O-CH2 3.31Å; K195-W275 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 196 | N | 91.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | trans | -131.1 | 5.3 | -178.4 | 66.7 | -38.9 | 0 | 0 | 0 | 113.2 | H114 T194 L245 Y246 | H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 VanDerWaalsContact CB-ND2 3.26Å; H114-N196 WeakPolarHBondContact CB-ND2 3.14Å; H114-N196 PolarHBondContact CD2-ND2 2.84Å; H114-N196 PolarHBondContact ND1-ND2 2.75Å; T194-N196 PolarHBondContact O-N 3.31Å; T194-N196 PolarHBondContact O-OD1 3.23Å; N196-L245 WeakPolarHBondContact ND2-CD1 3.42Å; N196-Y246 PolarHBondContact O-N 3.49Å | ||
| 197 | R | 93.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.4 | -179.5 | -167.1 | -178.8 | -175.2 | -143.4 | 1.2 | 109.8 | E227 F243 V244 L245 A276 | R197-E227 IonicContact NH2-OE2 3.5Å; R197-E227 PolarHBondContact NH2-OE2 3.17Å; R197-F243 HydrophobicContact CG-CB 4.49Å; R197-F243 VanDerWaalsContact NH2-CB 3.3Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; R197-V244 CarbonylContact C-O 3.54Å; R197-V244 VanDerWaalsContact CA-O 3.3Å; R197-V244 WeakPolarHBondContact CA-O 3.41Å; R197-L245 HydrophobicContact CB-CD1 4.19Å; R197-L245 HydrophobicContact CG-CD1 4.48Å; R197-A276 HydrophobicContact CB-CB 4.05Å; R197-A276 HydrophobicContact CG-CB 3.79Å; R197-A276 WeakPolarHBondContact O-CB 3.45Å; R197-A276 PolarHBondContact O-N 3.25Å |
| 198 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.7 | 175.9 | -59.3 | -175.8 | 0 | 0 | 0 | 110.8 | I200 F243 V244 Y246 A252 R256 M259 V273 T274 W275 | L198-I200 HydrophobicContact CB-CG1 4.37Å; L198-F243 CarbonylContact O-C 3.56Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.37Å; L198-V244 PolarHBondContact N-O 2.96Å; L198-V244 PolarHBondContact O-N 3.12Å; L198-Y246 HydrophobicContact CB-CE2 4.44Å; L198-Y246 HydrophobicContact CD1-CD2 4.36Å; L198-Y246 HydrophobicContact CD1-CE2 3.58Å; L198-Y246 HydrophobicContact CG-CD2 4.27Å; L198-Y246 HydrophobicContact CG-CE2 3.87Å; L198-A252 WeakPolarHBondContact CD1-O 3.37Å; L198-R256 HydrophobicContact CD1-CB 3.81Å; L198-R256 HydrophobicContact CD2-CB 3.86Å; L198-R256 HydrophobicContact CD2-CG 4.29Å; L198-M259 HydrophobicContact CD1-CE 4.26Å; L198-V273 HydrophobicContact CD1-CG1 4.1Å; L198-T274 WeakPolarHBondContact CA-O 3.18Å; L198-W275 HydrophobicContact CD2-CD2 4.1Å; L198-W275 HydrophobicContact CD2-CE3 3.47Å; L198-W275 VanDerWaalsContact CD2-CE3 3.47Å; L198-W275 HydrophobicContact CD2-CH2 4.24Å; L198-W275 HydrophobicContact CD2-CZ3 3.57Å |
| 199 | F | 95.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128 | 160.1 | 169.2 | -90.4 | 0 | 0 | 0 | 108 | F241 F243 V273 T274 A276 | F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.64Å; F199-F241 AromaticContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CD2 3.48Å; F199-F241 VanDerWaalsContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CE2 4.23Å; F199-F241 AromaticContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CZ-CB 3.74Å; F199-F241 HydrophobicContact CZ-CD2 4.38Å; F199-F241 HydrophobicContact CZ-CG 4.15Å; F199-F243 HydrophobicContact CB-CD1 4.27Å; F199-F243 HydrophobicContact CB-CE1 4.21Å; F199-F243 HydrophobicContact CD2-CD1 4.27Å; F199-F243 AromaticContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CZ 4.07Å; F199-F243 HydrophobicContact CG-CE1 4.47Å; F199-V273 WeakPolarHBondContact O-CA 2.96Å; F199-T274 PolarHBondContact N-O 3.44Å; F199-T274 PolarHBondContact O-N 3.46Å; F199-A276 HydrophobicContact CB-CB 4.26Å |
| 200 | I | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.2 | 177.1 | -58 | 173.9 | 0 | 0 | 0 | 107.7 | L198 I203 F212 I216 F241 A242 V244 M259 L266 P271 T272 V273 | L198-I200 HydrophobicContact CB-CG1 4.37Å; I200-I203 HydrophobicContact CB-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 4.2Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.38Å; I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.82Å; I200-F212 HydrophobicContact CG2-CE2 4.12Å; I200-F212 HydrophobicContact CG2-CZ 3.92Å; I200-I216 HydrophobicContact CD1-CD1 3.64Å; I200-I216 HydrophobicContact CD1-CG1 4.46Å; I200-F241 CarbonylContact O-C 3.16Å; I200-F241 WeakPolarHBondContact O-CA 3.2Å; I200-F241 WeakPolarHBondContact O-CB 3.3Å; I200-A242 PolarHBondContact N-O 2.92Å; I200-A242 PolarHBondContact O-N 3.17Å; I200-V244 HydrophobicContact CD1-CB 4.37Å; I200-V244 HydrophobicContact CD1-CG2 3.64Å; I200-M259 HydrophobicContact CD1-CE 3.9Å; I200-M259 HydrophobicContact CD1-SD 3.51Å; I200-M259 VanDerWaalsContact CD1-SD 3.51Å; I200-M259 HydrophobicContact CG1-SD 4.29Å; I200-L266 HydrophobicContact CG2-CD1 4.49Å; I200-P271 HydrophobicContact CG2-CB 4.14Å; I200-T272 CarbonylContact C-O 3.51Å; I200-T272 WeakPolarHBondContact CA-O 3.12Å; I200-V273 HydrophobicContact CG1-CG1 4.31Å; I200-V273 HydrophobicContact CG1-CG2 4.27Å; I200-V273 HydrophobicContact CG2-CG2 4.34Å |
| 201 | G | 93.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 173.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I203 G240 P271 T272 | G201-I203 VanDerWaalsContact C-N 3.26Å; G201-I203 PolarHBondContact O-N 3.32Å; G201-G240 CarbonylContact C-O 3.52Å; G201-P271 WeakPolarHBondContact O-CA 3.46Å; G201-T272 PolarHBondContact N-O 2.89Å; G201-T272 PolarHBondContact O-N 2.99Å |
| 202 | N | 92.5 | Very high | 90.5 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | trans | 62.8 | 30.9 | -178.2 | -153.2 | 33.2 | 0 | 0 | 0 | 113.8 | G240 A270 | N202-G240 PolarHBondContact N-O 3.45Å; N202-A270 PolarHBondContact ND2-O 3.32Å | ||
| 203 | I | 92.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -72.4 | 136.5 | 174.6 | -55.7 | 176 | 0 | 0 | 0 | 109 | I200 G201 K205 W207 F212 L228 G240 A242 L266 | I200-I203 HydrophobicContact CB-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 4.2Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.38Å; G201-I203 VanDerWaalsContact C-N 3.26Å; G201-I203 PolarHBondContact O-N 3.32Å; I203-K205 PolarHBondContact O-N 3.46Å; I203-W207 HydrophobicContact CG2-CB 4.36Å; I203-W207 HydrophobicContact CG2-CE3 4.08Å; I203-F212 HydrophobicContact CD1-CD1 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.99Å; I203-F212 HydrophobicContact CD1-CE1 4.02Å; I203-F212 HydrophobicContact CD1-CE2 3.47Å; I203-F212 VanDerWaalsContact CD1-CE2 3.47Å; I203-F212 HydrophobicContact CD1-CG 4.46Å; I203-F212 HydrophobicContact CD1-CZ 3.49Å; I203-F212 VanDerWaalsContact CD1-CZ 3.49Å; I203-F212 HydrophobicContact CG1-CD2 4.4Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.33Å; I203-F212 HydrophobicContact CG2-CD2 4.06Å; I203-F212 HydrophobicContact CG2-CE2 4.4Å; I203-L228 HydrophobicContact CD1-CD1 3.98Å; I203-L228 HydrophobicContact CG2-CD1 4.42Å; I203-G240 PolarHBondContact N-O 3.34Å; I203-G240 WeakPolarHBondContact O-CA 2.94Å; I203-A242 HydrophobicContact CD1-CB 3.45Å; I203-A242 VanDerWaalsContact CD1-CB 3.45Å; I203-L266 HydrophobicContact CG1-CD1 4.14Å | ||
| 204 | P | 90.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | trans | -56.2 | 129.1 | 174.9 | -24.8 | 34.5 | 0 | 0 | 0 | 111.9 | N206 W207 N238 L266 E267 | P204-N206 WeakPolarHBondContact CB-OD1 3.3Å; P204-N206 PolarHBondContact O-N 3.27Å; P204-N206 VanDerWaalsContact O-N 3.14Å; P204-W207 HydrophobicContact CB-CD2 4.19Å; P204-W207 HydrophobicContact CB-CG 3.92Å; P204-W207 HydrophobicContact CG-CD2 3.94Å; P204-W207 HydrophobicContact CG-CG 4.22Å; P204-W207 HydrophobicContact CG-CZ2 4.1Å; P204-W207 WeakPolarHBondContact O-CB 3.48Å; P204-W207 PolarHBondContact O-N 2.83Å; P204-N238 PolarHBondContact O-ND2 3.28Å; P204-N238 PolarHBondContact O-OD1 3.12Å; P204-L266 HydrophobicContact CG-CB 4.24Å; P204-E267 HydrophobicContact CG-CB 3.99Å | ||
| 205 | K | 89.6 | Confident | 91.8 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.3 | -171.3 | -65.5 | -174.7 | -179.4 | -176.7 | 0 | 115.2 | I203 R237 N238 | I203-K205 PolarHBondContact O-N 3.46Å; K205-R237 WeakPolarHBondContact O-CA 3.11Å; K205-R237 WeakPolarHBondContact O-CB 3.48Å; K205-N238 WeakPolarHBondContact CA-OD1 3.5Å; K205-N238 PolarHBondContact O-N 3.42Å |
| 206 | N | 89.4 | Confident | 92 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 56% | 0.556 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.2 | 175.8 | 55.6 | -30.9 | 0 | 0 | 0 | 112.9 | P204 | P204-N206 WeakPolarHBondContact CB-OD1 3.3Å; P204-N206 PolarHBondContact O-N 3.27Å; P204-N206 VanDerWaalsContact O-N 3.14Å |
| 207 | W | 89 | Confident | 92.1 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | trans | -71 | 137.2 | -177.3 | -75.4 | 11.7 | 0 | 0 | 0 | 112.6 | I203 P204 E211 F212 V215 N238 L266 E267 | I203-W207 HydrophobicContact CG2-CB 4.36Å; I203-W207 HydrophobicContact CG2-CE3 4.08Å; P204-W207 HydrophobicContact CB-CD2 4.19Å; P204-W207 HydrophobicContact CB-CG 3.92Å; P204-W207 HydrophobicContact CG-CD2 3.94Å; P204-W207 HydrophobicContact CG-CG 4.22Å; P204-W207 HydrophobicContact CG-CZ2 4.1Å; P204-W207 WeakPolarHBondContact O-CB 3.48Å; P204-W207 PolarHBondContact O-N 2.83Å; W207-E211 WeakPolarHBondContact CA-OE2 3.38Å; W207-F212 HydrophobicContact CE3-CB 4.11Å; W207-F212 AromaticContact CE3-CD2 3.9Å; W207-F212 HydrophobicContact CE3-CD2 3.9Å; W207-F212 AromaticContact CZ3-CD2 3.96Å; W207-F212 HydrophobicContact CZ3-CD2 3.96Å; W207-V215 HydrophobicContact CH2-CB 4.47Å; W207-V215 HydrophobicContact CH2-CG1 4.46Å; W207-V215 HydrophobicContact CH2-CG2 3.84Å; W207-V215 HydrophobicContact CZ3-CB 4.3Å; W207-V215 HydrophobicContact CZ3-CG2 4Å; W207-N238 PolarHBondContact O-ND2 2.96Å; W207-L266 HydrophobicContact CH2-CB 3.82Å; W207-L266 HydrophobicContact CH2-CD2 3.75Å; W207-L266 HydrophobicContact CH2-CG 4.31Å; W207-L266 HydrophobicContact CZ2-CB 4.38Å; W207-L266 HydrophobicContact CZ3-CB 4.19Å; W207-L266 HydrophobicContact CZ3-CD1 4.43Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.35Å; W207-E267 HydrophobicContact CZ2-CB 4.26Å; W207-E267 HydrophobicContact CZ2-CG 3.9Å; W207-E267 PolarHBondContact NE1-OE1 2.79Å | ||
| 208 | T | 90.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | trans | -82.1 | 165 | 168.4 | 59.2 | 0 | 0 | 0 | 0 | 111 | D210 E211 F212 | T208-D210 PolarHBondContact O-N 3.28Å; T208-E211 PolarHBondContact N-OE2 3.44Å; T208-E211 PolarHBondContact O-N 2.95Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.33Å; T208-E211 PolarHBondContact OG1-N 3.11Å; T208-E211 PolarHBondContact OG1-OE2 3.41Å; T208-F212 WeakPolarHBondContact O-CB 3.42Å; T208-F212 PolarHBondContact O-N 2.96Å; T208-F212 VanDerWaalsContact O-N 3.08Å | ||
| 209 | E | 90 | Very high | 91.7 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.6 | -170.5 | -176.6 | 142.6 | 0 | 0 | 111.1 | F212 R213 I226 L228 | E209-F212 PolarHBondContact O-N 3.15Å; E209-R213 WeakPolarHBondContact O-CB 3.26Å; E209-R213 PolarHBondContact O-N 3.31Å; E209-R213 IonicContact OE1-NH2 3.68Å; E209-I226 HydrophobicContact CG-CG2 4.18Å; E209-L228 HydrophobicContact CB-CB 4.47Å; E209-L228 HydrophobicContact CB-CD2 4.33Å; E209-L228 HydrophobicContact CG-CB 4.44Å |
| 210 | D | 91.5 | Very high | 91.4 | Very high | 106 Ų | 106 | 54.1 Ų | 54.1 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.1 | -41.6 | -179.6 | -59.3 | -40.4 | 0 | 0 | 0 | 112.7 | T208 R213 K214 | T208-D210 PolarHBondContact O-N 3.28Å; D210-R213 PolarHBondContact O-N 3.45Å; D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 3.01Å; D210-K214 VanDerWaalsContact O-N 3.1Å |
| 211 | E | 91.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.8 | -73.4 | 163.9 | 148.3 | 0 | 0 | 111 | W207 T208 R213 K214 V215 | W207-E211 WeakPolarHBondContact CA-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.44Å; T208-E211 PolarHBondContact O-N 2.95Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.33Å; T208-E211 PolarHBondContact OG1-N 3.11Å; T208-E211 PolarHBondContact OG1-OE2 3.41Å; E211-R213 VanDerWaalsContact C-N 3.35Å; E211-K214 PolarHBondContact O-N 3.2Å; E211-V215 PolarHBondContact O-N 2.99Å |
| 212 | F | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.5 | -177 | -115.1 | 0 | 0 | 0 | 111.5 | I200 I203 W207 T208 E209 K214 V215 I216 I226 A242 V244 L266 | I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.82Å; I200-F212 HydrophobicContact CG2-CE2 4.12Å; I200-F212 HydrophobicContact CG2-CZ 3.92Å; I203-F212 HydrophobicContact CD1-CD1 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.99Å; I203-F212 HydrophobicContact CD1-CE1 4.02Å; I203-F212 HydrophobicContact CD1-CE2 3.47Å; I203-F212 VanDerWaalsContact CD1-CE2 3.47Å; I203-F212 HydrophobicContact CD1-CG 4.46Å; I203-F212 HydrophobicContact CD1-CZ 3.49Å; I203-F212 VanDerWaalsContact CD1-CZ 3.49Å; I203-F212 HydrophobicContact CG1-CD2 4.4Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.33Å; I203-F212 HydrophobicContact CG2-CD2 4.06Å; I203-F212 HydrophobicContact CG2-CE2 4.4Å; W207-F212 HydrophobicContact CE3-CB 4.11Å; W207-F212 AromaticContact CE3-CD2 3.9Å; W207-F212 HydrophobicContact CE3-CD2 3.9Å; W207-F212 AromaticContact CZ3-CD2 3.96Å; W207-F212 HydrophobicContact CZ3-CD2 3.96Å; T208-F212 WeakPolarHBondContact O-CB 3.42Å; T208-F212 PolarHBondContact O-N 2.96Å; T208-F212 VanDerWaalsContact O-N 3.08Å; E209-F212 PolarHBondContact O-N 3.15Å; F212-K214 PolarHBondContact O-N 2.97Å; F212-V215 PolarHBondContact O-N 3.2Å; F212-I216 HydrophobicContact CD1-CG1 4.21Å; F212-I216 HydrophobicContact CD2-CD1 4.49Å; F212-I216 HydrophobicContact CD2-CG1 4.12Å; F212-I216 HydrophobicContact CE1-CD1 4.42Å; F212-I216 HydrophobicContact CE1-CG1 3.81Å; F212-I216 HydrophobicContact CE2-CD1 3.72Å; F212-I216 HydrophobicContact CE2-CG1 3.72Å; F212-I216 HydrophobicContact CG-CG1 4.36Å; F212-I216 HydrophobicContact CZ-CD1 3.68Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 WeakPolarHBondContact O-CG1 3.43Å; F212-I216 PolarHBondContact O-N 3.17Å; F212-I226 HydrophobicContact CD1-CG2 3.64Å; F212-I226 HydrophobicContact CE1-CG2 3.88Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.43Å; F212-A242 VanDerWaalsContact CE1-CB 3.43Å; F212-A242 HydrophobicContact CZ-CB 3.92Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.32Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å |
| 213 | R | 93.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.6 | -51.8 | 176.2 | 175.6 | 179.8 | -67.6 | -80.1 | -0.1 | 112.1 | E209 D210 E211 V215 I216 E217 I226 | E209-R213 WeakPolarHBondContact O-CB 3.26Å; E209-R213 PolarHBondContact O-N 3.31Å; E209-R213 IonicContact OE1-NH2 3.68Å; D210-R213 PolarHBondContact O-N 3.45Å; E211-R213 VanDerWaalsContact C-N 3.35Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.1Å; R213-I216 PolarHBondContact O-N 3.19Å; R213-I216 VanDerWaalsContact O-N 3.14Å; R213-E217 WeakPolarHBondContact CD-OE1 2.86Å; R213-E217 VanDerWaalsContact CG-CD 3.43Å; R213-E217 HydrophobicContact CG-CG 4.19Å; R213-E217 WeakPolarHBondContact CG-OE1 3.48Å; R213-E217 IonicContact NH1-OE1 2.94Å; R213-E217 PolarHBondContact NH1-OE1 3.1Å; R213-E217 VanDerWaalsContact NH1-OE1 3.1Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.2Å; R213-I226 VanDerWaalsContact CA-CD1 3.49Å; R213-I226 HydrophobicContact CB-CD1 3.67Å; R213-I226 HydrophobicContact CG-CD1 3.89Å |
| 214 | K | 91.8 | Very high | 91.2 | Very high | 153 Ų | 153 | 56.3 Ų | 56.3 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.1 | -41.1 | -179.9 | -73.9 | 176.5 | -178.8 | -176 | 0 | 112.4 | D210 E211 F212 D218 | D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 3.01Å; D210-K214 VanDerWaalsContact O-N 3.1Å; E211-K214 PolarHBondContact O-N 3.2Å; F212-K214 PolarHBondContact O-N 2.97Å; K214-D218 WeakPolarHBondContact O-CB 3.22Å; K214-D218 PolarHBondContact O-N 3.27Å |
| 215 | V | 92.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.4 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | W207 E211 F212 R213 D218 V219 F264 L266 | W207-V215 HydrophobicContact CH2-CB 4.47Å; W207-V215 HydrophobicContact CH2-CG1 4.46Å; W207-V215 HydrophobicContact CH2-CG2 3.84Å; W207-V215 HydrophobicContact CZ3-CB 4.3Å; W207-V215 HydrophobicContact CZ3-CG2 4Å; E211-V215 PolarHBondContact O-N 2.99Å; F212-V215 PolarHBondContact O-N 3.2Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.1Å; V215-D218 PolarHBondContact O-N 3.04Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 2.82Å; V215-F264 HydrophobicContact CG1-CE2 4.06Å; V215-F264 HydrophobicContact CG1-CZ 3.76Å; V215-L266 HydrophobicContact CG1-CD2 3.76Å |
| 216 | I | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -178.4 | -61.8 | -61.2 | 0 | 0 | 0 | 111.9 | I200 F212 R213 D218 V219 G220 V223 V244 Y246 M259 | I200-I216 HydrophobicContact CD1-CD1 3.64Å; I200-I216 HydrophobicContact CD1-CG1 4.46Å; F212-I216 HydrophobicContact CD1-CG1 4.21Å; F212-I216 HydrophobicContact CD2-CD1 4.49Å; F212-I216 HydrophobicContact CD2-CG1 4.12Å; F212-I216 HydrophobicContact CE1-CD1 4.42Å; F212-I216 HydrophobicContact CE1-CG1 3.81Å; F212-I216 HydrophobicContact CE2-CD1 3.72Å; F212-I216 HydrophobicContact CE2-CG1 3.72Å; F212-I216 HydrophobicContact CG-CG1 4.36Å; F212-I216 HydrophobicContact CZ-CD1 3.68Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 WeakPolarHBondContact O-CG1 3.43Å; F212-I216 PolarHBondContact O-N 3.17Å; R213-I216 PolarHBondContact O-N 3.19Å; R213-I216 VanDerWaalsContact O-N 3.14Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.44Å; I216-V219 PolarHBondContact O-N 3.24Å; I216-G220 PolarHBondContact O-N 2.9Å; I216-V223 HydrophobicContact CG2-CG2 3.79Å; I216-V244 HydrophobicContact CG2-CG1 4.07Å; I216-V244 HydrophobicContact CG2-CG2 4.44Å; I216-Y246 VanDerWaalsContact CG2-OH 3.3Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.2Å; I216-M259 HydrophobicContact CD1-CE 3.79Å; I216-M259 HydrophobicContact CD1-SD 3.48Å; I216-M259 WeakPolarHBondContact CD1-SD 3.36Å; I216-M259 HydrophobicContact CG2-CE 4.19Å |
| 217 | E | 91.8 | Very high | 91.5 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -28 | 175.8 | -72.4 | 173.5 | -176.2 | 0 | 0 | 112.6 | R213 V223 | R213-E217 WeakPolarHBondContact CD-OE1 2.86Å; R213-E217 VanDerWaalsContact CG-CD 3.43Å; R213-E217 HydrophobicContact CG-CG 4.19Å; R213-E217 WeakPolarHBondContact CG-OE1 3.48Å; R213-E217 IonicContact NH1-OE1 2.94Å; R213-E217 PolarHBondContact NH1-OE1 3.1Å; R213-E217 VanDerWaalsContact NH1-OE1 3.1Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.2Å; E217-V223 HydrophobicContact CG-CB 4.17Å; E217-V223 HydrophobicContact CG-CG2 4.14Å |
| 218 | D | 89.7 | Confident | 91.7 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.1 | -32.8 | 173.4 | -169.7 | 57.3 | 0 | 0 | 0 | 112.3 | K214 V215 I216 | K214-D218 WeakPolarHBondContact O-CB 3.22Å; K214-D218 PolarHBondContact O-N 3.27Å; V215-D218 PolarHBondContact O-N 3.04Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.44Å |
| 219 | V | 90.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | Y105 V215 I216 K258 M259 F264 | Y105-V219 PolarHBondContact OH-O 3.38Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 2.82Å; I216-V219 PolarHBondContact O-N 3.24Å; V219-K258 HydrophobicContact CG1-CB 3.61Å; V219-K258 HydrophobicContact CG1-CD 4.31Å; V219-K258 VanDerWaalsContact O-CD 3.32Å; V219-K258 WeakPolarHBondContact O-CD 3.35Å; V219-M259 HydrophobicContact CG1-CE 4.24Å; V219-M259 HydrophobicContact CG1-CG 3.84Å; V219-M259 HydrophobicContact CG2-CG 4.35Å; V219-F264 HydrophobicContact CG2-CD2 3.94Å; V219-F264 HydrophobicContact CG2-CE2 3.19Å; V219-F264 HydrophobicContact CG2-CZ 3.55Å |
| 220 | G | 88.9 | Confident | 91.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -166.5 | 160 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I216 | I216-G220 PolarHBondContact O-N 2.9Š| ||
| 221 | P | 92.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -79.3 | 168 | -174.4 | 34.7 | -38.3 | 0 | 0 | 0 | 112.2 | Y105 L108 L109 Y246 C251 | Y105-P221 HydrophobicContact CD1-CG 3.91Å; Y105-P221 HydrophobicContact CD2-CB 4.35Å; Y105-P221 HydrophobicContact CD2-CG 4.46Å; Y105-P221 HydrophobicContact CG-CB 4.13Å; Y105-P221 HydrophobicContact CG-CG 3.85Å; L108-P221 HydrophobicContact CB-CG 4.3Å; L108-P221 HydrophobicContact CD1-CG 4.15Å; L109-P221 HydrophobicContact CD1-CB 3.89Å; L109-P221 HydrophobicContact CD2-CB 4.08Å; L109-P221 HydrophobicContact CG-CB 3.88Å; L109-P221 HydrophobicContact CG-CG 4.41Å; P221-Y246 WeakPolarHBondContact O-CD1 3.43Å; P221-C251 WeakPolarHBondContact O-CB 3.36Å |
| 222 | G | 91.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | trans | 80.6 | 23.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115 | E224 Y246 Y247 | G222-E224 PolarHBondContact O-N 3.5Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.22Å; G222-Y247 WeakPolarHBondContact O-CB 3.48Å; G222-Y247 PolarHBondContact O-N 3.5Å | ||
| 223 | V | 94.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119.7 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | I216 E217 I226 V244 Y246 | I216-V223 HydrophobicContact CG2-CG2 3.79Å; E217-V223 HydrophobicContact CG-CB 4.17Å; E217-V223 HydrophobicContact CG-CG2 4.14Å; V223-I226 HydrophobicContact CG1-CD1 3.87Å; V223-I226 HydrophobicContact CG1-CG1 3.69Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-V244 HydrophobicContact CG2-CG1 4.46Å; V223-Y246 HydrophobicContact CG2-CD1 4.24Å; V223-Y246 HydrophobicContact CG2-CE1 3.64Å |
| 224 | E | 90.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -43.6 | 179.6 | -71.7 | -176.6 | 154.1 | 0 | 0 | 112.7 | H114 G222 L245 Y247 | H114-E224 IonicContact CE1-OE1 3.54Å; H114-E224 IonicContact CE1-OE2 2.85Å; H114-E224 PolarHBondContact CE1-OE2 3.24Å; H114-E224 IonicContact ND1-OE1 3.59Å; H114-E224 IonicContact ND1-OE2 2.78Å; G222-E224 PolarHBondContact O-N 3.5Å; E224-L245 PolarHBondContact N-O 3.23Å; E224-Y247 WeakPolarHBondContact OE1-CD2 3.23Å |
| 225 | N | 91.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136.3 | -176.6 | -169.3 | 2.6 | 0 | 0 | 0 | 111.3 | V244 L245 | N225-V244 CarbonylContact O-C 3.47Å; N225-V244 WeakPolarHBondContact O-CA 3.26Å; N225-L245 HydrophobicContact CB-CB 4Å; N225-L245 HydrophobicContact CB-CD2 4.31Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.94Å |
| 226 | I | 93.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.5 | 177.3 | -62.9 | 179.7 | 0 | 0 | 0 | 107.9 | E209 F212 R213 V223 F243 V244 | E209-I226 HydrophobicContact CG-CG2 4.18Å; F212-I226 HydrophobicContact CD1-CG2 3.64Å; F212-I226 HydrophobicContact CE1-CG2 3.88Å; R213-I226 VanDerWaalsContact CA-CD1 3.49Å; R213-I226 HydrophobicContact CB-CD1 3.67Å; R213-I226 HydrophobicContact CG-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CD1 3.87Å; V223-I226 HydrophobicContact CG1-CG1 3.69Å; I226-F243 CarbonylContact C-O 3.52Å; I226-F243 WeakPolarHBondContact CA-O 3.49Å; I226-V244 HydrophobicContact CG1-CG1 4.26Å; I226-V244 HydrophobicContact CG1-CG2 4.31Å |
| 227 | E | 92 | Very high | 89 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 86.1 | 177.3 | -169 | -179.8 | 170.7 | 0 | 0 | 109 | R197 I229 A242 F243 K279 | R197-E227 IonicContact NH2-OE2 3.5Å; R197-E227 PolarHBondContact NH2-OE2 3.17Å; E227-I229 HydrophobicContact CG-CD1 3.78Å; E227-I229 PolarHBondContact O-N 3.27Å; E227-A242 CarbonylContact O-C 3.54Å; E227-A242 VanDerWaalsContact O-CA 3.24Å; E227-A242 WeakPolarHBondContact O-CA 3.3Å; E227-F243 HydrophobicContact CB-CB 4.26Å; E227-F243 PolarHBondContact N-O 2.96Å; E227-F243 PolarHBondContact O-N 2.83Å; E227-K279 IonicContact OE1-NZ 2.86Å; E227-K279 IonicContact OE2-NZ 3.81Å; E227-K279 PolarHBondContact OE2-NZ 3.44Å |
| 228 | L | 92.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106.9 | 175.5 | -177.6 | 64 | 0 | 0 | 0 | 110 | I203 E209 K230 N238 A242 | I203-L228 HydrophobicContact CD1-CD1 3.98Å; I203-L228 HydrophobicContact CG2-CD1 4.42Å; E209-L228 HydrophobicContact CB-CB 4.47Å; E209-L228 HydrophobicContact CB-CD2 4.33Å; E209-L228 HydrophobicContact CG-CB 4.44Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-N238 HydrophobicContact CD1-CB 3.78Å; L228-N238 HydrophobicContact CD2-CB 3.91Å; L228-N238 HydrophobicContact CG-CB 3.76Å; L228-A242 HydrophobicContact CB-CB 4.39Å; L228-A242 HydrophobicContact CD1-CB 3.86Å |
| 229 | I | 91.5 | Very high | 88.9 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.4 | -175.4 | -57.5 | -56.9 | 0 | 0 | 0 | 109.9 | E227 N238 R239 F241 F243 | E227-I229 HydrophobicContact CG-CD1 3.78Å; E227-I229 PolarHBondContact O-N 3.27Å; I229-N238 CarbonylContact O-C 3.42Å; I229-N238 WeakPolarHBondContact O-CA 3.38Å; I229-R239 HydrophobicContact CB-CB 4.31Å; I229-R239 HydrophobicContact CG2-CB 4.05Å; I229-R239 HydrophobicContact CG2-CG 4.46Å; I229-R239 VanDerWaalsContact O-CB 3.25Å; I229-R239 WeakPolarHBondContact O-CB 3.42Å; I229-R239 PolarHBondContact O-N 2.9Å; I229-F241 HydrophobicContact CB-CD2 4.31Å; I229-F241 HydrophobicContact CB-CE1 4.45Å; I229-F241 HydrophobicContact CB-CE2 3.82Å; I229-F241 HydrophobicContact CB-CZ 3.89Å; I229-F241 HydrophobicContact CG1-CD2 4.01Å; I229-F241 HydrophobicContact CG1-CE2 3.41Å; I229-F241 VanDerWaalsContact CG1-CE2 3.41Å; I229-F241 HydrophobicContact CG1-CZ 3.9Å; I229-F241 HydrophobicContact CG2-CE1 4.42Å; I229-F241 HydrophobicContact CG2-CE2 4.28Å; I229-F241 HydrophobicContact CG2-CZ 3.87Å; I229-F241 PolarHBondContact N-O 3.02Å; I229-F243 HydrophobicContact CG1-CD2 4.33Å; I229-F243 HydrophobicContact CG1-CE2 4.2Å |
| 230 | K | 89.5 | Confident | 89 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 150.5 | 177.9 | -63.9 | -179.1 | -178.5 | -179.4 | 0 | 111.6 | L228 | L228-K230 PolarHBondContact O-N 3.45Å |
| 231 | D | 87.1 | Confident | 89.2 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 125.5 | 175.6 | -166.2 | -56.8 | 0 | 0 | 0 | 109.5 | T233 N234 T235 R237 R239 | D231-T233 PolarHBondContact O-N 3.37Å; D231-T233 WeakPolarHBondContact OD1-CB 3.46Å; D231-T233 PolarHBondContact OD1-N 2.74Å; D231-T233 PolarHBondContact OD1-OG1 2.88Å; D231-N234 CarbonylContact O-C 3.6Å; D231-N234 PolarHBondContact O-N 3.33Å; D231-N234 VanDerWaalsContact O-N 3.14Å; D231-T235 PolarHBondContact O-N 2.89Å; D231-R237 PolarHBondContact N-O 3.21Å; D231-R239 IonicContact OD2-NH1 3.46Å |
| 232 | P | 84.9 | Confident | 89.3 | Confident | 116 Ų | 116 | 64.1 Ų | 64.1 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -63.4 | -24.8 | -177.9 | 25.7 | -35.3 | 0 | 0 | 0 | 113 | ||
| 233 | T | 85.5 | Confident | 89.4 | Confident | 128 Ų | 128 | 65.2 Ų | 65.2 | 79% | 0.785 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -86.9 | -26 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | D231 | D231-T233 PolarHBondContact O-N 3.37Å; D231-T233 WeakPolarHBondContact OD1-CB 3.46Å; D231-T233 PolarHBondContact OD1-N 2.74Å; D231-T233 PolarHBondContact OD1-OG1 2.88Å |
| 234 | N | 82 | Confident | 89.4 | Confident | 58 Ų | 58 | 64 Ų | 64 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | trans | -144.5 | 92.3 | -178.7 | -170.1 | -6.6 | 0 | 0 | 0 | 110.8 | D231 T236 R237 | D231-N234 CarbonylContact O-C 3.6Å; D231-N234 PolarHBondContact O-N 3.33Å; D231-N234 VanDerWaalsContact O-N 3.14Å; N234-T236 PolarHBondContact ND2-OG1 2.94Å; N234-T236 PolarHBondContact O-N 2.98Å; N234-T236 WeakPolarHBondContact OD1-CB 3.35Å; N234-T236 PolarHBondContact OD1-N 3.46Å; N234-T236 PolarHBondContact OD1-OG1 2.94Å; N234-R237 PolarHBondContact O-N 3.48Å | ||
| 235 | T | 81.5 | Confident | 89.5 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 63% | 0.632 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.4 | -179.1 | -162.8 | 0 | 0 | 0 | 0 | 114.3 | D231 R237 | D231-T235 PolarHBondContact O-N 2.89Å; T235-R237 VanDerWaalsContact C-N 3.26Å |
| 236 | T | 81.1 | Confident | 89.6 | Confident | 115 Ų | 115 | 58 Ų | 58 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.4 | 174.6 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | N234 | N234-T236 PolarHBondContact ND2-OG1 2.94Å; N234-T236 PolarHBondContact O-N 2.98Å; N234-T236 WeakPolarHBondContact OD1-CB 3.35Å; N234-T236 PolarHBondContact OD1-N 3.46Å; N234-T236 PolarHBondContact OD1-OG1 2.94Å |
| 237 | R | 85.1 | Confident | 89.6 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -118.1 | 148.4 | -180 | -68 | -175 | 175.7 | 177.1 | -2.8 | 110.2 | K205 D231 N234 T235 | K205-R237 WeakPolarHBondContact O-CA 3.11Å; K205-R237 WeakPolarHBondContact O-CB 3.48Å; D231-R237 PolarHBondContact N-O 3.21Å; N234-R237 PolarHBondContact O-N 3.48Å; T235-R237 VanDerWaalsContact C-N 3.26Å |
| 238 | N | 90.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 159.8 | 167.7 | 73.5 | 51.9 | 0 | 0 | 0 | 110.6 | P204 K205 W207 L228 I229 G240 | P204-N238 PolarHBondContact O-ND2 3.28Å; P204-N238 PolarHBondContact O-OD1 3.12Å; K205-N238 WeakPolarHBondContact CA-OD1 3.5Å; K205-N238 PolarHBondContact O-N 3.42Å; W207-N238 PolarHBondContact O-ND2 2.96Å; L228-N238 HydrophobicContact CD1-CB 3.78Å; L228-N238 HydrophobicContact CD2-CB 3.91Å; L228-N238 HydrophobicContact CG-CB 3.76Å; I229-N238 CarbonylContact O-C 3.42Å; I229-N238 WeakPolarHBondContact O-CA 3.38Å; N238-G240 PolarHBondContact O-N 3.19Å; N238-G240 VanDerWaalsContact OD1-CA 3.3Å; N238-G240 WeakPolarHBondContact OD1-CA 3.3Å; N238-G240 PolarHBondContact OD1-N 3.1Å |
| 239 | R | 90.4 | Very high | 89.6 | Confident | 122 Ų | 122 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -7.7 | -179.9 | -172.3 | 57.9 | -177.4 | 143.6 | 7 | 112.3 | I229 D231 F241 | I229-R239 HydrophobicContact CB-CB 4.31Å; I229-R239 HydrophobicContact CG2-CB 4.05Å; I229-R239 HydrophobicContact CG2-CG 4.46Å; I229-R239 VanDerWaalsContact O-CB 3.25Å; I229-R239 WeakPolarHBondContact O-CB 3.42Å; I229-R239 PolarHBondContact O-N 2.9Å; D231-R239 IonicContact OD2-NH1 3.46Å; R239-F241 HydrophobicContact CB-CD1 4.09Å; R239-F241 HydrophobicContact CB-CE1 3.92Å; R239-F241 HydrophobicContact CG-CD1 3.77Å; R239-F241 HydrophobicContact CG-CE1 3.29Å; R239-F241 HydrophobicContact CG-CZ 4.23Å |
| 240 | G | 91.7 | Very high | 89.7 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.2 | 14.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G201 N202 I203 N238 | G201-G240 CarbonylContact C-O 3.52Å; N202-G240 PolarHBondContact N-O 3.45Å; I203-G240 PolarHBondContact N-O 3.34Å; I203-G240 WeakPolarHBondContact O-CA 2.94Å; N238-G240 PolarHBondContact O-N 3.19Å; N238-G240 VanDerWaalsContact OD1-CA 3.3Å; N238-G240 WeakPolarHBondContact OD1-CA 3.3Å; N238-G240 PolarHBondContact OD1-N 3.1Å |
| 241 | F | 93.8 | Very high | 89.9 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 23% | 0.232 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156 | 173.4 | 70.8 | -92.4 | 0 | 0 | 0 | 112.2 | F199 I200 I229 R239 F243 | F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.64Å; F199-F241 AromaticContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CD2 3.48Å; F199-F241 VanDerWaalsContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CE2 4.23Å; F199-F241 AromaticContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CZ-CB 3.74Å; F199-F241 HydrophobicContact CZ-CD2 4.38Å; F199-F241 HydrophobicContact CZ-CG 4.15Å; I200-F241 CarbonylContact O-C 3.16Å; I200-F241 WeakPolarHBondContact O-CA 3.2Å; I200-F241 WeakPolarHBondContact O-CB 3.3Å; I229-F241 HydrophobicContact CB-CD2 4.31Å; I229-F241 HydrophobicContact CB-CE1 4.45Å; I229-F241 HydrophobicContact CB-CE2 3.82Å; I229-F241 HydrophobicContact CB-CZ 3.89Å; I229-F241 HydrophobicContact CG1-CD2 4.01Å; I229-F241 HydrophobicContact CG1-CE2 3.41Å; I229-F241 VanDerWaalsContact CG1-CE2 3.41Å; I229-F241 HydrophobicContact CG1-CZ 3.9Å; I229-F241 HydrophobicContact CG2-CE1 4.42Å; I229-F241 HydrophobicContact CG2-CE2 4.28Å; I229-F241 HydrophobicContact CG2-CZ 3.87Å; I229-F241 PolarHBondContact N-O 3.02Å; R239-F241 HydrophobicContact CB-CD1 4.09Å; R239-F241 HydrophobicContact CB-CE1 3.92Å; R239-F241 HydrophobicContact CG-CD1 3.77Å; R239-F241 HydrophobicContact CG-CE1 3.29Å; R239-F241 HydrophobicContact CG-CZ 4.23Å; F241-F243 HydrophobicContact CD2-CE2 4.17Å; F241-F243 AromaticContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CZ 4.16Å |
| 242 | A | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 161.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I200 I203 F212 E227 L228 | I200-A242 PolarHBondContact N-O 2.92Å; I200-A242 PolarHBondContact O-N 3.17Å; I203-A242 HydrophobicContact CD1-CB 3.45Å; I203-A242 VanDerWaalsContact CD1-CB 3.45Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.43Å; F212-A242 VanDerWaalsContact CE1-CB 3.43Å; F212-A242 HydrophobicContact CZ-CB 3.92Å; E227-A242 CarbonylContact O-C 3.54Å; E227-A242 VanDerWaalsContact O-CA 3.24Å; E227-A242 WeakPolarHBondContact O-CA 3.3Å; L228-A242 HydrophobicContact CB-CB 4.39Å; L228-A242 HydrophobicContact CD1-CB 3.86Å |
| 243 | F | 94.6 | Very high | 90.7 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 18% | 0.18 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.8 | 164.9 | -59.4 | -86 | 0 | 0 | 0 | 110 | R197 L198 F199 I226 E227 I229 F241 A276 | R197-F243 HydrophobicContact CG-CB 4.49Å; R197-F243 VanDerWaalsContact NH2-CB 3.3Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; L198-F243 CarbonylContact O-C 3.56Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.37Å; F199-F243 HydrophobicContact CB-CD1 4.27Å; F199-F243 HydrophobicContact CB-CE1 4.21Å; F199-F243 HydrophobicContact CD2-CD1 4.27Å; F199-F243 AromaticContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CZ 4.07Å; F199-F243 HydrophobicContact CG-CE1 4.47Å; I226-F243 CarbonylContact C-O 3.52Å; I226-F243 WeakPolarHBondContact CA-O 3.49Å; E227-F243 HydrophobicContact CB-CB 4.26Å; E227-F243 PolarHBondContact N-O 2.96Å; E227-F243 PolarHBondContact O-N 2.83Å; I229-F243 HydrophobicContact CG1-CD2 4.33Å; I229-F243 HydrophobicContact CG1-CE2 4.2Å; F241-F243 HydrophobicContact CD2-CE2 4.17Å; F241-F243 AromaticContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CZ 4.16Å; F243-A276 HydrophobicContact CD1-CB 3.71Å; F243-A276 HydrophobicContact CE1-CB 4.05Å |
| 244 | V | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.3 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | R197 L198 I200 F212 I216 V223 N225 I226 Y246 | R197-V244 CarbonylContact C-O 3.54Å; R197-V244 VanDerWaalsContact CA-O 3.3Å; R197-V244 WeakPolarHBondContact CA-O 3.41Å; L198-V244 PolarHBondContact N-O 2.96Å; L198-V244 PolarHBondContact O-N 3.12Å; I200-V244 HydrophobicContact CD1-CB 4.37Å; I200-V244 HydrophobicContact CD1-CG2 3.64Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.32Å; I216-V244 HydrophobicContact CG2-CG1 4.07Å; I216-V244 HydrophobicContact CG2-CG2 4.44Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-V244 HydrophobicContact CG2-CG1 4.46Å; N225-V244 CarbonylContact O-C 3.47Å; N225-V244 WeakPolarHBondContact O-CA 3.26Å; I226-V244 HydrophobicContact CG1-CG1 4.26Å; I226-V244 HydrophobicContact CG1-CG2 4.31Å; V244-Y246 HydrophobicContact CB-CE2 3.89Å; V244-Y246 HydrophobicContact CG1-CD2 3.98Å; V244-Y246 HydrophobicContact CG1-CE2 3.37Å |
| 245 | L | 92.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 129.9 | 172.6 | -174.2 | 68.9 | 0 | 0 | 0 | 109 | N196 R197 E224 N225 | N196-L245 WeakPolarHBondContact ND2-CD1 3.42Å; R197-L245 HydrophobicContact CB-CD1 4.19Å; R197-L245 HydrophobicContact CG-CD1 4.48Å; E224-L245 PolarHBondContact N-O 3.23Å; N225-L245 HydrophobicContact CB-CB 4Å; N225-L245 HydrophobicContact CB-CD2 4.31Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.94Å |
| 246 | Y | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155.7 | 175.3 | -71.4 | -96.2 | 0 | 0 | 0 | 111.7 | H114 N196 L198 I216 P221 G222 V223 V244 N248 C251 A252 S255 M259 | H114-Y246 PolarHBondContact ND1-O 3.31Å; N196-Y246 PolarHBondContact O-N 3.49Å; L198-Y246 HydrophobicContact CB-CE2 4.44Å; L198-Y246 HydrophobicContact CD1-CD2 4.36Å; L198-Y246 HydrophobicContact CD1-CE2 3.58Å; L198-Y246 HydrophobicContact CG-CD2 4.27Å; L198-Y246 HydrophobicContact CG-CE2 3.87Å; I216-Y246 VanDerWaalsContact CG2-OH 3.3Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.2Å; P221-Y246 WeakPolarHBondContact O-CD1 3.43Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.22Å; V223-Y246 HydrophobicContact CG2-CD1 4.24Å; V223-Y246 HydrophobicContact CG2-CE1 3.64Å; V244-Y246 HydrophobicContact CB-CE2 3.89Å; V244-Y246 HydrophobicContact CG1-CD2 3.98Å; V244-Y246 HydrophobicContact CG1-CE2 3.37Å; Y246-N248 VanDerWaalsContact C-N 3.28Å; Y246-N248 PolarHBondContact O-N 2.76Å; Y246-C251 HydrophobicContact CD1-CB 3.99Å; Y246-C251 HydrophobicContact CG-CB 4.5Å; Y246-A252 HydrophobicContact CD2-CB 3.75Å; Y246-A252 HydrophobicContact CG-CB 3.86Å; Y246-S255 WeakPolarHBondContact CE1-OG 3.05Å; Y246-S255 VanDerWaalsContact CZ-CB 3.42Å; Y246-S255 WeakPolarHBondContact OH-CB 3.25Å; Y246-S255 PolarHBondContact OH-OG 3.27Å; Y246-M259 WeakPolarHBondContact OH-CE 3.37Å |
| 247 | Y | 92.1 | Very high | 93 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -52.2 | -44.6 | 177.8 | 178.9 | -106.7 | 0 | 0 | 0 | 112.1 | L111 P113 H114 G222 E224 | L111-Y247 WeakPolarHBondContact O-CE1 3.13Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 WeakPolarHBondContact CA-O 2.85Å; P113-Y247 HydrophobicContact CB-CD2 4.07Å; P113-Y247 HydrophobicContact CB-CE1 4.06Å; P113-Y247 HydrophobicContact CB-CE2 3.54Å; P113-Y247 WeakPolarHBondContact CD-OH 3.29Å; P113-Y247 HydrophobicContact CG-CE2 4.32Å; H114-Y247 PolarHBondContact N-O 3.34Å; H114-Y247 PolarHBondContact ND1-O 2.85Å; G222-Y247 WeakPolarHBondContact O-CB 3.48Å; G222-Y247 PolarHBondContact O-N 3.5Å; E224-Y247 WeakPolarHBondContact OE1-CD2 3.23Å |
| 248 | N | 92.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -146.4 | 171.5 | 177.1 | 63.2 | 30.6 | 0 | 0 | 0 | 111.4 | L108 L111 P112 Y246 A250 C251 A252 | L108-N248 PolarHBondContact O-ND2 3.48Å; L111-N248 PolarHBondContact O-ND2 3.18Å; L111-N248 VanDerWaalsContact O-ND2 3.17Å; P112-N248 WeakPolarHBondContact O-CB 3.21Å; Y246-N248 VanDerWaalsContact C-N 3.28Å; Y246-N248 PolarHBondContact O-N 2.76Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 3.45Å; N248-A250 PolarHBondContact OD1-N 2.85Å; N248-C251 VanDerWaalsContact OD1-CB 3.3Å; N248-C251 WeakPolarHBondContact OD1-CB 3.06Å; N248-C251 PolarHBondContact OD1-N 3.18Å; N248-C251 PolarHBondContact OD1-SG 3.49Å; N248-A252 PolarHBondContact O-N 2.82Å |
| 249 | N | 92.4 | Very high | 93.4 | Very high | 71 Ų | 71 | 35.9 Ų | 35.9 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 178.9 | 168.6 | -96.2 | 0 | 0 | 0 | 112.2 | K195 A252 D253 | K195-N249 WeakPolarHBondContact O-CB 3.11Å; K195-N249 PolarHBondContact O-ND2 2.99Å; N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.89Å; N249-D253 PolarHBondContact O-N 2.81Å |
| 250 | A | 93.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 34 Ų | 34 | 21% | 0.207 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L108 L111 N248 A252 D253 Y254 | L108-A250 HydrophobicContact CD2-CB 3.72Å; L111-A250 HydrophobicContact CD1-CB 3.38Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 3.45Å; N248-A250 PolarHBondContact OD1-N 2.85Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 2.94Å; A250-D253 PolarHBondContact O-N 3.12Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.37Å; A250-Y254 PolarHBondContact O-N 3.46Å |
| 251 | C | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 172.7 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | P221 Y246 N248 S255 | P221-C251 WeakPolarHBondContact O-CB 3.36Å; Y246-C251 HydrophobicContact CD1-CB 3.99Å; Y246-C251 HydrophobicContact CG-CB 4.5Å; N248-C251 VanDerWaalsContact OD1-CB 3.3Å; N248-C251 WeakPolarHBondContact OD1-CB 3.06Å; N248-C251 PolarHBondContact OD1-N 3.18Å; N248-C251 PolarHBondContact OD1-SG 3.49Å; C251-S255 WeakPolarHBondContact O-CB 3.32Å; C251-S255 PolarHBondContact O-N 3.39Å; C251-S255 PolarHBondContact O-OG 3.24Å |
| 252 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L198 Y246 N248 N249 A250 S255 R256 W275 | L198-A252 WeakPolarHBondContact CD1-O 3.37Å; Y246-A252 HydrophobicContact CD2-CB 3.75Å; Y246-A252 HydrophobicContact CG-CB 3.86Å; N248-A252 PolarHBondContact O-N 2.82Å; N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.89Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 2.94Å; A252-S255 PolarHBondContact O-N 2.88Å; A252-R256 VanDerWaalsContact O-CB 3.24Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 3.14Å; A252-W275 HydrophobicContact CB-CH2 3.79Å; A252-W275 HydrophobicContact CB-CZ3 3.59Å |
| 253 | D | 94.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -40.5 | -178.4 | -167.7 | 55.6 | 0 | 0 | 0 | 111.6 | N249 A250 S255 R256 Q257 W275 | N249-D253 PolarHBondContact O-N 2.81Å; A250-D253 PolarHBondContact O-N 3.12Å; D253-S255 VanDerWaalsContact C-N 3.34Å; D253-S255 PolarHBondContact O-N 2.85Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.05Å; D253-R256 IonicContact OD1-NH1 2.75Å; D253-R256 PolarHBondContact OD1-NH1 3.47Å; D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.34Å; D253-Q257 PolarHBondContact OD2-NE2 2.97Å; D253-W275 HydrophobicContact CB-CH2 3.93Å; D253-W275 HydrophobicContact CB-CZ2 3.93Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.46Å |
| 254 | Y | 94.1 | Very high | 92.2 | Very high | 37 Ų | 37 | 46 Ų | 46 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.9 | -50.5 | 172.6 | -179.9 | -91.9 | 0 | 0 | 0 | 111.6 | D101 Y105 L108 A250 R256 Q257 K258 | D101-Y254 PolarHBondContact OD1-OH 2.81Å; D101-Y254 VanDerWaalsContact OD1-OH 3.09Å; Y105-Y254 HydrophobicContact CD1-CE1 4.28Å; Y105-Y254 HydrophobicContact CE1-CD1 4.47Å; Y105-Y254 AromaticContact CE1-CE1 3.5Å; Y105-Y254 HydrophobicContact CE1-CE1 3.5Å; Y105-Y254 VanDerWaalsContact CE1-CE1 3.5Å; Y105-Y254 AromaticContact CE1-CZ 3.67Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.44Å; L108-Y254 HydrophobicContact CD1-CD1 4.06Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.54Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.37Å; A250-Y254 PolarHBondContact O-N 3.46Å; Y254-R256 VanDerWaalsContact C-N 3.33Å; Y254-R256 PolarHBondContact O-N 3.46Å; Y254-Q257 PolarHBondContact O-N 3.1Å; Y254-K258 HydrophobicContact CE1-CD 3.72Å; Y254-K258 HydrophobicContact CE1-CG 4.33Å; Y254-K258 PolarHBondContact O-N 3.04Å; Y254-K258 WeakPolarHBondContact OH-CE 3.09Å; Y254-K258 PolarHBondContact OH-NZ 2.97Å |
| 255 | S | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | Y246 C251 A252 D253 K258 M259 | Y246-S255 WeakPolarHBondContact CE1-OG 3.05Å; Y246-S255 VanDerWaalsContact CZ-CB 3.42Å; Y246-S255 WeakPolarHBondContact OH-CB 3.25Å; Y246-S255 PolarHBondContact OH-OG 3.27Å; C251-S255 WeakPolarHBondContact O-CB 3.32Å; C251-S255 PolarHBondContact O-N 3.39Å; C251-S255 PolarHBondContact O-OG 3.24Å; A252-S255 PolarHBondContact O-N 2.88Å; D253-S255 VanDerWaalsContact C-N 3.34Å; D253-S255 PolarHBondContact O-N 2.85Å; S255-K258 PolarHBondContact O-N 3.2Å; S255-M259 WeakPolarHBondContact O-CB 3.44Å; S255-M259 WeakPolarHBondContact O-CE 3.44Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.45Å; S255-M259 PolarHBondContact O-N 2.76Å |
| 256 | R | 95.1 | Very high | 91.6 | Very high | 67 Ų | 67 | 50 Ų | 50 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 173.8 | 173.6 | 177.3 | 169.1 | -89.6 | -6.3 | 111.6 | L198 A252 D253 Y254 M259 I260 V273 | L198-R256 HydrophobicContact CD1-CB 3.81Å; L198-R256 HydrophobicContact CD2-CB 3.86Å; L198-R256 HydrophobicContact CD2-CG 4.29Å; A252-R256 VanDerWaalsContact O-CB 3.24Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 3.14Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.05Å; D253-R256 IonicContact OD1-NH1 2.75Å; D253-R256 PolarHBondContact OD1-NH1 3.47Å; Y254-R256 VanDerWaalsContact C-N 3.33Å; Y254-R256 PolarHBondContact O-N 3.46Å; R256-M259 PolarHBondContact O-N 2.92Å; R256-I260 HydrophobicContact CG-CD1 3.57Å; R256-I260 HydrophobicContact CG-CG1 4.37Å; R256-I260 WeakPolarHBondContact O-CB 3.24Å; R256-I260 VanDerWaalsContact O-CG1 3.23Å; R256-I260 WeakPolarHBondContact O-CG1 3.41Å; R256-I260 PolarHBondContact O-N 3.1Å; R256-V273 HydrophobicContact CB-CG1 4.28Å; R256-V273 HydrophobicContact CG-CG1 4.01Å |
| 257 | Q | 93.6 | Very high | 91 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 179.4 | -70.4 | -180 | 21.6 | 0 | 0 | 111.1 | D253 Y254 M259 I260 D261 | D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.34Å; D253-Q257 PolarHBondContact OD2-NE2 2.97Å; Y254-Q257 PolarHBondContact O-N 3.1Å; Q257-M259 PolarHBondContact O-N 3.34Å; Q257-I260 PolarHBondContact O-N 2.79Å; Q257-D261 PolarHBondContact O-N 2.97Å |
| 258 | K | 91.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 30% | 0.3 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.7 | -87.8 | -163.9 | 165.2 | 174.8 | 0 | 113.2 | D101 V219 Y254 S255 D261 F264 | D101-K258 IonicContact OD1-NZ 3.74Å; D101-K258 PolarHBondContact OD1-NZ 2.82Å; D101-K258 IonicContact OD2-NZ 2.81Å; D101-K258 PolarHBondContact OD2-NZ 2.77Å; V219-K258 HydrophobicContact CG1-CB 3.61Å; V219-K258 HydrophobicContact CG1-CD 4.31Å; V219-K258 VanDerWaalsContact O-CD 3.32Å; V219-K258 WeakPolarHBondContact O-CD 3.35Å; Y254-K258 HydrophobicContact CE1-CD 3.72Å; Y254-K258 HydrophobicContact CE1-CG 4.33Å; Y254-K258 PolarHBondContact O-N 3.04Å; Y254-K258 WeakPolarHBondContact OH-CE 3.09Å; Y254-K258 PolarHBondContact OH-NZ 2.97Å; S255-K258 PolarHBondContact O-N 3.2Å; K258-D261 WeakPolarHBondContact O-CB 3.12Å; K258-F264 WeakPolarHBondContact O-CB 3.36Å |
| 259 | M | 91.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80.1 | -23.6 | -180 | -65.8 | -175.7 | -124.1 | 0 | 0 | 114.7 | L198 I200 I216 V219 Y246 S255 R256 Q257 D261 F264 V273 | L198-M259 HydrophobicContact CD1-CE 4.26Å; I200-M259 HydrophobicContact CD1-CE 3.9Å; I200-M259 HydrophobicContact CD1-SD 3.51Å; I200-M259 VanDerWaalsContact CD1-SD 3.51Å; I200-M259 HydrophobicContact CG1-SD 4.29Å; I216-M259 HydrophobicContact CD1-CE 3.79Å; I216-M259 HydrophobicContact CD1-SD 3.48Å; I216-M259 WeakPolarHBondContact CD1-SD 3.36Å; I216-M259 HydrophobicContact CG2-CE 4.19Å; V219-M259 HydrophobicContact CG1-CE 4.24Å; V219-M259 HydrophobicContact CG1-CG 3.84Å; V219-M259 HydrophobicContact CG2-CG 4.35Å; Y246-M259 WeakPolarHBondContact OH-CE 3.37Å; S255-M259 WeakPolarHBondContact O-CB 3.44Å; S255-M259 WeakPolarHBondContact O-CE 3.44Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.45Å; S255-M259 PolarHBondContact O-N 2.76Å; R256-M259 PolarHBondContact O-N 2.92Å; Q257-M259 PolarHBondContact O-N 3.34Å; M259-D261 VanDerWaalsContact C-N 3.29Å; M259-F264 HydrophobicContact CB-CD1 3.8Å; M259-F264 HydrophobicContact CB-CE1 3.92Å; M259-F264 HydrophobicContact CG-CD1 3.9Å; M259-F264 HydrophobicContact CG-CE1 3.59Å; M259-F264 HydrophobicContact CG-CZ 4.06Å; M259-F264 HydrophobicContact SD-CE1 4.25Å; M259-V273 HydrophobicContact CB-CB 4.44Å; M259-V273 HydrophobicContact CB-CG2 3.64Å; M259-V273 HydrophobicContact SD-CG2 4.27Å |
| 260 | I | 91.4 | Very high | 90 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 43% | 0.431 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.6 | -24.6 | 173.7 | -70.3 | 170.7 | 0 | 0 | 0 | 110.8 | R256 Q257 S262 V273 | R256-I260 HydrophobicContact CG-CD1 3.57Å; R256-I260 HydrophobicContact CG-CG1 4.37Å; R256-I260 WeakPolarHBondContact O-CB 3.24Å; R256-I260 VanDerWaalsContact O-CG1 3.23Å; R256-I260 WeakPolarHBondContact O-CG1 3.41Å; R256-I260 PolarHBondContact O-N 3.1Å; Q257-I260 PolarHBondContact O-N 2.79Å; I260-S262 PolarHBondContact O-N 2.75Å; I260-V273 HydrophobicContact CG1-CB 3.95Å |
| 261 | D | 89.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -55.4 | 136.6 | 177.4 | -171.2 | 4 | 0 | 0 | 0 | 111 | Q257 K258 M259 N263 F264 | Q257-D261 PolarHBondContact O-N 2.97Å; K258-D261 WeakPolarHBondContact O-CB 3.12Å; M259-D261 VanDerWaalsContact C-N 3.29Å; D261-N263 PolarHBondContact O-N 3.3Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.84Å; D261-N263 PolarHBondContact OD1-ND2 2.85Å; D261-N263 PolarHBondContact OD2-ND2 2.87Å; D261-F264 PolarHBondContact O-N 2.96Å |
| 262 | S | 84.6 | Confident | 89.8 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 71% | 0.713 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.8 | -179.3 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | I260 F264 | I260-S262 PolarHBondContact O-N 2.75Å; S262-F264 VanDerWaalsContact C-N 3.35Å |
| 263 | N | 86.6 | Confident | 89.8 | Confident | 137 Ų | 137 | 61.4 Ų | 61.4 | 73% | 0.733 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.2 | 175.4 | -63.3 | -39.3 | 0 | 0 | 0 | 112.6 | D261 | D261-N263 PolarHBondContact O-N 3.3Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.84Å; D261-N263 PolarHBondContact OD1-ND2 2.85Å; D261-N263 PolarHBondContact OD2-ND2 2.87Å |
| 264 | F | 87.5 | Confident | 89.9 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | trans | -83.8 | 122.8 | -179 | -174.2 | -104.2 | 0 | 0 | 0 | 111 | V215 V219 K258 M259 D261 S262 L266 P271 | V215-F264 HydrophobicContact CG1-CE2 4.06Å; V215-F264 HydrophobicContact CG1-CZ 3.76Å; V219-F264 HydrophobicContact CG2-CD2 3.94Å; V219-F264 HydrophobicContact CG2-CE2 3.19Å; V219-F264 HydrophobicContact CG2-CZ 3.55Å; K258-F264 WeakPolarHBondContact O-CB 3.36Å; M259-F264 HydrophobicContact CB-CD1 3.8Å; M259-F264 HydrophobicContact CB-CE1 3.92Å; M259-F264 HydrophobicContact CG-CD1 3.9Å; M259-F264 HydrophobicContact CG-CE1 3.59Å; M259-F264 HydrophobicContact CG-CZ 4.06Å; M259-F264 HydrophobicContact SD-CE1 4.25Å; D261-F264 PolarHBondContact O-N 2.96Å; S262-F264 VanDerWaalsContact C-N 3.35Å; F264-L266 HydrophobicContact CE1-CD2 3.59Å; F264-L266 HydrophobicContact CE1-CG 4.17Å; F264-L266 HydrophobicContact CZ-CD2 3.54Å; F264-P271 HydrophobicContact CD1-CG 3.6Å; F264-P271 HydrophobicContact CE1-CG 3.77Å | ||
| 265 | K | 87.1 | Confident | 89.9 | Confident | 126 Ų | 126 | 63.4 Ų | 63.4 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | trans | -139.3 | 133.4 | -178.8 | -64.3 | -177.1 | -178.3 | 177.6 | 0 | 111.1 | E267 N269 | K265-E267 PolarHBondContact O-N 3.37Å; K265-N269 CarbonylContact C-O 3.54Å; K265-N269 WeakPolarHBondContact CA-O 3.48Å | ||
| 266 | L | 86.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -90.5 | 99 | 171.2 | -54.7 | -177.5 | 0 | 0 | 0 | 108.4 | I200 I203 P204 W207 F212 V215 F264 G268 N269 P271 | I200-L266 HydrophobicContact CG2-CD1 4.49Å; I203-L266 HydrophobicContact CG1-CD1 4.14Å; P204-L266 HydrophobicContact CG-CB 4.24Å; W207-L266 HydrophobicContact CH2-CB 3.82Å; W207-L266 HydrophobicContact CH2-CD2 3.75Å; W207-L266 HydrophobicContact CH2-CG 4.31Å; W207-L266 HydrophobicContact CZ2-CB 4.38Å; W207-L266 HydrophobicContact CZ3-CB 4.19Å; W207-L266 HydrophobicContact CZ3-CD1 4.43Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.35Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å; V215-L266 HydrophobicContact CG1-CD2 3.76Å; F264-L266 HydrophobicContact CE1-CD2 3.59Å; F264-L266 HydrophobicContact CE1-CG 4.17Å; F264-L266 HydrophobicContact CZ-CD2 3.54Å; L266-G268 PolarHBondContact O-N 2.78Å; L266-N269 PolarHBondContact N-O 3.07Å; L266-N269 WeakPolarHBondContact O-CB 3.42Å; L266-N269 PolarHBondContact O-N 2.99Å; L266-P271 HydrophobicContact CD1-CB 3.84Å; L266-P271 HydrophobicContact CD1-CG 4.42Å; L266-P271 HydrophobicContact CG-CB 4.2Å; L266-P271 HydrophobicContact CG-CG 4.28Å |
| 267 | E | 82.8 | Confident | 89.3 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.4 | -175.2 | -90.7 | -179.5 | -160.9 | 0 | 0 | 113.6 | P204 W207 K265 N269 | P204-E267 HydrophobicContact CG-CB 3.99Å; W207-E267 HydrophobicContact CZ2-CB 4.26Å; W207-E267 HydrophobicContact CZ2-CG 3.9Å; W207-E267 PolarHBondContact NE1-OE1 2.79Å; K265-E267 PolarHBondContact O-N 3.37Å; E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.77Å |
| 268 | G | 81.8 | Confident | 88.3 | Confident | 54 Ų | 54 | 68 Ų | 68 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L266 | L266-G268 PolarHBondContact O-N 2.78Š|
| 269 | N | 84.3 | Confident | 87.2 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -85.8 | 131.6 | 172.1 | -64.8 | -24 | 0 | 0 | 0 | 110.4 | K265 L266 E267 P271 | K265-N269 CarbonylContact C-O 3.54Å; K265-N269 WeakPolarHBondContact CA-O 3.48Å; L266-N269 PolarHBondContact N-O 3.07Å; L266-N269 WeakPolarHBondContact O-CB 3.42Å; L266-N269 PolarHBondContact O-N 2.99Å; E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.77Å; N269-P271 WeakPolarHBondContact O-CD 3.48Å |
| 270 | A | 89.9 | Confident | 85.3 | Confident | 62 Ų | 62 | 75 Ų | 75 | 51% | 0.512 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 120.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N202 | N202-A270 PolarHBondContact ND2-O 3.32Š|
| 271 | P | 91.6 | Very high | 83.1 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 10% | 0.104 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 152.9 | 177.7 | 28.7 | -32.5 | 0 | 0 | 0 | 111.1 | I200 G201 F264 L266 N269 V273 | I200-P271 HydrophobicContact CG2-CB 4.14Å; G201-P271 WeakPolarHBondContact O-CA 3.46Å; F264-P271 HydrophobicContact CD1-CG 3.6Å; F264-P271 HydrophobicContact CE1-CG 3.77Å; L266-P271 HydrophobicContact CD1-CB 3.84Å; L266-P271 HydrophobicContact CD1-CG 4.42Å; L266-P271 HydrophobicContact CG-CB 4.2Å; L266-P271 HydrophobicContact CG-CG 4.28Å; N269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.22Å |
| 272 | T | 92.8 | Very high | 81 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.8 | 167.2 | -58 | 0 | 0 | 0 | 0 | 108 | I200 G201 | I200-T272 CarbonylContact C-O 3.51Å; I200-T272 WeakPolarHBondContact CA-O 3.12Å; G201-T272 PolarHBondContact N-O 2.89Å; G201-T272 PolarHBondContact O-N 2.99Å |
| 273 | V | 94.8 | Very high | 79.2 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.7 | -178.2 | -172 | 0 | 0 | 0 | 0 | 110.7 | L198 F199 I200 R256 M259 I260 P271 | L198-V273 HydrophobicContact CD1-CG1 4.1Å; F199-V273 WeakPolarHBondContact O-CA 2.96Å; I200-V273 HydrophobicContact CG1-CG1 4.31Å; I200-V273 HydrophobicContact CG1-CG2 4.27Å; I200-V273 HydrophobicContact CG2-CG2 4.34Å; R256-V273 HydrophobicContact CB-CG1 4.28Å; R256-V273 HydrophobicContact CG-CG1 4.01Å; M259-V273 HydrophobicContact CB-CB 4.44Å; M259-V273 HydrophobicContact CB-CG2 3.64Å; M259-V273 HydrophobicContact SD-CG2 4.27Å; I260-V273 HydrophobicContact CG1-CB 3.95Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.22Å |
| 274 | T | 94.9 | Very high | 77.5 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 162.9 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | L198 F199 A276 | L198-T274 WeakPolarHBondContact CA-O 3.18Å; F199-T274 PolarHBondContact N-O 3.44Å; F199-T274 PolarHBondContact O-N 3.46Å; T274-A276 PolarHBondContact O-N 3.31Å |
| 275 | W | 94.6 | Very high | 76.2 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 22% | 0.216 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 136.2 | 163.7 | -65.1 | 113.5 | 0 | 0 | 0 | 109 | K195 L198 A252 D253 | K195-W275 HydrophobicContact CB-CD2 3.74Å; K195-W275 HydrophobicContact CB-CE3 3.5Å; K195-W275 HydrophobicContact CB-CG 4.34Å; K195-W275 HydrophobicContact CB-CH2 4.18Å; K195-W275 HydrophobicContact CB-CZ2 4.4Å; K195-W275 HydrophobicContact CB-CZ3 3.73Å; K195-W275 HydrophobicContact CD-CB 4.27Å; K195-W275 HydrophobicContact CD-CD2 3.97Å; K195-W275 HydrophobicContact CD-CG 3.78Å; K195-W275 HydrophobicContact CG-CD2 4.4Å; K195-W275 WeakPolarHBondContact O-CH2 3.31Å; K195-W275 WeakPolarHBondContact O-CZ3 3.35Å; L198-W275 HydrophobicContact CD2-CD2 4.1Å; L198-W275 HydrophobicContact CD2-CE3 3.47Å; L198-W275 VanDerWaalsContact CD2-CE3 3.47Å; L198-W275 HydrophobicContact CD2-CH2 4.24Å; L198-W275 HydrophobicContact CD2-CZ3 3.57Å; A252-W275 HydrophobicContact CB-CH2 3.79Å; A252-W275 HydrophobicContact CB-CZ3 3.59Å; D253-W275 HydrophobicContact CB-CH2 3.93Å; D253-W275 HydrophobicContact CB-CZ2 3.93Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.46Å |
| 276 | A | 92.2 | Very high | 74.9 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 12% | 0.124 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 145.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | R197 F199 F243 T274 | R197-A276 HydrophobicContact CB-CB 4.05Å; R197-A276 HydrophobicContact CG-CB 3.79Å; R197-A276 WeakPolarHBondContact O-CB 3.45Å; R197-A276 PolarHBondContact O-N 3.25Å; F199-A276 HydrophobicContact CB-CB 4.26Å; F243-A276 HydrophobicContact CD1-CB 3.71Å; F243-A276 HydrophobicContact CE1-CB 4.05Å; T274-A276 PolarHBondContact O-N 3.31Å |
| 277 | D | 85.1 | Confident | 74 | Confident | 140 Ų | 140 | 74.7 Ų | 74.7 | 75% | 0.749 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 141 | 169.8 | -58.3 | -40.9 | 0 | 0 | 0 | 109.4 | K279 | D277-K279 PolarHBondContact O-N 3.24Å; D277-K279 VanDerWaalsContact O-N 3.12Å |
| 278 | P | 73.6 | Confident | 73.3 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 124.7 | 174.2 | -25.3 | 32.7 | 0 | 0 | 0 | 109 | S280 | P278-S280 PolarHBondContact O-N 3.46Š|
| 279 | K | 67.3 | Low | 72.7 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | trans | -67.3 | 102.9 | -179.6 | -156.7 | -178.6 | 179.4 | 162.8 | 0 | 106.6 | E227 D277 S281 | E227-K279 IonicContact OE1-NZ 2.86Å; E227-K279 IonicContact OE2-NZ 3.81Å; E227-K279 PolarHBondContact OE2-NZ 3.44Å; D277-K279 PolarHBondContact O-N 3.24Å; D277-K279 VanDerWaalsContact O-N 3.12Å; K279-S281 PolarHBondContact O-N 2.77Å | ||
| 280 | S | 51.2 | Low | 72.4 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 83% | 0.832 | 43% | 0.43 | S | S | * | . | trans | -70.8 | 51.3 | 160.3 | 82.2 | 0 | 0 | 0 | 0 | 109 | P278 P282 | P278-S280 PolarHBondContact O-N 3.46Å; S280-P282 WeakPolarHBondContact O-CD 3.46Å | ||
| 281 | S | 45.5 | Very low | 72.1 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 11% | 0.112 | 41% | 0.409 | C | S | . | . | trans | -72.1 | 126.4 | 171.3 | -172.2 | 0 | 0 | 0 | 0 | 106.5 | K279 E283 H284 S285 | K279-S281 PolarHBondContact O-N 2.77Å; S281-E283 PolarHBondContact O-N 3.4Å; S281-E283 PolarHBondContact OG-N 3.08Å; S281-H284 PolarHBondContact O-N 3.46Å; S281-S285 PolarHBondContact O-N 3.29Å | ||
| 282 | P | 46.7 | Very low | 72.1 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -0.6 | 174.3 | 27 | -34.4 | 0 | 0 | 0 | 113.3 | S280 A288 | S280-P282 WeakPolarHBondContact O-CD 3.46Å; P282-A288 WeakPolarHBondContact O-CB 2.94Å |
| 283 | E | 47.1 | Very low | 72 | Confident | 142 Ų | 142 | 71.3 Ų | 71.3 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -23.3 | 171 | -72 | 178.7 | 159.7 | 0 | 0 | 114.3 | S281 A288 | S281-E283 PolarHBondContact O-N 3.4Å; S281-E283 PolarHBondContact OG-N 3.08Å; E283-A288 WeakPolarHBondContact O-CB 3.45Å |
| 284 | H | 50.8 | Low | 71.9 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 71% | 0.713 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 0.8 | -175.9 | -66.7 | 76.6 | 0 | 0 | 0 | 113.4 | S281 | S281-H284 PolarHBondContact O-N 3.46Š|
| 285 | S | 59 | Low | 71.7 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -60.1 | 148.7 | 169.3 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | S281 A287 A288 A289 | S281-S285 PolarHBondContact O-N 3.29Å; S285-A287 PolarHBondContact O-N 3.43Å; S285-A287 VanDerWaalsContact O-N 3.07Å; S285-A287 PolarHBondContact OG-N 2.94Å; S285-A288 VanDerWaalsContact O-CA 3.31Å; S285-A288 WeakPolarHBondContact O-CA 3.47Å; S285-A288 WeakPolarHBondContact O-CB 3.5Å; S285-A288 PolarHBondContact O-N 3.12Å; S285-A289 PolarHBondContact O-N 3.23Å |
| 286 | A | 61.5 | Low | 71.6 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -49.3 | -34.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | A288 A289 Q290 | A286-A288 PolarHBondContact O-N 3.26Å; A286-A289 WeakPolarHBondContact O-CB 3.27Å; A286-A289 PolarHBondContact O-N 3.19Å; A286-Q290 WeakPolarHBondContact O-CG 3.18Å; A286-Q290 PolarHBondContact O-N 3.1Å |
| 287 | A | 65.7 | Low | 71.4 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S285 Q290 V291 P368 | S285-A287 PolarHBondContact O-N 3.43Å; S285-A287 VanDerWaalsContact O-N 3.07Å; S285-A287 PolarHBondContact OG-N 2.94Å; A287-Q290 PolarHBondContact O-N 2.98Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.09Å; A287-P368 HydrophobicContact CB-CB 3.77Å; A287-P368 HydrophobicContact CB-CG 4.16Å |
| 288 | A | 68.4 | Low | 71.5 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | P282 E283 S285 A286 Q290 V291 | P282-A288 WeakPolarHBondContact O-CB 2.94Å; E283-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 VanDerWaalsContact O-CA 3.31Å; S285-A288 WeakPolarHBondContact O-CA 3.47Å; S285-A288 WeakPolarHBondContact O-CB 3.5Å; S285-A288 PolarHBondContact O-N 3.12Å; A286-A288 PolarHBondContact O-N 3.26Å; A288-Q290 PolarHBondContact O-N 3.46Å; A288-V291 WeakPolarHBondContact O-CB 3.39Å; A288-V291 PolarHBondContact O-N 2.98Å; A288-V291 VanDerWaalsContact O-N 3.12Å |
| 289 | A | 70.7 | Confident | 72 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -17.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S285 A286 R341 | S285-A289 PolarHBondContact O-N 3.23Å; A286-A289 WeakPolarHBondContact O-CB 3.27Å; A286-A289 PolarHBondContact O-N 3.19Å; A289-R341 WeakPolarHBondContact O-CD 3.32Å; A289-R341 PolarHBondContact O-NE 3.04Å; A289-R341 PolarHBondContact O-NH1 3.01Å |
| 290 | Q | 77.7 | Confident | 72.8 | Confident | 149 Ų | 149 | 59.3 Ų | 59.3 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2 | 175.6 | -66.6 | 177.2 | -2.7 | 0 | 0 | 113.6 | A286 A287 A288 K292 | A286-Q290 WeakPolarHBondContact O-CG 3.18Å; A286-Q290 PolarHBondContact O-N 3.1Å; A287-Q290 PolarHBondContact O-N 2.98Å; A288-Q290 PolarHBondContact O-N 3.46Å; Q290-K292 PolarHBondContact O-N 2.76Å; Q290-K292 VanDerWaalsContact O-N 3.1Å |
| 291 | V | 83.1 | Confident | 74 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | trans | -65 | 116.8 | -178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | A287 A288 A293 L365 A366 P368 | A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.09Å; A288-V291 WeakPolarHBondContact O-CB 3.39Å; A288-V291 PolarHBondContact O-N 2.98Å; A288-V291 VanDerWaalsContact O-N 3.12Å; V291-A293 HydrophobicContact CG1-CB 4.46Å; V291-A293 WeakPolarHBondContact CG1-O 3.37Å; V291-L365 HydrophobicContact CB-CD2 4.45Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.41Å; V291-P368 HydrophobicContact CG2-CB 3.97Å; V291-P368 HydrophobicContact CG2-CG 4.48Å | ||
| 292 | K | 91 | Very high | 75.6 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 45% | 0.452 | 35% | 0.351 | S | S | . | . | trans | -103.7 | 9.6 | 171.7 | -57 | 178 | 178.1 | -171.1 | 0 | 112.8 | Q290 Y338 A339 R341 | Q290-K292 PolarHBondContact O-N 2.76Å; Q290-K292 VanDerWaalsContact O-N 3.1Å; K292-Y338 WeakPolarHBondContact CB-O 3.43Å; K292-Y338 PolarHBondContact O-N 3.47Å; K292-A339 WeakPolarHBondContact CD-O 3.04Å; K292-A339 PolarHBondContact NZ-O 2.88Å; K292-R341 HydrophobicContact CG-CB 4.29Å | ||
| 293 | A | 92.2 | Very high | 77.3 | Confident | 10 Ų | 10 | 63 Ų | 63 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V291 V336 A366 | V291-A293 HydrophobicContact CG1-CB 4.46Å; V291-A293 WeakPolarHBondContact CG1-O 3.37Å; A293-V336 CarbonylContact C-O 3.57Å; A293-V336 VanDerWaalsContact CA-O 3.24Å; A293-V336 WeakPolarHBondContact CA-O 3.42Å; A293-A366 HydrophobicContact CB-CB 3.84Å; A293-A366 VanDerWaalsContact O-CB 3.24Å; A293-A366 WeakPolarHBondContact O-CB 3.13Å; A293-A366 PolarHBondContact O-N 3.14Å |
| 294 | L | 92.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.8 | 171.2 | -58.5 | -179.4 | 0 | 0 | 0 | 110.1 | V296 F312 F335 V336 Y338 A344 A347 V348 V363 V364 | L294-V296 HydrophobicContact CB-CG2 4.23Å; L294-F312 HydrophobicContact CD1-CD1 3.92Å; L294-F312 HydrophobicContact CD1-CE1 3.94Å; L294-F335 CarbonylContact O-C 3.53Å; L294-F335 WeakPolarHBondContact O-CA 3.39Å; L294-V336 HydrophobicContact CB-CB 4.31Å; L294-V336 PolarHBondContact N-O 3.41Å; L294-V336 PolarHBondContact O-N 3.3Å; L294-Y338 HydrophobicContact CD1-CE2 3.66Å; L294-Y338 HydrophobicContact CG-CD2 4.46Å; L294-Y338 HydrophobicContact CG-CE2 4.03Å; L294-A344 HydrophobicContact CD2-CB 4.09Å; L294-A347 HydrophobicContact CD1-CB 3.73Å; L294-V348 HydrophobicContact CD2-CG2 3.46Å; L294-V348 VanDerWaalsContact CD2-CG2 3.46Å; L294-V363 HydrophobicContact CB-CG1 4.36Å; L294-V363 HydrophobicContact CD1-CG1 3.76Å; L294-V363 HydrophobicContact CD2-CG1 4.31Å; L294-V363 HydrophobicContact CG-CG1 4.38Å; L294-V364 CarbonylContact C-O 3.45Å; L294-V364 WeakPolarHBondContact CA-O 3.38Å |
| 295 | Y | 91.3 | Very high | 80.8 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.8 | 160.3 | 176.6 | -106.1 | 0 | 0 | 0 | 108.3 | K297 F333 F335 V364 | Y295-K297 HydrophobicContact CD1-CB 4.42Å; Y295-K297 HydrophobicContact CE1-CB 3.7Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.4Å; Y295-F333 HydrophobicContact CD2-CD2 4.46Å; Y295-F333 HydrophobicContact CE2-CB 3.81Å; Y295-F333 AromaticContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CE2 4.5Å; Y295-F333 AromaticContact CE2-CG 3.94Å; Y295-F333 HydrophobicContact CE2-CG 3.94Å; Y295-F335 HydrophobicContact CD2-CD1 4.24Å; Y295-F335 AromaticContact CD2-CE1 3.63Å; Y295-F335 HydrophobicContact CD2-CE1 3.63Å; Y295-F335 AromaticContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CE2-CE1 4.47Å; Y295-F335 HydrophobicContact CE2-CZ 4.3Å; Y295-F335 HydrophobicContact CG-CE1 4.48Å; Y295-V364 HydrophobicContact CD1-CG2 4.27Å; Y295-V364 PolarHBondContact N-O 3.48Å; Y295-V364 PolarHBondContact O-N 3.45Å |
| 296 | V | 90.8 | Very high | 82.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.5 | -179.1 | -176 | 0 | 0 | 0 | 0 | 107.9 | L294 I299 F312 F333 G334 V336 L361 E362 V363 | L294-V296 HydrophobicContact CB-CG2 4.23Å; V296-I299 HydrophobicContact CB-CD1 4.11Å; V296-I299 HydrophobicContact CB-CG1 4.49Å; V296-I299 HydrophobicContact CG1-CD1 3.92Å; V296-I299 HydrophobicContact CG1-CG1 3.86Å; V296-F312 HydrophobicContact CG1-CE2 4.24Å; V296-F312 HydrophobicContact CG1-CZ 4.11Å; V296-F312 HydrophobicContact CG2-CE1 4.46Å; V296-F312 HydrophobicContact CG2-CE2 3.87Å; V296-F312 HydrophobicContact CG2-CZ 3.67Å; V296-F333 CarbonylContact O-C 3.44Å; V296-F333 WeakPolarHBondContact O-CA 3.24Å; V296-F333 WeakPolarHBondContact O-CB 3.24Å; V296-G334 PolarHBondContact N-O 3.17Å; V296-G334 PolarHBondContact O-N 3.03Å; V296-V336 HydrophobicContact CG2-CG2 3.89Å; V296-L361 HydrophobicContact CG1-CB 4.17Å; V296-L361 HydrophobicContact CG1-CD1 3.93Å; V296-L361 HydrophobicContact CG1-CG 4.46Å; V296-E362 CarbonylContact C-O 3.58Å; V296-E362 WeakPolarHBondContact CA-O 3.19Å; V296-V363 HydrophobicContact CG1-CG2 4.37Å; V296-V363 HydrophobicContact CG2-CG2 4.44Å |
| 297 | K | 88.3 | Confident | 83.5 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 161.4 | -178.2 | 176.6 | 167.1 | 159.8 | -115.2 | 0 | 110.7 | Y295 D332 L361 E362 | Y295-K297 HydrophobicContact CD1-CB 4.42Å; Y295-K297 HydrophobicContact CE1-CB 3.7Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.4Å; K297-D332 CarbonylContact C-O 3.52Å; K297-D332 WeakPolarHBondContact CA-O 3.44Å; K297-L361 WeakPolarHBondContact O-CA 3.48Å; K297-E362 HydrophobicContact CB-CB 4.16Å; K297-E362 WeakPolarHBondContact CD-OE2 3.32Å; K297-E362 PolarHBondContact N-O 2.63Å; K297-E362 IonicContact NZ-OE1 2.74Å; K297-E362 IonicContact NZ-OE2 3.43Å; K297-E362 PolarHBondContact NZ-OE2 3.14Å; K297-E362 PolarHBondContact O-N 3.16Å |
| 298 | N | 86.7 | Confident | 84.6 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 67 | 35.7 | -174 | -158.2 | 41.1 | 0 | 0 | 0 | 113.3 | P300 D332 P360 L361 | N298-P300 WeakPolarHBondContact O-CD 3.35Å; N298-D332 PolarHBondContact N-O 3.09Å; N298-P360 PolarHBondContact ND2-O 2.94Å; N298-L361 VanDerWaalsContact O-CD2 3.3Å; N298-L361 WeakPolarHBondContact O-CD2 3.33Å |
| 299 | I | 86 | Confident | 85.6 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | trans | -73.1 | 128.4 | 177.2 | -54.4 | -179.4 | 0 | 0 | 0 | 109.1 | V296 T303 L308 T323 D332 L361 | V296-I299 HydrophobicContact CB-CD1 4.11Å; V296-I299 HydrophobicContact CB-CG1 4.49Å; V296-I299 HydrophobicContact CG1-CD1 3.92Å; V296-I299 HydrophobicContact CG1-CG1 3.86Å; I299-T303 HydrophobicContact CG2-CG2 4.06Å; I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.4Å; I299-L308 HydrophobicContact CG2-CD1 4.43Å; I299-T323 HydrophobicContact CD1-CG2 4.16Å; I299-D332 PolarHBondContact N-O 3.25Å; I299-L361 HydrophobicContact CG1-CD2 4.26Å | ||
| 300 | P | 82.5 | Confident | 86.5 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | trans | -63.7 | 145 | 174 | -17.3 | 26.3 | 0 | 0 | 0 | 112.1 | N298 N302 T303 V356 Q359 | N298-P300 WeakPolarHBondContact O-CD 3.35Å; P300-N302 PolarHBondContact O-N 3.39Å; P300-N302 VanDerWaalsContact O-N 3.09Å; P300-T303 WeakPolarHBondContact CB-OG1 3.37Å; P300-T303 VanDerWaalsContact CD-OG1 3.31Å; P300-T303 WeakPolarHBondContact CD-OG1 3.38Å; P300-T303 WeakPolarHBondContact CG-OG1 3.25Å; P300-T303 VanDerWaalsContact O-CB 3.32Å; P300-T303 WeakPolarHBondContact O-CB 3.3Å; P300-T303 PolarHBondContact O-N 2.91Å; P300-T303 PolarHBondContact O-OG1 2.83Å; P300-V356 HydrophobicContact CG-CB 4.03Å; P300-V356 HydrophobicContact CG-CG1 4.19Å; P300-V356 WeakPolarHBondContact CG-O 3.49Å; P300-Q359 HydrophobicContact CG-CB 4.3Å | ||
| 301 | E | 77.8 | Confident | 87.1 | Confident | 115 Ų | 115 | 61 Ų | 61 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.8 | -175.5 | -155.8 | 169.1 | -153.6 | 0 | 0 | 113.8 | ||
| 302 | N | 78.1 | Confident | 87.4 | Confident | 146 Ų | 146 | 60.4 Ų | 60.4 | 78% | 0.781 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.9 | 178.1 | -67.9 | -15.3 | 0 | 0 | 0 | 113.8 | P300 S304 | P300-N302 PolarHBondContact O-N 3.39Å; P300-N302 VanDerWaalsContact O-N 3.09Å; N302-S304 PolarHBondContact O-N 2.89Å |
| 303 | T | 82 | Confident | 87.4 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | trans | -77.5 | 124.9 | -177.6 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | I299 P300 Q307 L308 V356 | I299-T303 HydrophobicContact CG2-CG2 4.06Å; P300-T303 WeakPolarHBondContact CB-OG1 3.37Å; P300-T303 VanDerWaalsContact CD-OG1 3.31Å; P300-T303 WeakPolarHBondContact CD-OG1 3.38Å; P300-T303 WeakPolarHBondContact CG-OG1 3.25Å; P300-T303 VanDerWaalsContact O-CB 3.32Å; P300-T303 WeakPolarHBondContact O-CB 3.3Å; P300-T303 PolarHBondContact O-N 2.91Å; P300-T303 PolarHBondContact O-OG1 2.83Å; T303-Q307 HydrophobicContact CG2-CB 4.16Å; T303-L308 HydrophobicContact CG2-CD1 4.44Å; T303-L308 HydrophobicContact CG2-CD2 4.11Å; T303-L308 HydrophobicContact CG2-CG 3.85Å; T303-V356 HydrophobicContact CG2-CG1 3.92Å; T303-V356 VanDerWaalsContact OG1-CG1 3.26Å; T303-V356 WeakPolarHBondContact OG1-CG1 3.21Å | ||
| 304 | S | 85.3 | Confident | 87.3 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | trans | -81.5 | 157.1 | 176.1 | 76.8 | 0 | 0 | 0 | 0 | 111.4 | N302 E306 Q307 L308 | N302-S304 PolarHBondContact O-N 2.89Å; S304-E306 PolarHBondContact O-N 3.24Å; S304-E306 PolarHBondContact OG-N 3.37Å; S304-Q307 VanDerWaalsContact N-OE1 3.12Å; S304-Q307 PolarHBondContact O-N 2.91Å; S304-Q307 WeakPolarHBondContact OG-CG 3.47Å; S304-Q307 PolarHBondContact OG-N 2.89Å; S304-Q307 VanDerWaalsContact OG-N 3.14Å; S304-L308 PolarHBondContact O-N 2.74Å | ||
| 305 | T | 87.1 | Confident | 87.2 | Confident | 69 Ų | 69 | 67 Ų | 67 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -28.3 | 172 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | K309 I321 | T305-K309 WeakPolarHBondContact O-CB 3.23Å; T305-K309 PolarHBondContact O-N 3.39Å; T305-I321 HydrophobicContact CG2-CG2 4.13Å; T305-I321 VanDerWaalsContact O-CD1 3.28Å; T305-I321 WeakPolarHBondContact O-CD1 3.22Å |
| 306 | E | 88.7 | Confident | 87.1 | Confident | 150 Ų | 150 | 64.8 Ų | 64.8 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | 175.8 | -63.6 | 174.1 | 175.6 | 0 | 0 | 111.7 | S304 K309 E310 | S304-E306 PolarHBondContact O-N 3.24Å; S304-E306 PolarHBondContact OG-N 3.37Å; E306-K309 WeakPolarHBondContact O-CB 3.5Å; E306-K309 PolarHBondContact O-N 3.08Å; E306-K309 VanDerWaalsContact O-N 3.16Å; E306-E310 PolarHBondContact O-N 3.14Å |
| 307 | Q | 88 | Confident | 87.2 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.1 | -73.9 | 175.9 | -31.2 | 0 | 0 | 111.7 | T303 S304 K309 E310 L311 | T303-Q307 HydrophobicContact CG2-CB 4.16Å; S304-Q307 VanDerWaalsContact N-OE1 3.12Å; S304-Q307 PolarHBondContact O-N 2.91Å; S304-Q307 WeakPolarHBondContact OG-CG 3.47Å; S304-Q307 PolarHBondContact OG-N 2.89Å; S304-Q307 VanDerWaalsContact OG-N 3.14Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 3.03Å; Q307-E310 PolarHBondContact O-N 2.77Å; Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.48Å; Q307-L311 WeakPolarHBondContact O-CG 3.28Å; Q307-L311 PolarHBondContact O-N 2.82Å |
| 308 | L | 88.7 | Confident | 87.4 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.4 | -69.6 | 170.1 | 0 | 0 | 0 | 110.9 | I299 T303 S304 L311 F312 I321 T323 L361 | I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.4Å; I299-L308 HydrophobicContact CG2-CD1 4.43Å; T303-L308 HydrophobicContact CG2-CD1 4.44Å; T303-L308 HydrophobicContact CG2-CD2 4.11Å; T303-L308 HydrophobicContact CG2-CG 3.85Å; S304-L308 PolarHBondContact O-N 2.74Å; L308-L311 PolarHBondContact O-N 3.48Å; L308-F312 HydrophobicContact CD2-CE2 4.07Å; L308-F312 WeakPolarHBondContact O-CD2 3.47Å; L308-F312 PolarHBondContact O-N 3.26Å; L308-I321 HydrophobicContact CB-CD1 4.11Å; L308-I321 HydrophobicContact CB-CG2 4.49Å; L308-I321 HydrophobicContact CD1-CG2 4.17Å; L308-T323 HydrophobicContact CD1-CG2 3.98Å; L308-L361 HydrophobicContact CD2-CD1 4.28Å |
| 309 | K | 90.4 | Very high | 87.7 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 177.4 | -168 | 178 | 178 | 179.9 | 0 | 111 | T305 E306 Q307 L311 F312 Q313 V318 I321 | T305-K309 WeakPolarHBondContact O-CB 3.23Å; T305-K309 PolarHBondContact O-N 3.39Å; E306-K309 WeakPolarHBondContact O-CB 3.5Å; E306-K309 PolarHBondContact O-N 3.08Å; E306-K309 VanDerWaalsContact O-N 3.16Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 3.03Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.39Å; K309-F312 PolarHBondContact O-N 3.49Å; K309-Q313 WeakPolarHBondContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CB 3.44Å; K309-Q313 PolarHBondContact O-N 3.18Å; K309-V318 HydrophobicContact CG-CB 4.4Å; K309-I321 HydrophobicContact CB-CD1 3.59Å; K309-I321 HydrophobicContact CG-CD1 4.25Å |
| 310 | E | 89.4 | Confident | 87.9 | Confident | 154 Ų | 154 | 73.8 Ų | 73.8 | 72% | 0.72 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | -179.9 | -168.1 | 172.1 | -168.6 | 0 | 0 | 112.2 | E306 Q307 | E306-E310 PolarHBondContact O-N 3.14Å; Q307-E310 PolarHBondContact O-N 2.77Å |
| 311 | L | 89.1 | Confident | 88.4 | Confident | 37 Ų | 37 | 75 Ų | 75 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.9 | -80 | 158.1 | 0 | 0 | 0 | 113.3 | Q307 L308 K309 R314 V356 | Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.48Å; Q307-L311 WeakPolarHBondContact O-CG 3.28Å; Q307-L311 PolarHBondContact O-N 2.82Å; L308-L311 PolarHBondContact O-N 3.48Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.39Å; L311-R314 WeakPolarHBondContact O-CG 3.02Å; L311-R314 PolarHBondContact O-NE 2.78Å; L311-V356 HydrophobicContact CD1-CG2 3.32Å |
| 312 | F | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -91.9 | -21.4 | -173.6 | -74.3 | -67.2 | 0 | 0 | 0 | 113.3 | L294 V296 L308 K309 R314 H315 V318 V336 Y338 Y354 L361 V363 | L294-F312 HydrophobicContact CD1-CD1 3.92Å; L294-F312 HydrophobicContact CD1-CE1 3.94Å; V296-F312 HydrophobicContact CG1-CE2 4.24Å; V296-F312 HydrophobicContact CG1-CZ 4.11Å; V296-F312 HydrophobicContact CG2-CE1 4.46Å; V296-F312 HydrophobicContact CG2-CE2 3.87Å; V296-F312 HydrophobicContact CG2-CZ 3.67Å; L308-F312 HydrophobicContact CD2-CE2 4.07Å; L308-F312 WeakPolarHBondContact O-CD2 3.47Å; L308-F312 PolarHBondContact O-N 3.26Å; K309-F312 PolarHBondContact O-N 3.49Å; F312-R314 PolarHBondContact O-N 2.87Å; F312-R314 VanDerWaalsContact O-N 3.16Å; F312-H315 PolarHBondContact O-N 3.47Å; F312-V318 HydrophobicContact CB-CG2 4.1Å; F312-V336 HydrophobicContact CB-CG1 3.96Å; F312-V336 HydrophobicContact CD2-CG1 4.33Å; F312-V336 HydrophobicContact CD2-CG2 3.8Å; F312-V336 HydrophobicContact CE2-CG2 4.08Å; F312-V336 HydrophobicContact CG-CG1 4.17Å; F312-V336 HydrophobicContact CG-CG2 4.38Å; F312-Y338 WeakPolarHBondContact CB-OH 3.01Å; F312-Y338 WeakPolarHBondContact O-CE1 3.34Å; F312-Y338 PolarHBondContact O-OH 3.31Å; F312-Y354 HydrophobicContact CD1-CE1 4.3Å; F312-Y354 HydrophobicContact CE1-CD1 4.24Å; F312-Y354 HydrophobicContact CE1-CD2 4.17Å; F312-Y354 HydrophobicContact CE1-CE1 4.08Å; F312-Y354 AromaticContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CG 4.28Å; F312-Y354 AromaticContact CE1-CZ 3.94Å; F312-Y354 HydrophobicContact CZ-CG 4.41Å; F312-L361 HydrophobicContact CE2-CD1 4.45Å; F312-L361 HydrophobicContact CZ-CD1 4.43Å; F312-V363 HydrophobicContact CE1-CG1 4.15Å; F312-V363 HydrophobicContact CE1-CG2 3.97Å; F312-V363 HydrophobicContact CZ-CG2 3.79Å |
| 313 | Q | 91.5 | Very high | 89.4 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -19.5 | 179.6 | -175.8 | 168 | -4.3 | 0 | 0 | 112.8 | K309 H315 G316 V318 | K309-Q313 WeakPolarHBondContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CB 3.44Å; K309-Q313 PolarHBondContact O-N 3.18Å; Q313-H315 PolarHBondContact O-N 2.83Å; Q313-G316 CarbonylContact C-O 3.53Å; Q313-G316 WeakPolarHBondContact CA-O 2.83Å; Q313-G316 PolarHBondContact O-N 2.94Å; Q313-G316 VanDerWaalsContact O-O 3.06Å; Q313-V318 HydrophobicContact CB-CG2 4.35Å |
| 314 | R | 89.3 | Confident | 89.4 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.1 | 174 | 80.1 | 176.2 | 99.8 | 169.7 | 2.3 | 113.9 | L311 F312 E352 | L311-R314 WeakPolarHBondContact O-CG 3.02Å; L311-R314 PolarHBondContact O-NE 2.78Å; F312-R314 PolarHBondContact O-N 2.87Å; F312-R314 VanDerWaalsContact O-N 3.16Å; R314-E352 IonicContact NH1-OE2 3.99Å; R314-E352 PolarHBondContact NH1-OE2 3.12Å; R314-E352 VanDerWaalsContact NH1-OE2 3.16Å |
| 315 | H | 89.6 | Confident | 88.7 | Confident | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -10.4 | -179.9 | -58.9 | -71.5 | 0 | 0 | 0 | 113.5 | F312 Q313 Y338 S343 K346 A347 D350 Y354 | F312-H315 PolarHBondContact O-N 3.47Å; Q313-H315 PolarHBondContact O-N 2.83Å; H315-Y338 HydrophobicContact CB-CE1 4.43Å; H315-S343 WeakPolarHBondContact O-CA 3.39Å; H315-S343 VanDerWaalsContact O-CB 3.25Å; H315-S343 WeakPolarHBondContact O-CB 3.34Å; H315-S343 PolarHBondContact O-OG 3.44Å; H315-S343 VanDerWaalsContact O-OG 3.09Å; H315-K346 HydrophobicContact CB-CB 4.28Å; H315-A347 HydrophobicContact CB-CB 4.15Å; H315-D350 IonicContact CE1-OD2 3.16Å; H315-D350 PolarHBondContact CE1-OD2 3.27Å; H315-D350 IonicContact NE2-OD2 3.02Å; H315-D350 PolarHBondContact NE2-OD2 3.22Å; H315-Y354 PolarHBondContact CD2-OH 3.37Å; H315-Y354 PolarHBondContact CE1-OH 3.02Å; H315-Y354 AromaticContact NE2-CE1 3.69Å; H315-Y354 AromaticContact NE2-CZ 3.58Å; H315-Y354 PolarHBondContact NE2-OH 2.83Å |
| 316 | G | 89.8 | Confident | 87.6 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 152.4 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q313 V318 S343 | Q313-G316 CarbonylContact C-O 3.53Å; Q313-G316 WeakPolarHBondContact CA-O 2.83Å; Q313-G316 PolarHBondContact O-N 2.94Å; Q313-G316 VanDerWaalsContact O-O 3.06Å; G316-V318 PolarHBondContact O-N 2.95Å; G316-S343 WeakPolarHBondContact CA-OG 3.21Å |
| 317 | E | 92.9 | Very high | 86.1 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | trans | -71.9 | 116.1 | -176.1 | -172.6 | 179.5 | 170.7 | 0 | 0 | 112.1 | Y338 A339 | E317-Y338 CarbonylContact O-C 3.56Å; E317-Y338 WeakPolarHBondContact O-CA 3.39Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; E317-A339 HydrophobicContact CB-CB 4.14Å; E317-A339 PolarHBondContact O-N 2.96Å | ||
| 318 | V | 93.2 | Very high | 84.8 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 114.3 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | K309 F312 Q313 G316 I321 V336 H337 Y338 | K309-V318 HydrophobicContact CG-CB 4.4Å; F312-V318 HydrophobicContact CB-CG2 4.1Å; Q313-V318 HydrophobicContact CB-CG2 4.35Å; G316-V318 PolarHBondContact O-N 2.95Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.66Å; V318-V336 HydrophobicContact CG1-CG1 3.73Å; V318-V336 HydrophobicContact CG2-CG1 4.08Å; V318-H337 CarbonylContact C-O 3.54Å; V318-H337 WeakPolarHBondContact CA-O 3.3Å; V318-Y338 HydrophobicContact CG2-CD1 4.15Å; V318-Y338 HydrophobicContact CG2-CE1 3.73Å |
| 319 | T | 91.8 | Very high | 83.4 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -34.5 | -177.2 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | H337 A339 | T319-H337 PolarHBondContact N-O 3.14Å; T319-H337 WeakPolarHBondContact OG1-CB 3.43Å; T319-H337 PolarHBondContact OG1-O 3.3Å; T319-A339 HydrophobicContact CG2-CB 3.8Å |
| 320 | K | 91.2 | Very high | 82 | Confident | 123 Ų | 123 | 77.1 Ų | 77.1 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 139.8 | -176.5 | -170.3 | -180 | -176.7 | 176 | 0 | 111.7 | V322 H337 | K320-V322 HydrophobicContact CD-CG2 4.03Å; K320-V322 HydrophobicContact CG-CG2 3.97Å; K320-H337 HydrophobicContact CB-CB 3.93Å; K320-H337 PolarHBondContact N-O 2.58Å; K320-H337 PolarHBondContact O-N 3.21Å |
| 321 | I | 92.3 | Very high | 80.9 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 19% | 0.19 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.8 | 170.7 | -59.4 | 175.2 | 0 | 0 | 0 | 108.2 | T305 L308 K309 V318 F335 V336 | T305-I321 HydrophobicContact CG2-CG2 4.13Å; T305-I321 VanDerWaalsContact O-CD1 3.28Å; T305-I321 WeakPolarHBondContact O-CD1 3.22Å; L308-I321 HydrophobicContact CB-CD1 4.11Å; L308-I321 HydrophobicContact CB-CG2 4.49Å; L308-I321 HydrophobicContact CD1-CG2 4.17Å; K309-I321 HydrophobicContact CB-CD1 3.59Å; K309-I321 HydrophobicContact CG-CD1 4.25Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.66Å; I321-F335 CarbonylContact C-O 3.52Å; I321-F335 WeakPolarHBondContact CA-O 3.43Å; I321-V336 HydrophobicContact CG1-CG1 4.43Å; I321-V336 HydrophobicContact CG1-CG2 4.49Å |
| 322 | V | 89.3 | Confident | 80.5 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 30% | 0.303 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 113.8 | 179.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | K320 P324 G334 F335 | K320-V322 HydrophobicContact CD-CG2 4.03Å; K320-V322 HydrophobicContact CG-CG2 3.97Å; V322-P324 HydrophobicContact CG1-CG 4.31Å; V322-P324 WeakPolarHBondContact O-CD 3.15Å; V322-G334 CarbonylContact O-C 3.51Å; V322-G334 WeakPolarHBondContact O-CA 3.39Å; V322-F335 HydrophobicContact CB-CB 4.36Å; V322-F335 PolarHBondContact N-O 3.48Å; V322-F335 PolarHBondContact O-N 3.38Å |
| 323 | T | 86.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 24% | 0.239 | 43% | 0.432 | C | S | . | . | trans | -111.7 | 95.6 | 171.4 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | I299 L308 | I299-T323 HydrophobicContact CD1-CG2 4.16Å; L308-T323 HydrophobicContact CD1-CG2 3.98Å | ||
| 324 | P | 82.3 | Confident | 80.4 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 142.9 | 179.5 | -21 | 33.9 | 0 | 0 | 0 | 111 | V322 G326 F333 F335 | V322-P324 HydrophobicContact CG1-CG 4.31Å; V322-P324 WeakPolarHBondContact O-CD 3.15Å; P324-G326 PolarHBondContact O-N 3.34Å; P324-F333 HydrophobicContact CB-CE2 4.25Å; P324-F333 HydrophobicContact CB-CZ 4.2Å; P324-F333 HydrophobicContact CG-CD2 4.5Å; P324-F333 HydrophobicContact CG-CE2 3.74Å; P324-F333 HydrophobicContact CG-CZ 4.2Å; P324-F335 HydrophobicContact CG-CD2 4.34Å; P324-F335 HydrophobicContact CG-CE2 4.13Å |
| 325 | P | 71.9 | Confident | 80.6 | Confident | 121 Ų | 121 | 72.1 Ų | 72.1 | 79% | 0.786 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 122.7 | 169.9 | 27 | -31.5 | 0 | 0 | 0 | 109.2 | ||
| 326 | G | 64 | Low | 80.7 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 157 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P324 G328 G329 K330 | P324-G326 PolarHBondContact O-N 3.34Å; G326-G328 PolarHBondContact O-N 3.44Å; G326-G329 PolarHBondContact O-N 3.04Å; G326-G329 VanDerWaalsContact O-N 3.16Å; G326-K330 WeakPolarHBondContact CA-O 3.42Å; G326-K330 PolarHBondContact N-O 3.12Å |
| 327 | K | 55.5 | Low | 80.9 | Confident | 227 Ų | 227 | 72.2 Ų | 72.2 | 99% | 0.987 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 106.8 | 172 | -89.2 | -177.1 | 175.5 | 175.3 | 0 | 109 | ||
| 328 | G | 62.2 | Low | 81 | Confident | 81 Ų | 81 | 66 Ų | 66 | 84% | 0.835 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | 13.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G326 K330 | G326-G328 PolarHBondContact O-N 3.44Å; G328-K330 PolarHBondContact O-N 3.34Å |
| 329 | G | 58.7 | Low | 80.9 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 95 | -20.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G326 R331 | G326-G329 PolarHBondContact O-N 3.04Å; G326-G329 VanDerWaalsContact O-N 3.16Å; G329-R331 PolarHBondContact O-N 3.37Å |
| 330 | K | 59.8 | Low | 80.8 | Confident | 150 Ų | 150 | 68.8 Ų | 68.8 | 65% | 0.652 | 37% | 0.374 | S | S | * | . | trans | -73.4 | 125.5 | 178.2 | -67.6 | -174.8 | 177 | -171.9 | 0 | 111.1 | G326 G328 | G326-K330 WeakPolarHBondContact CA-O 3.42Å; G326-K330 PolarHBondContact N-O 3.12Å; G328-K330 PolarHBondContact O-N 3.34Å | ||
| 331 | R | 67.4 | Low | 80.8 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | trans | -98.2 | 79.9 | 173.5 | -59.3 | -179 | -140.4 | -145.2 | 3.9 | 109.1 | G329 | G329-R331 PolarHBondContact O-N 3.37Š| ||
| 332 | D | 80 | Confident | 80.7 | Confident | 80 Ų | 80 | 68 Ų | 68 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | trans | -96.1 | -5.7 | -172.7 | 55.8 | -26.1 | 0 | 0 | 0 | 113.8 | K297 N298 I299 | K297-D332 CarbonylContact C-O 3.52Å; K297-D332 WeakPolarHBondContact CA-O 3.44Å; N298-D332 PolarHBondContact N-O 3.09Å; I299-D332 PolarHBondContact N-O 3.25Å | ||
| 333 | F | 89.5 | Confident | 80.8 | Confident | 51 Ų | 51 | 66 Ų | 66 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 163.8 | 177.5 | 70.9 | -84 | 0 | 0 | 0 | 113.7 | Y295 V296 P324 F335 | Y295-F333 HydrophobicContact CD2-CD2 4.46Å; Y295-F333 HydrophobicContact CE2-CB 3.81Å; Y295-F333 AromaticContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CE2 4.5Å; Y295-F333 AromaticContact CE2-CG 3.94Å; Y295-F333 HydrophobicContact CE2-CG 3.94Å; V296-F333 CarbonylContact O-C 3.44Å; V296-F333 WeakPolarHBondContact O-CA 3.24Å; V296-F333 WeakPolarHBondContact O-CB 3.24Å; P324-F333 HydrophobicContact CB-CE2 4.25Å; P324-F333 HydrophobicContact CB-CZ 4.2Å; P324-F333 HydrophobicContact CG-CD2 4.5Å; P324-F333 HydrophobicContact CG-CE2 3.74Å; P324-F333 HydrophobicContact CG-CZ 4.2Å; F333-F335 HydrophobicContact CD2-CE2 4.08Å; F333-F335 HydrophobicContact CD2-CZ 4.47Å; F333-F335 AromaticContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CZ 4.38Å |
| 334 | G | 90.7 | Very high | 81 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 175.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V296 V322 | V296-G334 PolarHBondContact N-O 3.17Å; V296-G334 PolarHBondContact O-N 3.03Å; V322-G334 CarbonylContact O-C 3.51Å; V322-G334 WeakPolarHBondContact O-CA 3.39Å |
| 335 | F | 93 | Very high | 81.3 | Confident | 40 Ų | 40 | 66 Ų | 66 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.1 | 179.1 | -59.8 | -88 | 0 | 0 | 0 | 109.9 | L294 Y295 I321 V322 P324 F333 A366 | L294-F335 CarbonylContact O-C 3.53Å; L294-F335 WeakPolarHBondContact O-CA 3.39Å; Y295-F335 HydrophobicContact CD2-CD1 4.24Å; Y295-F335 AromaticContact CD2-CE1 3.63Å; Y295-F335 HydrophobicContact CD2-CE1 3.63Å; Y295-F335 AromaticContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CE2-CE1 4.47Å; Y295-F335 HydrophobicContact CE2-CZ 4.3Å; Y295-F335 HydrophobicContact CG-CE1 4.48Å; I321-F335 CarbonylContact C-O 3.52Å; I321-F335 WeakPolarHBondContact CA-O 3.43Å; V322-F335 HydrophobicContact CB-CB 4.36Å; V322-F335 PolarHBondContact N-O 3.48Å; V322-F335 PolarHBondContact O-N 3.38Å; P324-F335 HydrophobicContact CG-CD2 4.34Å; P324-F335 HydrophobicContact CG-CE2 4.13Å; F333-F335 HydrophobicContact CD2-CE2 4.08Å; F333-F335 HydrophobicContact CD2-CZ 4.47Å; F333-F335 AromaticContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CZ 4.38Å; F335-A366 HydrophobicContact CD1-CB 4.13Å; F335-A366 HydrophobicContact CE1-CB 4.4Å |
| 336 | V | 93.2 | Very high | 82.2 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | A293 L294 V296 F312 V318 I321 Y338 | A293-V336 CarbonylContact C-O 3.57Å; A293-V336 VanDerWaalsContact CA-O 3.24Å; A293-V336 WeakPolarHBondContact CA-O 3.42Å; L294-V336 HydrophobicContact CB-CB 4.31Å; L294-V336 PolarHBondContact N-O 3.41Å; L294-V336 PolarHBondContact O-N 3.3Å; V296-V336 HydrophobicContact CG2-CG2 3.89Å; F312-V336 HydrophobicContact CB-CG1 3.96Å; F312-V336 HydrophobicContact CD2-CG1 4.33Å; F312-V336 HydrophobicContact CD2-CG2 3.8Å; F312-V336 HydrophobicContact CE2-CG2 4.08Å; F312-V336 HydrophobicContact CG-CG1 4.17Å; F312-V336 HydrophobicContact CG-CG2 4.38Å; V318-V336 HydrophobicContact CG1-CG1 3.73Å; V318-V336 HydrophobicContact CG2-CG1 4.08Å; I321-V336 HydrophobicContact CG1-CG1 4.43Å; I321-V336 HydrophobicContact CG1-CG2 4.49Å; V336-Y338 HydrophobicContact CG1-CE2 4.48Å |
| 337 | H | 93.1 | Very high | 83.4 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.4 | 179.6 | -63.1 | -113.5 | 0 | 0 | 0 | 109.9 | V318 T319 K320 | V318-H337 CarbonylContact C-O 3.54Å; V318-H337 WeakPolarHBondContact CA-O 3.3Å; T319-H337 PolarHBondContact N-O 3.14Å; T319-H337 WeakPolarHBondContact OG1-CB 3.43Å; T319-H337 PolarHBondContact OG1-O 3.3Å; K320-H337 HydrophobicContact CB-CB 3.93Å; K320-H337 PolarHBondContact N-O 2.58Å; K320-H337 PolarHBondContact O-N 3.21Å |
| 338 | Y | 94.4 | Very high | 85 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 157.3 | 170.5 | -74.9 | -78.9 | 0 | 0 | 0 | 111.5 | K292 L294 F312 H315 E317 V318 V336 E340 A344 A347 | K292-Y338 WeakPolarHBondContact CB-O 3.43Å; K292-Y338 PolarHBondContact O-N 3.47Å; L294-Y338 HydrophobicContact CD1-CE2 3.66Å; L294-Y338 HydrophobicContact CG-CD2 4.46Å; L294-Y338 HydrophobicContact CG-CE2 4.03Å; F312-Y338 WeakPolarHBondContact CB-OH 3.01Å; F312-Y338 WeakPolarHBondContact O-CE1 3.34Å; F312-Y338 PolarHBondContact O-OH 3.31Å; H315-Y338 HydrophobicContact CB-CE1 4.43Å; E317-Y338 CarbonylContact O-C 3.56Å; E317-Y338 WeakPolarHBondContact O-CA 3.39Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; V318-Y338 HydrophobicContact CG2-CD1 4.15Å; V318-Y338 HydrophobicContact CG2-CE1 3.73Å; V336-Y338 HydrophobicContact CG1-CE2 4.48Å; Y338-E340 VanDerWaalsContact C-N 3.29Å; Y338-E340 VanDerWaalsContact CB-O 3.23Å; Y338-E340 WeakPolarHBondContact CB-O 3.48Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.44Å; Y338-A347 HydrophobicContact CE2-CB 4.24Å |
| 339 | A | 91.2 | Very high | 86 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -64.9 | -37.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K292 E317 T319 | K292-A339 WeakPolarHBondContact CD-O 3.04Å; K292-A339 PolarHBondContact NZ-O 2.88Å; E317-A339 HydrophobicContact CB-CB 4.14Å; E317-A339 PolarHBondContact O-N 2.96Å; T319-A339 HydrophobicContact CG2-CB 3.8Å |
| 340 | E | 90.6 | Very high | 87 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 55% | 0.547 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -120.5 | 146.3 | -176.8 | -62.7 | -174.3 | -173.1 | 0 | 0 | 112.5 | Y338 S342 S343 | Y338-E340 VanDerWaalsContact C-N 3.29Å; Y338-E340 VanDerWaalsContact CB-O 3.23Å; Y338-E340 WeakPolarHBondContact CB-O 3.48Å; E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 WeakPolarHBondContact CB-OG 3.18Å; E340-S342 PolarHBondContact OE2-OG 2.85Å; E340-S343 PolarHBondContact O-N 3.39Å |
| 341 | R | 90.2 | Very high | 87.1 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 172.8 | 179.8 | 174.2 | -178.1 | -134.5 | 2.3 | 112.1 | A289 K292 S343 A344 L345 | A289-R341 WeakPolarHBondContact O-CD 3.32Å; A289-R341 PolarHBondContact O-NE 3.04Å; A289-R341 PolarHBondContact O-NH1 3.01Å; K292-R341 HydrophobicContact CG-CB 4.29Å; R341-S343 PolarHBondContact O-N 2.96Å; R341-A344 WeakPolarHBondContact O-CB 3.47Å; R341-A344 PolarHBondContact O-N 2.87Å; R341-A344 VanDerWaalsContact O-N 3.09Å; R341-L345 HydrophobicContact CG-CD1 4.16Å; R341-L345 HydrophobicContact CG-CG 4.26Å; R341-L345 PolarHBondContact O-N 2.86Å |
| 342 | S | 90.4 | Very high | 87.1 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.7 | -43 | 177.2 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | E340 L345 K346 | E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 WeakPolarHBondContact CB-OG 3.18Å; E340-S342 PolarHBondContact OE2-OG 2.85Å; S342-L345 PolarHBondContact O-N 3.18Å; S342-K346 WeakPolarHBondContact O-CG 3.5Å; S342-K346 PolarHBondContact O-N 2.96Å |
| 343 | S | 93.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 113 | H315 G316 E340 R341 K346 A347 | H315-S343 WeakPolarHBondContact O-CA 3.39Å; H315-S343 VanDerWaalsContact O-CB 3.25Å; H315-S343 WeakPolarHBondContact O-CB 3.34Å; H315-S343 PolarHBondContact O-OG 3.44Å; H315-S343 VanDerWaalsContact O-OG 3.09Å; G316-S343 WeakPolarHBondContact CA-OG 3.21Å; E340-S343 PolarHBondContact O-N 3.39Å; R341-S343 PolarHBondContact O-N 2.96Å; S343-K346 PolarHBondContact O-N 3Å; S343-A347 PolarHBondContact O-N 3.03Å |
| 344 | A | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L294 Y338 R341 A347 V348 L365 | L294-A344 HydrophobicContact CD2-CB 4.09Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.44Å; R341-A344 WeakPolarHBondContact O-CB 3.47Å; R341-A344 PolarHBondContact O-N 2.87Å; R341-A344 VanDerWaalsContact O-N 3.09Å; A344-A347 PolarHBondContact O-N 2.77Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.49Å; A344-V348 VanDerWaalsContact O-N 3.12Å; A344-L365 HydrophobicContact CB-CD2 4.24Å |
| 345 | L | 88.8 | Confident | 86.5 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.8 | -69.2 | 173.6 | 0 | 0 | 0 | 112.2 | R341 S342 A347 V348 K349 L365 | R341-L345 HydrophobicContact CG-CD1 4.16Å; R341-L345 HydrophobicContact CG-CG 4.26Å; R341-L345 PolarHBondContact O-N 2.86Å; S342-L345 PolarHBondContact O-N 3.18Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.76Å; L345-V348 PolarHBondContact O-N 3.16Å; L345-K349 VanDerWaalsContact O-CB 3.28Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 2.78Å; L345-L365 HydrophobicContact CD2-CD1 4.12Å |
| 346 | K | 90.1 | Very high | 86 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.5 | -43.2 | 174.6 | -76.8 | 173.8 | -177.2 | 177 | 0 | 111.5 | H315 S342 S343 D350 | H315-K346 HydrophobicContact CB-CB 4.28Å; S342-K346 WeakPolarHBondContact O-CG 3.5Å; S342-K346 PolarHBondContact O-N 2.96Å; S343-K346 PolarHBondContact O-N 3Å; K346-D350 PolarHBondContact O-N 2.65Å |
| 347 | A | 89.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 74 Ų | 74 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.9 | -33.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L294 H315 Y338 S343 A344 L345 Y354 | L294-A347 HydrophobicContact CD1-CB 3.73Å; H315-A347 HydrophobicContact CB-CB 4.15Å; Y338-A347 HydrophobicContact CE2-CB 4.24Å; S343-A347 PolarHBondContact O-N 3.03Å; A344-A347 PolarHBondContact O-N 2.77Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.76Å; A347-Y354 VanDerWaalsContact CA-OH 3.3Å; A347-Y354 WeakPolarHBondContact CA-OH 3.28Å; A347-Y354 WeakPolarHBondContact O-CE2 3.49Å; A347-Y354 PolarHBondContact O-OH 2.83Å; A347-Y354 VanDerWaalsContact O-OH 3.07Å |
| 348 | V | 88.5 | Confident | 84.7 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.6 | -35.9 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 112 | L294 A344 L345 D350 V363 L365 | L294-V348 HydrophobicContact CD2-CG2 3.46Å; L294-V348 VanDerWaalsContact CD2-CG2 3.46Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.49Å; A344-V348 VanDerWaalsContact O-N 3.12Å; L345-V348 PolarHBondContact O-N 3.16Å; V348-D350 VanDerWaalsContact C-N 3.25Å; V348-V363 HydrophobicContact CG2-CG1 4.39Å; V348-L365 HydrophobicContact CG2-CG 4.3Å |
| 349 | K | 84.6 | Confident | 84.1 | Confident | 183 Ų | 183 | 78.4 Ų | 78.4 | 80% | 0.796 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -79.1 | -11.9 | 179.6 | -164.1 | 172.7 | -178.3 | 180 | 0 | 112.5 | L345 T351 | L345-K349 VanDerWaalsContact O-CB 3.28Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 2.78Å; K349-T351 PolarHBondContact O-N 3.07Å |
| 350 | D | 79.6 | Confident | 83.9 | Confident | 46 Ų | 46 | 79.4 Ų | 79.4 | 25% | 0.246 | 40% | 0.402 | C | S | . | . | trans | -59.1 | 126.6 | 178.2 | -161.6 | -1.7 | 0 | 0 | 0 | 109.9 | H315 K346 V348 E352 | H315-D350 IonicContact CE1-OD2 3.16Å; H315-D350 PolarHBondContact CE1-OD2 3.27Å; H315-D350 IonicContact NE2-OD2 3.02Å; H315-D350 PolarHBondContact NE2-OD2 3.22Å; K346-D350 PolarHBondContact O-N 2.65Å; V348-D350 VanDerWaalsContact C-N 3.25Å; D350-E352 PolarHBondContact OD1-N 2.67Å | ||
| 351 | T | 61.8 | Low | 83.8 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 85% | 0.853 | 38% | 0.38 | S | S | * | . | trans | -77.6 | -16.1 | 178.8 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | K349 R353 | K349-T351 PolarHBondContact O-N 3.07Å; T351-R353 PolarHBondContact O-N 3.47Å | ||
| 352 | E | 67 | Low | 83.6 | Confident | 121 Ų | 121 | 74.4 Ų | 74.4 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -72.7 | 123.5 | 172.9 | -72.7 | -169.1 | 168.2 | 0 | 0 | 111.1 | R314 D350 Y354 | R314-E352 IonicContact NH1-OE2 3.99Å; R314-E352 PolarHBondContact NH1-OE2 3.12Å; R314-E352 VanDerWaalsContact NH1-OE2 3.16Å; D350-E352 PolarHBondContact OD1-N 2.67Å; E352-Y354 PolarHBondContact O-N 3.47Å |
| 353 | R | 79.1 | Confident | 83.6 | Confident | 201 Ų | 201 | 73.4 Ų | 73.4 | 76% | 0.758 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 119.4 | 170.1 | -68.2 | -174.9 | 178.6 | -152.5 | -1.6 | 108.5 | T351 E355 | T351-R353 PolarHBondContact O-N 3.47Å; R353-E355 PolarHBondContact O-N 3.24Å |
| 354 | Y | 84.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 125 | 168.7 | -59 | -79.9 | 0 | 0 | 0 | 109.1 | F312 H315 A347 E352 P360 L361 V363 | F312-Y354 HydrophobicContact CD1-CE1 4.3Å; F312-Y354 HydrophobicContact CE1-CD1 4.24Å; F312-Y354 HydrophobicContact CE1-CD2 4.17Å; F312-Y354 HydrophobicContact CE1-CE1 4.08Å; F312-Y354 AromaticContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CG 4.28Å; F312-Y354 AromaticContact CE1-CZ 3.94Å; F312-Y354 HydrophobicContact CZ-CG 4.41Å; H315-Y354 PolarHBondContact CD2-OH 3.37Å; H315-Y354 PolarHBondContact CE1-OH 3.02Å; H315-Y354 AromaticContact NE2-CE1 3.69Å; H315-Y354 AromaticContact NE2-CZ 3.58Å; H315-Y354 PolarHBondContact NE2-OH 2.83Å; A347-Y354 VanDerWaalsContact CA-OH 3.3Å; A347-Y354 WeakPolarHBondContact CA-OH 3.28Å; A347-Y354 WeakPolarHBondContact O-CE2 3.49Å; A347-Y354 PolarHBondContact O-OH 2.83Å; A347-Y354 VanDerWaalsContact O-OH 3.07Å; E352-Y354 PolarHBondContact O-N 3.47Å; Y354-P360 CarbonylContact O-C 3.55Å; Y354-P360 WeakPolarHBondContact O-CA 3.5Å; Y354-L361 PolarHBondContact O-N 3.16Å; Y354-V363 HydrophobicContact CD2-CB 4.3Å; Y354-V363 HydrophobicContact CD2-CG2 3.52Å; Y354-V363 HydrophobicContact CE2-CB 4.38Å; Y354-V363 HydrophobicContact CE2-CG2 3.98Å; Y354-V363 HydrophobicContact CG-CG2 4.36Å |
| 355 | E | 84.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 78.9 Ų | 78.9 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.1 | 177.1 | -66.8 | -171.4 | 168.7 | 0 | 0 | 110.2 | R353 Q359 P360 | R353-E355 PolarHBondContact O-N 3.24Å; E355-Q359 WeakPolarHBondContact CA-O 3.47Å; E355-P360 HydrophobicContact CG-CB 4.26Å |
| 356 | V | 81.8 | Confident | 83.5 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.8 | 175.1 | -171 | 0 | 0 | 0 | 0 | 108.3 | P300 T303 L311 G358 Q359 L361 | P300-V356 HydrophobicContact CG-CB 4.03Å; P300-V356 HydrophobicContact CG-CG1 4.19Å; P300-V356 WeakPolarHBondContact CG-O 3.49Å; T303-V356 HydrophobicContact CG2-CG1 3.92Å; T303-V356 VanDerWaalsContact OG1-CG1 3.26Å; T303-V356 WeakPolarHBondContact OG1-CG1 3.21Å; L311-V356 HydrophobicContact CD1-CG2 3.32Å; V356-G358 PolarHBondContact O-N 3.21Å; V356-Q359 PolarHBondContact N-O 2.78Å; V356-Q359 PolarHBondContact O-N 3.18Å; V356-L361 HydrophobicContact CG2-CD1 3.68Å; V356-L361 HydrophobicContact CG2-CD2 4.26Å; V356-L361 HydrophobicContact CG2-CG 4.05Å |
| 357 | N | 79.7 | Confident | 83.3 | Confident | 113 Ų | 113 | 77.7 Ų | 77.7 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.6 | -175.1 | -57.3 | -41.1 | 0 | 0 | 0 | 113.5 | Q359 | N357-Q359 VanDerWaalsContact C-N 3.26Å; N357-Q359 PolarHBondContact O-N 3.16Å |
| 358 | G | 78.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 9.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V356 | V356-G358 PolarHBondContact O-N 3.21Š|
| 359 | Q | 81.3 | Confident | 81.7 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 41% | 0.407 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.6 | 170.7 | -62.2 | -164.4 | -58 | 0 | 0 | 110.3 | P300 E355 V356 N357 | P300-Q359 HydrophobicContact CG-CB 4.3Å; E355-Q359 WeakPolarHBondContact CA-O 3.47Å; V356-Q359 PolarHBondContact N-O 2.78Å; V356-Q359 PolarHBondContact O-N 3.18Å; N357-Q359 VanDerWaalsContact C-N 3.26Å; N357-Q359 PolarHBondContact O-N 3.16Å |
| 360 | P | 87.6 | Confident | 80.4 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.4 | 176.3 | 29 | -33.5 | 0 | 0 | 0 | 110.7 | N298 Y354 E355 | N298-P360 PolarHBondContact ND2-O 2.94Å; Y354-P360 CarbonylContact O-C 3.55Å; Y354-P360 WeakPolarHBondContact O-CA 3.5Å; E355-P360 HydrophobicContact CG-CB 4.26Å |
| 361 | L | 88 | Confident | 79.2 | Confident | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.079 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 144.1 | 172.2 | -54.8 | -177.9 | 0 | 0 | 0 | 109.8 | V296 K297 N298 I299 L308 F312 Y354 V356 V363 | V296-L361 HydrophobicContact CG1-CB 4.17Å; V296-L361 HydrophobicContact CG1-CD1 3.93Å; V296-L361 HydrophobicContact CG1-CG 4.46Å; K297-L361 WeakPolarHBondContact O-CA 3.48Å; N298-L361 VanDerWaalsContact O-CD2 3.3Å; N298-L361 WeakPolarHBondContact O-CD2 3.33Å; I299-L361 HydrophobicContact CG1-CD2 4.26Å; L308-L361 HydrophobicContact CD2-CD1 4.28Å; F312-L361 HydrophobicContact CE2-CD1 4.45Å; F312-L361 HydrophobicContact CZ-CD1 4.43Å; Y354-L361 PolarHBondContact O-N 3.16Å; V356-L361 HydrophobicContact CG2-CD1 3.68Å; V356-L361 HydrophobicContact CG2-CD2 4.26Å; V356-L361 HydrophobicContact CG2-CG 4.05Å; L361-V363 HydrophobicContact CB-CG2 4.36Å |
| 362 | E | 87.2 | Confident | 78.3 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.4 | 170.6 | -178.9 | -176.2 | -175.6 | 0 | 0 | 107.9 | V296 K297 V364 | V296-E362 CarbonylContact C-O 3.58Å; V296-E362 WeakPolarHBondContact CA-O 3.19Å; K297-E362 HydrophobicContact CB-CB 4.16Å; K297-E362 WeakPolarHBondContact CD-OE2 3.32Å; K297-E362 PolarHBondContact N-O 2.63Å; K297-E362 IonicContact NZ-OE1 2.74Å; K297-E362 IonicContact NZ-OE2 3.43Å; K297-E362 PolarHBondContact NZ-OE2 3.14Å; K297-E362 PolarHBondContact O-N 3.16Å; E362-V364 HydrophobicContact CG-CG2 4.41Å |
| 363 | V | 90.5 | Very high | 76.9 | Confident | 26 Ų | 26 | 93.3 Ų | 93.3 | 16% | 0.158 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.4 | -174.2 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | L294 V296 F312 V348 Y354 L361 | L294-V363 HydrophobicContact CB-CG1 4.36Å; L294-V363 HydrophobicContact CD1-CG1 3.76Å; L294-V363 HydrophobicContact CD2-CG1 4.31Å; L294-V363 HydrophobicContact CG-CG1 4.38Å; V296-V363 HydrophobicContact CG1-CG2 4.37Å; V296-V363 HydrophobicContact CG2-CG2 4.44Å; F312-V363 HydrophobicContact CE1-CG1 4.15Å; F312-V363 HydrophobicContact CE1-CG2 3.97Å; F312-V363 HydrophobicContact CZ-CG2 3.79Å; V348-V363 HydrophobicContact CG2-CG1 4.39Å; Y354-V363 HydrophobicContact CD2-CB 4.3Å; Y354-V363 HydrophobicContact CD2-CG2 3.52Å; Y354-V363 HydrophobicContact CE2-CB 4.38Å; Y354-V363 HydrophobicContact CE2-CG2 3.98Å; Y354-V363 HydrophobicContact CG-CG2 4.36Å; L361-V363 HydrophobicContact CB-CG2 4.36Å |
| 364 | V | 89.9 | Confident | 75 | Confident | 60 Ų | 60 | 91.8 Ų | 91.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159.7 | -179.4 | -129 | 0 | 0 | 0 | 0 | 109.4 | L294 Y295 E362 A366 | L294-V364 CarbonylContact C-O 3.45Å; L294-V364 WeakPolarHBondContact CA-O 3.38Å; Y295-V364 HydrophobicContact CD1-CG2 4.27Å; Y295-V364 PolarHBondContact N-O 3.48Å; Y295-V364 PolarHBondContact O-N 3.45Å; E362-V364 HydrophobicContact CG-CG2 4.41Å; V364-A366 PolarHBondContact O-N 2.88Å |
| 365 | L | 90.6 | Very high | 72.9 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 135.9 | 170.6 | -83.5 | 163.9 | 0 | 0 | 0 | 110.2 | V291 A344 L345 V348 | V291-L365 HydrophobicContact CB-CD2 4.45Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; A344-L365 HydrophobicContact CB-CD2 4.24Å; L345-L365 HydrophobicContact CD2-CD1 4.12Å; V348-L365 HydrophobicContact CG2-CG 4.3Å |
| 366 | A | 89.3 | Confident | 71.1 | Confident | 8 Ų | 8 | 95.6 Ų | 95.6 | 7% | 0.066 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 149.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V291 A293 F335 V364 | V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.41Å; A293-A366 HydrophobicContact CB-CB 3.84Å; A293-A366 VanDerWaalsContact O-CB 3.24Å; A293-A366 WeakPolarHBondContact O-CB 3.13Å; A293-A366 PolarHBondContact O-N 3.14Å; F335-A366 HydrophobicContact CD1-CB 4.13Å; F335-A366 HydrophobicContact CE1-CB 4.4Å; V364-A366 PolarHBondContact O-N 2.88Å |
| 367 | K | 85.2 | Confident | 69.4 | Low | 172 Ų | 172 | 99.7 Ų | 99.7 | 75% | 0.748 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 137 | 170.3 | -65.6 | -177 | 178.8 | -178.9 | 0 | 109 | Q369 | K367-Q369 PolarHBondContact O-N 3.4Š|
| 368 | P | 76 | Confident | 67.4 | Low | 41 Ų | 41 | 99.9 Ų | 99.9 | 27% | 0.266 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 125 | 175.1 | 20.1 | -28.6 | 0 | 0 | 0 | 108.9 | A287 V291 A370 | A287-P368 HydrophobicContact CB-CB 3.77Å; A287-P368 HydrophobicContact CB-CG 4.16Å; V291-P368 HydrophobicContact CG2-CB 3.97Å; V291-P368 HydrophobicContact CG2-CG 4.48Å; P368-A370 PolarHBondContact O-N 3.19Å |
| 369 | Q | 68.9 | Low | 65.6 | Low | 152 Ų | 152 | 107 Ų | 107 | 71% | 0.71 | 54% | 0.544 | S | S | * | . | trans | -79.1 | 115.5 | 171.2 | -65.9 | -165 | 4.1 | 0 | 0 | 106.4 | K367 E371 | K367-Q369 PolarHBondContact O-N 3.4Å; Q369-E371 PolarHBondContact O-N 3.23Å; Q369-E371 VanDerWaalsContact O-N 3.08Å | ||
| 370 | A | 58.5 | Low | 63.5 | Low | 89 Ų | 89 | 108 Ų | 108 | 74% | 0.736 | 56% | 0.561 | S | S | * | * | trans | -55.9 | 118.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | P368 R372 | P368-A370 PolarHBondContact O-N 3.19Å; A370-R372 PolarHBondContact O-N 2.6Å | ||
| 371 | E | 53 | Low | 61.1 | Low | 178 Ų | 178 | 117.3 Ų | 117.3 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | trans | -54.5 | 107.9 | 172.6 | -70.7 | -173.4 | 166.7 | 0 | 0 | 106.9 | Q369 K373 | Q369-E371 PolarHBondContact O-N 3.23Å; Q369-E371 VanDerWaalsContact O-N 3.08Å; E371-K373 PolarHBondContact O-N 2.72Å | ||
| 372 | R | 43.3 | Very low | 58.8 | Low | 238 Ų | 238 | 119.2 Ų | 119.2 | 90% | 0.898 | 61% | 0.614 | S | S | * | * | trans | -70.9 | 93.6 | 163.7 | -68.3 | -158.6 | -175.5 | -167.2 | 2.3 | 104.7 | A370 H374 | A370-R372 PolarHBondContact O-N 2.6Å; R372-H374 PolarHBondContact O-N 2.99Å | ||
| 373 | K | 38.2 | Very low | 56.5 | Low | 176 Ų | 176 | 119.5 Ų | 119.5 | 77% | 0.765 | 63% | 0.633 | S | S | * | * | trans | -45.6 | 114.7 | 158.8 | -80.3 | -172.9 | 174.8 | -176 | 0 | 105.4 | E371 D375 | E371-K373 PolarHBondContact O-N 2.72Å; K373-D375 PolarHBondContact O-N 2.86Å | ||
| 374 | H | 37.9 | Very low | 54 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.787 | 67% | 0.667 | S | S | * | * | trans | -70.1 | 91.4 | 177.9 | -175.1 | 58.1 | 0 | 0 | 0 | 105.8 | R372 P376 | R372-H374 PolarHBondContact O-N 2.99Å; H374-P376 WeakPolarHBondContact O-CD 3.46Å | ||
| 375 | D | 40.8 | Very low | 51.7 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | trans | -62.2 | 112.5 | 168 | -168.7 | -12.7 | 0 | 0 | 0 | 106.9 | K373 S377 | K373-D375 PolarHBondContact O-N 2.86Å; D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact OD1-CB 3.22Å; D375-S377 WeakPolarHBondContact OD1-CB 3.42Å; D375-S377 PolarHBondContact OD1-N 2.85Å; D375-S377 PolarHBondContact OD1-OG 2.94Å | ||
| 376 | P | 47.5 | Very low | 49.6 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -3.9 | -178.5 | -16.3 | 30.9 | 0 | 0 | 0 | 112.8 | H374 S378 | H374-P376 WeakPolarHBondContact O-CD 3.46Å; P376-S378 PolarHBondContact O-N 2.81Å |
| 377 | S | 46.1 | Very low | 47.2 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.4 | -173.1 | -48.8 | 0 | 0 | 0 | 0 | 115.7 | D375 Y379 | D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact OD1-CB 3.22Å; D375-S377 WeakPolarHBondContact OD1-CB 3.42Å; D375-S377 PolarHBondContact OD1-N 2.85Å; D375-S377 PolarHBondContact OD1-OG 2.94Å; S377-Y379 VanDerWaalsContact C-N 3.34Å; S377-Y379 PolarHBondContact O-N 3.48Å; S377-Y379 VanDerWaalsContact O-N 3.16Å |
| 378 | S | 38.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -93 | 59.1 | -175.3 | -141.1 | 0 | 0 | 0 | 0 | 112.9 | P376 S380 | P376-S378 PolarHBondContact O-N 2.81Å; S378-S380 PolarHBondContact O-N 3.16Å; S378-S380 VanDerWaalsContact O-N 3.16Å | ||
| 379 | Y | 40.2 | Very low | 43.9 | Very low | 211 Ų | 211 | 134.6 Ų | 134.6 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -72.1 | 107.3 | 164.5 | -82.4 | -79.8 | 0 | 0 | 0 | 110.2 | S377 Y381 | S377-Y379 VanDerWaalsContact C-N 3.34Å; S377-Y379 PolarHBondContact O-N 3.48Å; S377-Y379 VanDerWaalsContact O-N 3.16Å; Y379-Y381 PolarHBondContact O-N 3.38Å | ||
| 380 | S | 37.7 | Very low | 42.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -17.7 | 114.4 | 157.6 | -165 | 0 | 0 | 0 | 0 | 114.7 | S378 G382 | S378-S380 PolarHBondContact O-N 3.16Å; S378-S380 VanDerWaalsContact O-N 3.16Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.03Å | ||
| 381 | Y | 37.3 | Very low | 41.9 | Very low | 249 Ų | 249 | 138.6 Ų | 138.6 | 98% | 0.976 | 78% | 0.778 | S | S | * | * | trans | -64 | 88.5 | 162.5 | -105.2 | -96 | 0 | 0 | 0 | 108.9 | Y379 | Y379-Y381 PolarHBondContact O-N 3.38Š| ||
| 382 | G | 38.1 | Very low | 41.3 | Very low | 56 Ų | 56 | 138.8 Ų | 138.8 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | trans | -135 | 116.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S380 | S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.03Å | ||
| 383 | A | 39.1 | Very low | 41.4 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | 67 | 97.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 384 | A | 38 | Very low | 41.6 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -56 | 139 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 385 | P | 42.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -106.9 | 133.1 | 150.2 | 11.6 | 8.9 | 0 | 0 | 0 | 110.5 | ||||
| 386 | T | 45.6 | Very low | 41.8 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 141.7 | 176.1 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 387 | P | 40.1 | Very low | 41.5 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 126.4 | 169.4 | 33.1 | -27.5 | 0 | 0 | 0 | 110.8 | ||
| 388 | A | 51.5 | Low | 41.2 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 141.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 389 | P | 40.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 153.4 | -176.9 | 35.2 | -32.5 | 0 | 0 | 0 | 110 | ||
| 390 | F | 43.6 | Very low | 41.3 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -179.8 | 112.2 | 136.5 | -91.1 | -57.1 | 0 | 0 | 0 | 112.6 | ||||
| 391 | V | 41.8 | Very low | 41.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 48.5 | 107.7 | 139.6 | -73.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 392 | H | 40.8 | Very low | 41.9 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -41.2 | 167.8 | 142.7 | -85.3 | -62.8 | 0 | 0 | 0 | 114.9 | ||||
| 393 | P | 45.4 | Very low | 42 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -162 | 173.5 | 53 | 42.1 | -17 | 0 | 0 | 0 | 122.5 | |||||
| 394 | T | 41.9 | Very low | 42 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 70.1 | 142.5 | 155.6 | 105.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 395 | F | 42.2 | Very low | 42.1 | Very low | 204 Ų | 204 | 127.9 Ų | 127.9 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | cis | -170.3 | 143.2 | 18.9 | -176.5 | -97.8 | 0 | 0 | 0 | 110.9 | ||||
| 396 | G | 41.2 | Very low | 41.8 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 80.7 | 135.7 | 151 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 397 | G | 39.8 | Very low | 41.7 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 174.1 | 138.5 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 398 | F | 40.8 | Very low | 41.5 | Very low | 220 Ų | 220 | 128.6 Ų | 128.6 | 97% | 0.965 | 81% | 0.813 | S | S | * | * | trans | 22.8 | 139.7 | 147.8 | -85.8 | -97.2 | 0 | 0 | 0 | 119.7 | ||||
| 399 | A | 41.3 | Very low | 40.9 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | -177.8 | 154.7 | 53.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 400 | A | 38.2 | Very low | 40.7 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -95.8 | 167.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 401 | A | 40.8 | Very low | 40.4 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -173.4 | 136.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 402 | P | 48 | Very low | 40.1 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -99.5 | 172.1 | 165.3 | 38.2 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 403 | Y | 39.2 | Very low | 40 | Very low | 233 Ų | 233 | 123.6 Ų | 123.6 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | trans | 167.3 | 144.4 | 145.2 | -111.4 | -89.7 | 0 | 0 | 0 | 115.3 | ||||
| 404 | G | 39.1 | Very low | 39.7 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 112.5 | 110.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 405 | A | 39.7 | Very low | 39.6 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | cis | 87.9 | 108.7 | 29 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 406 | M | 37.2 | Very low | 39.4 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 100% | 0.995 | 83% | 0.831 | S | S | * | * | trans | 72.8 | 129.9 | 140.9 | -60.8 | -148.4 | 175.3 | 0 | 0 | 123.5 | ||||
| 407 | G | 42.6 | Very low | 39.6 | Very low | 85 Ų | 85 | 124 Ų | 124 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | trans | -163 | 108.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 408 | A | 37.2 | Very low | 39.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -101.2 | 151.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 409 | G | 38.1 | Very low | 40.2 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -178.4 | 89.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 410 | L | 36.3 | Very low | 40.3 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | 61.6 | 119.7 | 132.8 | -116.8 | 77.1 | 0 | 0 | 0 | 124.9 | ||||
| 411 | G | 36.5 | Very low | 40.7 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 88.3 | 142.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 412 | I | 37 | Very low | 41 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | cis | -161.6 | 136.2 | 21.1 | -61.2 | 179.3 | 0 | 0 | 0 | 108.8 | ||||
| 413 | A | 38.5 | Very low | 40.7 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 26.8 | 130 | 154.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 414 | G | 38.1 | Very low | 41.1 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 146.4 | 115.6 | 143 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 415 | S | 40 | Very low | 41.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 79.1 | 109.9 | 157.9 | -45.6 | 0 | 0 | 0 | 0 | 118.2 | S417 | S415-S417 PolarHBondContact O-N 3.3Š| ||
| 416 | F | 37.9 | Very low | 42.7 | Very low | 216 Ų | 216 | 131.2 Ų | 131.2 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 106.2 | 169 | -80.3 | -102.8 | 0 | 0 | 0 | 110.7 | ||||
| 417 | S | 45.4 | Very low | 43.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -115.5 | 114.8 | 159.3 | 66.4 | 0 | 0 | 0 | 0 | 109 | S415 | S415-S417 PolarHBondContact O-N 3.3Š| ||
| 418 | Q | 45.8 | Very low | 44.7 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -63.4 | 133.8 | 168.8 | -71.3 | -76.5 | -40.9 | 0 | 0 | 108.8 | M420 | Q418-M420 PolarHBondContact O-N 3.29Š| ||
| 419 | P | 47.8 | Very low | 46.1 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -70.7 | 114 | 173.4 | 28.1 | -30.3 | 0 | 0 | 0 | 108.7 | I421 | P419-I421 VanDerWaalsContact C-N 3.33Å; P419-I421 PolarHBondContact O-N 3.39Å | ||
| 420 | M | 43.5 | Very low | 47.7 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -69.5 | 94 | 163.9 | -78.1 | -77.7 | -117 | 0 | 0 | 107.5 | Q418 Y422 | Q418-M420 PolarHBondContact O-N 3.29Å; M420-Y422 HydrophobicContact CB-CD2 4.18Å; M420-Y422 HydrophobicContact CB-CE2 4.3Å; M420-Y422 HydrophobicContact CE-CE2 3.93Å; M420-Y422 PolarHBondContact O-N 3.06Å; M420-Y422 HydrophobicContact SD-CE2 4.15Å | ||
| 421 | I | 46.8 | Very low | 49.5 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -77.8 | 94.9 | 169 | -67.4 | 171.9 | 0 | 0 | 0 | 106.9 | P419 | P419-I421 VanDerWaalsContact C-N 3.33Å; P419-I421 PolarHBondContact O-N 3.39Å | ||
| 422 | Y | 46.1 | Very low | 51.4 | Low | 201 Ų | 201 | 125.4 Ų | 125.4 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | trans | -88.5 | 103.3 | 160.7 | -86 | -97.5 | 0 | 0 | 0 | 107.4 | M420 | M420-Y422 HydrophobicContact CB-CD2 4.18Å; M420-Y422 HydrophobicContact CB-CE2 4.3Å; M420-Y422 HydrophobicContact CE-CE2 3.93Å; M420-Y422 PolarHBondContact O-N 3.06Å; M420-Y422 HydrophobicContact SD-CE2 4.15Å | ||
| 423 | G | 41.7 | Very low | 53.5 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 178.9 | 137.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G425 | G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.42Å |
| 424 | R | 48.5 | Very low | 55.5 | Low | 270 Ų | 270 | 118.7 Ų | 118.7 | 100% | 1.019 | 68% | 0.675 | S | S | * | * | trans | -56.8 | 85.8 | 171.2 | -83.4 | -167.1 | 180 | -96.8 | 6.9 | 110.1 | ||||
| 425 | G | 52.8 | Low | 57.8 | Low | 58 Ų | 58 | 119.3 Ų | 119.3 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | trans | -124.9 | 143.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G423 M427 | G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.42Å; G425-M427 PolarHBondContact O-N 2.91Å | ||
| 426 | A | 58.7 | Low | 59.8 | Low | 105 Ų | 105 | 118.6 Ų | 118.6 | 87% | 0.868 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 125.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 427 | M | 59.3 | Low | 62.1 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.9 | -179.3 | -61.5 | -168.8 | -162.1 | 0 | 0 | 110.2 | G425 T429 M433 | G425-M427 PolarHBondContact O-N 2.91Å; M427-T429 PolarHBondContact O-N 3.36Å; M427-M433 HydrophobicContact CE-CG 4.25Å; M427-M433 HydrophobicContact SD-CG 4.34Å |
| 428 | P | 62.4 | Low | 64 | Low | 74 Ų | 74 | 112.7 Ų | 112.7 | 48% | 0.481 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 129.7 | 171.8 | -20.4 | 30.5 | 0 | 0 | 0 | 110.3 | G430 M431 | P428-G430 PolarHBondContact O-N 2.88Å; P428-G430 VanDerWaalsContact O-N 3.14Å; P428-M431 HydrophobicContact CB-CG 4.49Å; P428-M431 HydrophobicContact CB-SD 4.26Å; P428-M431 HydrophobicContact CG-SD 4.18Å; P428-M431 PolarHBondContact O-N 3.16Å |
| 429 | T | 67 | Low | 65.5 | Low | 154 Ų | 154 | 111.6 Ų | 111.6 | 95% | 0.945 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 120.2 | -177.9 | -39.2 | 0 | 0 | 0 | 0 | 110.8 | M427 | M427-T429 PolarHBondContact O-N 3.36Š|
| 430 | G | 72 | Confident | 67.4 | Low | 48 Ų | 48 | 111.1 Ų | 111.1 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 107.9 | -19.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | P428 P450 | P428-G430 PolarHBondContact O-N 2.88Å; P428-G430 VanDerWaalsContact O-N 3.14Å; G430-P450 WeakPolarHBondContact O-CD 3.26Å; G430-P450 WeakPolarHBondContact O-CG 3.41Å |
| 431 | M | 74.6 | Confident | 69.3 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 32% | 0.315 | 61% | 0.612 | S | S | . | * | trans | -81.8 | 136 | 178.6 | -55.2 | -175.1 | 172.6 | 0 | 0 | 111.8 | P428 L447 Q448 Q449 | P428-M431 HydrophobicContact CB-CG 4.49Å; P428-M431 HydrophobicContact CB-SD 4.26Å; P428-M431 HydrophobicContact CG-SD 4.18Å; P428-M431 PolarHBondContact O-N 3.16Å; M431-L447 HydrophobicContact CB-CD1 4.34Å; M431-L447 HydrophobicContact CB-CD2 3.94Å; M431-L447 HydrophobicContact CB-CG 3.73Å; M431-L447 HydrophobicContact CG-CD2 4.3Å; M431-L447 HydrophobicContact CG-CG 4.49Å; M431-L447 HydrophobicContact SD-CD2 3.32Å; M431-L447 WeakPolarHBondContact SD-CD2 3.34Å; M431-L447 HydrophobicContact SD-CG 4Å; M431-Q448 WeakPolarHBondContact CA-O 3.31Å; M431-Q449 HydrophobicContact CE-CG 4.09Å; M431-Q449 HydrophobicContact CG-CG 4.43Å | ||
| 432 | Q | 75.8 | Confident | 71.1 | Confident | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.6 | 178.3 | -175.5 | 174.1 | -17.6 | 0 | 0 | 110.4 | Q448 | Q432-Q448 PolarHBondContact N-O 3.43Å; Q432-Q448 PolarHBondContact O-N 3.29Å |
| 433 | M | 81.2 | Confident | 72.9 | Confident | 80 Ų | 80 | 103 Ų | 103 | 39% | 0.394 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.5 | 170.2 | -73.2 | -75.6 | -91.8 | 0 | 0 | 109.9 | M427 Y445 L447 | M427-M433 HydrophobicContact CE-CG 4.25Å; M427-M433 HydrophobicContact SD-CG 4.34Å; M433-Y445 HydrophobicContact CB-CD1 4.48Å; M433-Y445 HydrophobicContact CE-CG 4Å; M433-L447 HydrophobicContact CG-CD1 3.67Å; M433-L447 HydrophobicContact SD-CB 4.49Å; M433-L447 HydrophobicContact SD-CD1 3.35Å; M433-L447 WeakPolarHBondContact SD-CD1 3.39Å |
| 434 | V | 80.3 | Confident | 74.8 | Confident | 49 Ų | 49 | 101.2 Ų | 101.2 | 30% | 0.297 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.9 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | Y445 V446 Q448 | V434-Y445 WeakPolarHBondContact O-CA 3.41Å; V434-V446 PolarHBondContact N-O 3.22Å; V434-V446 PolarHBondContact O-N 3.21Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å |
| 435 | P | 85.5 | Confident | 76.5 | Confident | 82 Ų | 82 | 95 Ų | 95 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.5 | 176.5 | 28.7 | -33.5 | 0 | 0 | 0 | 111.1 | V443 G444 Y445 | P435-V443 HydrophobicContact CB-CG1 3.67Å; P435-G444 CarbonylContact C-O 3.52Å; P435-G444 WeakPolarHBondContact CA-O 3.32Å; P435-Y445 HydrophobicContact CB-CD1 4.21Å; P435-Y445 HydrophobicContact CB-CE1 3.97Å |
| 436 | M | 83.7 | Confident | 78 | Confident | 105 Ų | 105 | 95.5 Ų | 95.5 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.5 | 176.4 | -171.8 | -173.8 | -45.9 | 0 | 0 | 109.2 | V443 G444 V446 | M436-V443 CarbonylContact O-C 3.53Å; M436-V443 WeakPolarHBondContact O-CA 3.37Å; M436-G444 PolarHBondContact N-O 2.74Å; M436-G444 PolarHBondContact O-N 3.21Å; M436-V446 HydrophobicContact CE-CB 4.12Å; M436-V446 HydrophobicContact CE-CG2 3.51Å |
| 437 | L | 84.6 | Confident | 79 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.7 | 174.6 | -153.3 | 76.8 | 0 | 0 | 0 | 109 | V443 | L437-V443 HydrophobicContact CD1-CG2 4.1Å |
| 438 | L | 86.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | trans | -74.7 | 159.2 | 172.8 | -80.9 | 87.5 | 0 | 0 | 0 | 110.4 | D440 G441 R442 G444 | L438-D440 WeakPolarHBondContact CB-OD1 3.39Å; L438-D440 PolarHBondContact O-N 2.79Å; L438-D440 VanDerWaalsContact O-N 3.1Å; L438-G441 PolarHBondContact O-N 2.76Å; L438-R442 PolarHBondContact N-O 2.94Å; L438-G444 VanDerWaalsContact CD1-CA 3.43Å | ||
| 439 | P | 77.6 | Confident | 79.9 | Confident | 144 Ų | 144 | 93.7 Ų | 93.7 | 94% | 0.935 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.2 | 177.4 | -26 | 35.3 | 0 | 0 | 0 | 115.1 | G441 | P439-G441 VanDerWaalsContact C-N 3.31Š|
| 440 | D | 88 | Confident | 79.8 | Confident | 91 Ų | 91 | 91.2 Ų | 91.2 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.6 | 176.8 | 67.6 | -7.1 | 0 | 0 | 0 | 113.6 | L438 R442 | L438-D440 WeakPolarHBondContact CB-OD1 3.39Å; L438-D440 PolarHBondContact O-N 2.79Å; L438-D440 VanDerWaalsContact O-N 3.1Å; D440-R442 VanDerWaalsContact C-N 3.34Å; D440-R442 WeakPolarHBondContact OD1-CB 3.19Å; D440-R442 PolarHBondContact OD1-N 2.8Å; D440-R442 VanDerWaalsContact OD2-CD 3.22Å; D440-R442 WeakPolarHBondContact OD2-CD 3.48Å; D440-R442 WeakPolarHBondContact OD2-CG 3.3Å; D440-R442 IonicContact OD2-NE 3.1Å |
| 441 | G | 81.6 | Confident | 79.5 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 85.2 | -2.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L438 P439 | L438-G441 PolarHBondContact O-N 2.76Å; P439-G441 VanDerWaalsContact C-N 3.31Å |
| 442 | R | 85.4 | Confident | 78.7 | Confident | 185 Ų | 185 | 96.4 Ų | 96.4 | 70% | 0.698 | 53% | 0.532 | S | S | * | . | trans | -75.8 | 150.9 | 175.5 | -61.9 | -177.7 | -175.3 | 175.6 | 0.3 | 110.7 | L438 D440 | L438-R442 PolarHBondContact N-O 2.94Å; D440-R442 VanDerWaalsContact C-N 3.34Å; D440-R442 WeakPolarHBondContact OD1-CB 3.19Å; D440-R442 PolarHBondContact OD1-N 2.8Å; D440-R442 VanDerWaalsContact OD2-CD 3.22Å; D440-R442 WeakPolarHBondContact OD2-CD 3.48Å; D440-R442 WeakPolarHBondContact OD2-CG 3.3Å; D440-R442 IonicContact OD2-NE 3.1Å | ||
| 443 | V | 84.7 | Confident | 77.8 | Confident | 82 Ų | 82 | 95.5 Ų | 95.5 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 111.6 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | P435 M436 L437 Y445 | P435-V443 HydrophobicContact CB-CG1 3.67Å; M436-V443 CarbonylContact O-C 3.53Å; M436-V443 WeakPolarHBondContact O-CA 3.37Å; L437-V443 HydrophobicContact CD1-CG2 4.1Å; V443-Y445 HydrophobicContact CG1-CE2 4.31Å |
| 444 | G | 80.1 | Confident | 76.4 | Confident | 18 Ų | 18 | 99 Ų | 99 | 19% | 0.186 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 162.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P435 M436 L438 | P435-G444 CarbonylContact C-O 3.52Å; P435-G444 WeakPolarHBondContact CA-O 3.32Å; M436-G444 PolarHBondContact N-O 2.74Å; M436-G444 PolarHBondContact O-N 3.21Å; L438-G444 VanDerWaalsContact CD1-CA 3.43Å |
| 445 | Y | 85.8 | Confident | 75.2 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.6 | 173.7 | -66.2 | -94 | 0 | 0 | 0 | 109.1 | M433 V434 P435 V443 | M433-Y445 HydrophobicContact CB-CD1 4.48Å; M433-Y445 HydrophobicContact CE-CG 4Å; V434-Y445 WeakPolarHBondContact O-CA 3.41Å; P435-Y445 HydrophobicContact CB-CD1 4.21Å; P435-Y445 HydrophobicContact CB-CE1 3.97Å; V443-Y445 HydrophobicContact CG1-CE2 4.31Å |
| 446 | V | 83.5 | Confident | 73.3 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.418 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.8 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | V434 M436 | V434-V446 PolarHBondContact N-O 3.22Å; V434-V446 PolarHBondContact O-N 3.21Å; M436-V446 HydrophobicContact CE-CB 4.12Å; M436-V446 HydrophobicContact CE-CG2 3.51Å |
| 447 | L | 79.3 | Confident | 71.7 | Confident | 75 Ų | 75 | 100.9 Ų | 100.9 | 39% | 0.393 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 113.8 | 178.7 | -146.8 | 74.1 | 0 | 0 | 0 | 109 | M431 M433 | M431-L447 HydrophobicContact CB-CD1 4.34Å; M431-L447 HydrophobicContact CB-CD2 3.94Å; M431-L447 HydrophobicContact CB-CG 3.73Å; M431-L447 HydrophobicContact CG-CD2 4.3Å; M431-L447 HydrophobicContact CG-CG 4.49Å; M431-L447 HydrophobicContact SD-CD2 3.32Å; M431-L447 WeakPolarHBondContact SD-CD2 3.34Å; M431-L447 HydrophobicContact SD-CG 4Å; M433-L447 HydrophobicContact CG-CD1 3.67Å; M433-L447 HydrophobicContact SD-CB 4.49Å; M433-L447 HydrophobicContact SD-CD1 3.35Å; M433-L447 WeakPolarHBondContact SD-CD1 3.39Å |
| 448 | Q | 72.6 | Confident | 70.1 | Confident | 66 Ų | 66 | 100.2 Ų | 100.2 | 31% | 0.308 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 133 | -178.6 | -167.1 | 171 | 10.9 | 0 | 0 | 110.9 | M431 Q432 V434 | M431-Q448 WeakPolarHBondContact CA-O 3.31Å; Q432-Q448 PolarHBondContact N-O 3.43Å; Q432-Q448 PolarHBondContact O-N 3.29Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å |
| 449 | Q | 68.7 | Low | 68.6 | Low | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | trans | -73 | 142.8 | 169.8 | -72.6 | -173.6 | 9.3 | 0 | 0 | 110.8 | M431 G451 | M431-Q449 HydrophobicContact CE-CG 4.09Å; M431-Q449 HydrophobicContact CG-CG 4.43Å; Q449-G451 PolarHBondContact O-N 3.37Å | ||
| 450 | P | 64.8 | Low | 67.4 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 133.9 | 174.5 | -13.1 | 28.7 | 0 | 0 | 0 | 110.1 | G430 | G430-P450 WeakPolarHBondContact O-CD 3.26Å; G430-P450 WeakPolarHBondContact O-CG 3.41Å |
| 451 | G | 64.7 | Low | 65.3 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 78% | 0.784 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.9 | 1.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q449 P453 | Q449-G451 PolarHBondContact O-N 3.37Å; G451-P453 WeakPolarHBondContact O-CD 3.45Å |
| 452 | M | 59 | Low | 63.9 | Low | 145 Ų | 145 | 114.7 Ų | 114.7 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | trans | -85 | 117.4 | 164.2 | -85.9 | -175.9 | 144.9 | 0 | 0 | 110.2 | M454 | M452-M454 PolarHBondContact O-N 3.28Š| ||
| 453 | P | 56.4 | Low | 62.1 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | trans | -62.6 | 132.2 | 171.7 | 25.4 | -31 | 0 | 0 | 0 | 109.1 | G451 A455 | G451-P453 WeakPolarHBondContact O-CD 3.45Å; P453-A455 PolarHBondContact O-N 3.46Å | ||
| 454 | M | 51.9 | Low | 60.1 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | trans | -51.1 | 114.9 | 171.1 | -67.8 | -77.4 | -93.5 | 0 | 0 | 108.3 | M452 A456 | M452-M454 PolarHBondContact O-N 3.28Å; M454-A456 PolarHBondContact O-N 2.79Å | ||
| 455 | A | 54.1 | Low | 58.5 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | -60.2 | 110 | 161 | 0 | 0 | 0 | 0 | 0 | 105.6 | P453 A457 | P453-A455 PolarHBondContact O-N 3.46Å; A455-A457 PolarHBondContact O-N 3.09Å | ||
| 456 | A | 46.3 | Very low | 56.6 | Low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 127.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M454 | M454-A456 PolarHBondContact O-N 2.79Š|
| 457 | A | 50.9 | Low | 54.6 | Low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 133.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | A455 | A455-A457 PolarHBondContact O-N 3.09Š|
| 458 | P | 51.2 | Low | 53.1 | Low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.8 | 179.3 | 22.8 | -31.1 | 0 | 0 | 0 | 108 | Q460 | P458-Q460 PolarHBondContact O-N 2.99Š|
| 459 | P | 54.5 | Low | 51.7 | Low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.3 | -179 | 21.8 | -31.6 | 0 | 0 | 0 | 108.8 | R461 | P459-R461 PolarHBondContact O-N 3.33Å; P459-R461 VanDerWaalsContact O-N 3.1Å |
| 460 | Q | 51.1 | Low | 50.3 | Low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.6 | 171.4 | -70.2 | -160.3 | -20.8 | 0 | 0 | 108.2 | P458 | P458-Q460 PolarHBondContact O-N 2.99Š|
| 461 | R | 44.7 | Very low | 49.4 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56 | 131.5 | 176.5 | -74.8 | -178.4 | 173.5 | -140.8 | -0.2 | 108.4 | P459 R463 | P459-R461 PolarHBondContact O-N 3.33Å; P459-R461 VanDerWaalsContact O-N 3.1Å; R461-R463 PolarHBondContact O-N 3.14Å |
| 462 | P | 52.7 | Low | 48.7 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 134.2 | 169.6 | -16.6 | 27.9 | 0 | 0 | 0 | 108.4 | R464 | P462-R464 PolarHBondContact O-N 3.5Š|
| 463 | R | 47 | Very low | 47.9 | Very low | 244 Ų | 244 | 140 Ų | 140 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -51.4 | 115.6 | 168 | -75.3 | -170.5 | 173.1 | 170.6 | -1.3 | 108.1 | R461 N465 | R461-R463 PolarHBondContact O-N 3.14Å; R463-N465 VanDerWaalsContact C-N 3.31Å; R463-N465 PolarHBondContact O-N 3.41Å | ||
| 464 | R | 42.6 | Very low | 47.3 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -70.1 | 93 | 172.1 | -172.5 | 178.8 | 173.6 | 171.4 | 3.8 | 106.7 | P462 D466 | P462-R464 PolarHBondContact O-N 3.5Å; R464-D466 VanDerWaalsContact C-N 3.34Å; R464-D466 IonicContact CZ-OD1 3.58Å; R464-D466 IonicContact NE-OD1 3.94Å; R464-D466 PolarHBondContact NE-OD1 3.21Å; R464-D466 IonicContact NE-OD2 3.18Å; R464-D466 IonicContact NH2-OD1 3.6Å; R464-D466 PolarHBondContact NH2-OD1 3.16Å; R464-D466 PolarHBondContact O-N 2.99Å | ||
| 465 | N | 46.1 | Very low | 47 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -72 | 100.2 | 156.1 | -110.5 | 18.1 | 0 | 0 | 0 | 105.8 | R463 R467 | R463-N465 VanDerWaalsContact C-N 3.31Å; R463-N465 PolarHBondContact O-N 3.41Å; N465-R467 PolarHBondContact O-N 3.01Å | ||
| 466 | D | 46.1 | Very low | 46.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 60% | 0.599 | 79% | 0.786 | S | S | * | * | trans | -61.4 | 105.9 | 170.2 | -78 | -63 | 0 | 0 | 0 | 108.9 | R464 N468 | R464-D466 VanDerWaalsContact C-N 3.34Å; R464-D466 IonicContact CZ-OD1 3.58Å; R464-D466 IonicContact NE-OD1 3.94Å; R464-D466 PolarHBondContact NE-OD1 3.21Å; R464-D466 IonicContact NE-OD2 3.18Å; R464-D466 IonicContact NH2-OD1 3.6Å; R464-D466 PolarHBondContact NH2-OD1 3.16Å; R464-D466 PolarHBondContact O-N 2.99Å; D466-N468 PolarHBondContact O-N 3.5Å | ||
| 467 | R | 42.8 | Very low | 46.4 | Very low | 244 Ų | 244 | 142.1 Ų | 142.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -66.2 | 108.5 | 157.9 | -74 | 177.9 | 173.6 | 171.9 | -1.9 | 107 | N465 | N465-R467 PolarHBondContact O-N 3.01Š| ||
| 468 | N | 46.5 | Very low | 46.2 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -108.7 | 93.6 | 156.8 | -154.3 | 16.6 | 0 | 0 | 0 | 109.9 | D466 | D466-N468 PolarHBondContact O-N 3.5Š| ||
| 469 | N | 43.6 | Very low | 45.9 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 8 | 107 | 137.6 | -163.3 | 31.8 | 0 | 0 | 0 | 116.8 | ||||
| 470 | G | 38.9 | Very low | 45.5 | Very low | 83 Ų | 83 | 145.9 Ų | 145.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -118.2 | 99.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 471 | S | 47.1 | Very low | 45.3 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -91.1 | 143.7 | 177.4 | -167.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | S | 48.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 67.1 | 129.4 | 153.1 | 69.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 473 | G | 42.4 | Very low | 45.2 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | 123.5 | 88.9 | 128.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 474 | G | 44 | Very low | 45.2 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 27.1 | 123.9 | 133.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 475 | S | 46.4 | Very low | 45.2 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | 66.1 | 131.8 | 129.3 | 64.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 476 | G | 42.9 | Very low | 45.2 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 108 | 97.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 477 | R | 45.4 | Very low | 45.2 | Very low | 242 Ų | 242 | 139.5 Ų | 139.5 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | 61.4 | 105.8 | 92.4 | -81.4 | -172 | 173.8 | 169 | -1.4 | 114.2 | |||||
| 478 | D | 46.4 | Very low | 45.4 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 145.6 | 132.7 | -106.2 | -30.7 | 0 | 0 | 0 | 121.9 | ||||
| 479 | N | 43.9 | Very low | 45.5 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 89.2 | 124.9 | 160.7 | -69.6 | -4.8 | 0 | 0 | 0 | 120.7 | ||||
| 480 | S | 46.2 | Very low | 46.1 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 147.7 | 169 | 43.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 481 | H | 47.8 | Very low | 46.6 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | 172.4 | 148.9 | 117.5 | -107.9 | 14.3 | 0 | 0 | 0 | 112 | |||||
| 482 | E | 44.3 | Very low | 47 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 150.8 | -178.8 | -65.2 | 149.4 | 100.5 | 0 | 0 | 114.2 | ||||
| 483 | H | 50.6 | Low | 47.5 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | 172.8 | 131.6 | 116.7 | -130.6 | -66.2 | 0 | 0 | 0 | 112.1 | |||||
| 484 | D | 47.8 | Very low | 48.3 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 31.2 | 143.6 | 149.2 | -86.2 | -52.9 | 0 | 0 | 0 | 124.9 | ||||
| 485 | G | 42.4 | Very low | 48.9 | Very low | 68 Ų | 68 | 164.1 Ų | 164.1 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | 148.7 | 77.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 486 | N | 45.1 | Very low | 49 | Very low | 153 Ų | 153 | 166 Ų | 166 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | 39.7 | 121 | 128.7 | -164.9 | 30.5 | 0 | 0 | 0 | 120.8 | |||||
| 487 | R | 47 | Very low | 49.3 | Very low | 243 Ų | 243 | 171.1 Ų | 171.1 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | 156.2 | 127.8 | 146.2 | -89.6 | 162.1 | -173 | -162.8 | 4.5 | 107.1 | ||||
| 488 | G | 46.3 | Very low | 49.5 | Very low | 82 Ų | 82 | 167.1 Ų | 167.1 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | cis | 148.6 | 149.8 | 15.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 489 | G | 47.7 | Very low | 49.7 | Very low | 75 Ų | 75 | 168.1 Ų | 168.1 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | 134.2 | 86.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 490 | R | 56.8 | Low | 50.1 | Low | 238 Ų | 238 | 169.4 Ų | 169.4 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | 45.4 | 111 | 129.8 | -57.6 | -166.4 | -167.7 | -139.7 | 5.8 | 119 | |||||
| 491 | R | 49.8 | Very low | 50.3 | Low | 244 Ų | 244 | 174.1 Ų | 174.1 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | 64.5 | 114 | 92.6 | -82.3 | -170 | -177.1 | -172 | 0.5 | 115.5 | |||||
| 492 | Y | 56 | Low | 50.5 | Low | 225 Ų | 225 | 174.2 Ų | 174.2 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | -170 | 134 | 116 | -149.8 | -99.9 | 0 | 0 | 0 | 111.8 | |||||
| 493 | R | 58 | Low | 51 | Low | 225 Ų | 225 | 174.5 Ų | 174.5 | 85% | 0.849 | 85% | 0.845 | S | S | * | * | trans | -148.8 | 164.9 | 163.5 | -108 | -169.9 | 170.2 | -154 | -2.4 | 103.5 | ||||
| 494 | P | 59.6 | Low | 51 | Low | 93 Ų | 93 | 174.9 Ų | 174.9 | 60% | 0.604 | 85% | 0.85 | S | S | * | * | cis | -132.8 | 179.4 | -26.9 | 34.7 | -15.7 | 0 | 0 | 0 | 111.1 | ||||
| 495 | Y | 56 | Low | 51.3 | Low | 304 Ų | 304 | 177.3 Ų | 177.3 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | -130.3 | 0 | 128.7 | -95.6 | -82.2 | 0 | 0 | 0 | 106.6 |
Retrieved 495 of 495 residues in 1310.3 ms
(Link to these results)