| 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 | 43.2 | Very low | 49.7 | Very low | 240 Ų | 240 | 149.9 Ų | 149.9 | 100% | 1.182 | 78% | 0.779 | S | S | * | * | 0 | 109.1 | 0 | -64.5 | 171.6 | 177.4 | 0 | 0 | 106.5 | |||||
| 2 | S | 44.5 | Very low | 49.7 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -174.5 | 134.8 | -16.3 | 6.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 3 | D | 43.2 | Very low | 49.8 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 49.1 | 133.7 | 94.5 | -59.4 | -75 | 0 | 0 | 0 | 114.1 | |||||
| 4 | A | 51.2 | Low | 50 | Low | 78 Ų | 78 | 153.6 Ų | 153.6 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | cis | -170.2 | 165.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 5 | R | 51.6 | Low | 49.9 | Very low | 204 Ų | 204 | 155.8 Ų | 155.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -158.7 | 165 | -2.7 | -155.1 | 172.5 | -94.4 | 109.4 | 6.7 | 109.6 | ||||
| 6 | D | 49 | Very low | 49.6 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 154.4 | 160.2 | -45.6 | -84.7 | 0 | 0 | 0 | 112.6 | ||||
| 7 | N | 53.1 | Low | 49.3 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -146.6 | 115.4 | 159.6 | -115.2 | 36.1 | 0 | 0 | 0 | 106.6 | ||||
| 8 | D | 49.8 | Very low | 49.4 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -126.1 | 92.1 | -174.9 | -178.3 | 22.8 | 0 | 0 | 0 | 108.6 | R10 | D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.06Å | ||
| 9 | D | 55.5 | Low | 49.3 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 75.8 | -174.9 | -82.7 | -56.2 | 0 | 0 | 0 | 111.3 | V11 | D9-V11 PolarHBondContact O-N 2.73Š| ||
| 10 | R | 47.5 | Very low | 49.1 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 113.7 | 174.4 | 176.1 | -174 | 173.1 | 119.7 | 8.8 | 111.8 | D8 D12 | D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.06Å; R10-D12 IonicContact CZ-OD1 2.94Å; R10-D12 VanDerWaalsContact CZ-OD1 3.26Å; R10-D12 IonicContact CZ-OD2 2.61Å; R10-D12 VanDerWaalsContact NE-CG 3.29Å; R10-D12 IonicContact NE-OD1 3.84Å; R10-D12 PolarHBondContact NE-OD1 2.66Å; R10-D12 IonicContact NE-OD2 3.69Å; R10-D12 PolarHBondContact NE-OD2 3.15Å; R10-D12 IonicContact NH2-OD1 2.84Å; R10-D12 PolarHBondContact NH2-OD1 3.39Å; R10-D12 IonicContact NH2-OD2 3.24Å | ||
| 11 | V | 58 | Low | 49.2 | Very low | 120 Ų | 120 | 150 Ų | 150 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -98 | 97.7 | 168.1 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | D9 F13 | D9-V11 PolarHBondContact O-N 2.73Å; V11-F13 PolarHBondContact O-N 3.24Å | ||
| 12 | D | 49.5 | Very low | 49.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.7 | 169.3 | -72.8 | -57.8 | 0 | 0 | 0 | 110.1 | R10 | R10-D12 IonicContact CZ-OD1 2.94Å; R10-D12 VanDerWaalsContact CZ-OD1 3.26Å; R10-D12 IonicContact CZ-OD2 2.61Å; R10-D12 VanDerWaalsContact NE-CG 3.29Å; R10-D12 IonicContact NE-OD1 3.84Å; R10-D12 PolarHBondContact NE-OD1 2.66Å; R10-D12 IonicContact NE-OD2 3.69Å; R10-D12 PolarHBondContact NE-OD2 3.15Å; R10-D12 IonicContact NH2-OD1 2.84Å; R10-D12 PolarHBondContact NH2-OD1 3.39Å; R10-D12 IonicContact NH2-OD2 3.24Å |
| 13 | F | 51.5 | Low | 49.3 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 123.3 | 167.2 | -90.8 | -90.1 | 0 | 0 | 0 | 109.5 | V11 | V11-F13 PolarHBondContact O-N 3.24Š|
| 14 | E | 52.3 | Low | 49.3 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 154.8 | -176.1 | -70.4 | -169.3 | 138 | 0 | 0 | 113.9 | G16 | E14-G16 PolarHBondContact O-N 2.81Š|
| 15 | E | 48 | Very low | 49.2 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -91.1 | 105.2 | -155.4 | -171.1 | 174.7 | -172.2 | 0 | 0 | 113.7 | S17 | E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 2.76Å | ||
| 16 | G | 46 | Very low | 48.9 | Very low | 76 Ų | 76 | 153 Ų | 153 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 75.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E14 Y18 | E14-G16 PolarHBondContact O-N 2.81Å; G16-Y18 PolarHBondContact O-N 2.83Å | ||
| 17 | S | 43.9 | Very low | 48.5 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -50.2 | 98.8 | 179.3 | 165.4 | 0 | 0 | 0 | 0 | 113.9 | E15 | E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 2.76Å | ||
| 18 | Y | 50.8 | Low | 48.1 | Very low | 217 Ų | 217 | 156.8 Ų | 156.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -86.8 | 110 | 167.7 | -170.3 | -90.8 | 0 | 0 | 0 | 109.3 | G16 E20 | G16-Y18 PolarHBondContact O-N 2.83Å; Y18-E20 PolarHBondContact O-N 2.73Å | ||
| 19 | S | 48.3 | Very low | 47.5 | Very low | 80 Ų | 80 | 158.7 Ų | 158.7 | 56% | 0.559 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 121.6 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | M21 | S19-M21 PolarHBondContact O-N 3.12Š| ||
| 20 | E | 45.3 | Very low | 46.9 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -55.5 | 134.3 | 164.7 | -65.7 | 164.6 | 122.3 | 0 | 0 | 110.4 | Y18 | Y18-E20 PolarHBondContact O-N 2.73Š| ||
| 21 | M | 50.7 | Low | 46.6 | Very low | 160 Ų | 160 | 156 Ų | 156 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 121.3 | 155.1 | -66.7 | -170.2 | -174.7 | 0 | 0 | 106.3 | S19 D23 | S19-M21 PolarHBondContact O-N 3.12Å; M21-D23 PolarHBondContact O-N 2.92Å | ||
| 22 | E | 45.1 | Very low | 45.7 | Very low | 171 Ų | 171 | 159 Ų | 159 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 95.4 | 174.5 | -65.1 | 160.5 | 120.1 | 0 | 0 | 107 | E24 | E22-E24 PolarHBondContact O-N 3.24Å; E22-E24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | D | 45.3 | Very low | 45.3 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 100.3 | 171.7 | -77.8 | -34.8 | 0 | 0 | 0 | 108.8 | M21 V25 | M21-D23 PolarHBondContact O-N 2.92Å; D23-V25 PolarHBondContact O-N 3.22Å; D23-V25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | E | 43.8 | Very low | 44.7 | Very low | 187 Ų | 187 | 162 Ų | 162 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -62.8 | 105.3 | 171.5 | -70.6 | -178.2 | 122.5 | 0 | 0 | 109.7 | E22 E26 | E22-E24 PolarHBondContact O-N 3.24Å; E22-E24 VanDerWaalsContact O-N 3.12Å; E24-E26 PolarHBondContact O-N 3.25Å | ||
| 25 | V | 47.4 | Very low | 44.2 | Very low | 133 Ų | 133 | 161.5 Ų | 161.5 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 103.3 | 170.7 | -81.8 | 0 | 0 | 0 | 0 | 109.8 | D23 E27 | D23-V25 PolarHBondContact O-N 3.22Å; D23-V25 VanDerWaalsContact O-N 3.07Å; V25-E27 PolarHBondContact O-N 2.9Å | ||
| 26 | E | 45.9 | Very low | 44 | Very low | 187 Ų | 187 | 161.4 Ų | 161.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 123.1 | 169.7 | -68 | -171.9 | 125.3 | 0 | 0 | 110.1 | E24 E28 | E24-E26 PolarHBondContact O-N 3.25Å; E26-E28 PolarHBondContact O-N 2.85Å | ||
| 27 | E | 40.2 | Very low | 43.7 | Very low | 187 Ų | 187 | 167 Ų | 167 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -76.5 | 84.3 | 177.3 | -64.5 | -177.2 | 155.4 | 0 | 0 | 110.5 | V25 Q29 | V25-E27 PolarHBondContact O-N 2.9Å; E27-Q29 PolarHBondContact O-N 3.2Å; E27-Q29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | E | 44.4 | Very low | 43.8 | Very low | 183 Ų | 183 | 170.5 Ų | 170.5 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -63.3 | 112.5 | 165.6 | -77 | -164.7 | 133.4 | 0 | 0 | 109.6 | E26 V30 | E26-E28 PolarHBondContact O-N 2.85Å; E28-V30 PolarHBondContact O-N 3.41Å | ||
| 29 | Q | 39 | Very low | 43.3 | Very low | 187 Ų | 187 | 169 Ų | 169 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -64 | 120.1 | 176.3 | -77.1 | 156.2 | 88.9 | 0 | 0 | 109.8 | E27 E31 | E27-Q29 PolarHBondContact O-N 3.2Å; E27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-E31 PolarHBondContact O-N 3.21Å | ||
| 30 | V | 41.7 | Very low | 43.3 | Very low | 136 Ų | 136 | 173 Ų | 173 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -75.1 | 109.2 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | E28 E32 | E28-V30 PolarHBondContact O-N 3.41Å; V30-E32 PolarHBondContact O-N 3.03Å | ||
| 31 | E | 42.1 | Very low | 43.1 | Very low | 138 Ų | 138 | 172.3 Ų | 172.3 | 65% | 0.645 | 83% | 0.833 | S | S | * | * | trans | -71 | 124.3 | 164.8 | -79.5 | -169.3 | 162.2 | 0 | 0 | 109.3 | Q29 Y33 | Q29-E31 PolarHBondContact O-N 3.21Å; E31-Y33 HydrophobicContact CB-CD2 4.17Å; E31-Y33 HydrophobicContact CB-CE2 3.54Å; E31-Y33 WeakPolarHBondContact O-CD2 3.24Å; E31-Y33 PolarHBondContact O-N 3.42Å; E31-Y33 PolarHBondContact OE2-OH 3.22Å | ||
| 32 | E | 39.1 | Very low | 43.1 | Very low | 184 Ų | 184 | 172.7 Ų | 172.7 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -83.4 | 102.8 | -179.2 | -170 | 163.4 | -137.2 | 0 | 0 | 108.3 | V30 | V30-E32 PolarHBondContact O-N 3.03Š| ||
| 33 | Y | 40.1 | Very low | 43.1 | Very low | 183 Ų | 183 | 172.3 Ų | 172.3 | 72% | 0.718 | 84% | 0.842 | S | S | * | * | trans | -91.1 | 102.9 | 177.2 | -76.5 | -90.1 | 0 | 0 | 0 | 109.5 | E31 E35 | E31-Y33 HydrophobicContact CB-CD2 4.17Å; E31-Y33 HydrophobicContact CB-CE2 3.54Å; E31-Y33 WeakPolarHBondContact O-CD2 3.24Å; E31-Y33 PolarHBondContact O-N 3.42Å; E31-Y33 PolarHBondContact OE2-OH 3.22Å; Y33-E35 PolarHBondContact O-N 3.5Å | ||
| 34 | E | 40.3 | Very low | 43.3 | Very low | 182 Ų | 182 | 173.3 Ų | 173.3 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | -67.2 | 110.7 | 167.9 | -61.6 | 176.3 | 131 | 0 | 0 | 108.7 | ||||
| 35 | E | 41.5 | Very low | 43.3 | Very low | 189 Ų | 189 | 171.2 Ų | 171.2 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | -85.6 | 109.7 | 165.1 | -71.7 | -169.7 | 147.6 | 0 | 0 | 108.2 | Y33 | Y33-E35 PolarHBondContact O-N 3.5Š| ||
| 36 | E | 43.1 | Very low | 43.4 | Very low | 183 Ų | 183 | 170.7 Ų | 170.7 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | trans | -69.7 | 128.4 | 177.7 | -62.3 | -179 | 130.1 | 0 | 0 | 110.2 | E38 | E36-E38 PolarHBondContact O-N 2.6Š| ||
| 37 | E | 39.6 | Very low | 43 | Very low | 193 Ų | 193 | 165.4 Ų | 165.4 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -75.3 | 108.5 | 172.1 | -65.9 | -173.6 | 160.6 | 0 | 0 | 109.6 | ||||
| 38 | E | 46 | Very low | 43 | Very low | 182 Ų | 182 | 164.2 Ų | 164.2 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | trans | -83.6 | 113.7 | 167.5 | -71.7 | -161.1 | 140 | 0 | 0 | 110.3 | E36 D40 | E36-E38 PolarHBondContact O-N 2.6Å; E38-D40 PolarHBondContact O-N 2.95Å | ||
| 39 | E | 39.5 | Very low | 42.6 | Very low | 185 Ų | 185 | 163.4 Ų | 163.4 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -75.7 | 104.2 | 171.2 | -62.3 | 177.3 | 132.5 | 0 | 0 | 110 | ||||
| 40 | D | 49 | Very low | 42.6 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -93.5 | 98.4 | 167.3 | -101.5 | -24.5 | 0 | 0 | 0 | 109.9 | E38 | E38-D40 PolarHBondContact O-N 2.95Š| ||
| 41 | D | 41.3 | Very low | 42.2 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -67.3 | 133.1 | 166.1 | -81 | -43.7 | 0 | 0 | 0 | 110.9 | ||||
| 42 | D | 50.3 | Low | 42.2 | Very low | 168 Ų | 168 | 162.3 Ų | 162.3 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | -153.5 | 109.8 | 151.2 | -119.2 | -20.1 | 0 | 0 | 0 | 110.2 | ||||
| 43 | D | 45.1 | Very low | 42.1 | Very low | 164 Ų | 164 | 162.3 Ų | 162.3 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | trans | -68 | 142.1 | 172.9 | -82.4 | -60.2 | 0 | 0 | 0 | 111.2 | ||||
| 44 | D | 49 | Very low | 42.1 | Very low | 168 Ų | 168 | 163.4 Ų | 163.4 | 90% | 0.898 | 84% | 0.841 | S | S | * | * | trans | -151.6 | 150.3 | 137.3 | -134.5 | -24.9 | 0 | 0 | 0 | 113.2 | ||||
| 45 | D | 45.1 | Very low | 42.1 | Very low | 143 Ų | 143 | 162.2 Ų | 162.2 | 77% | 0.765 | 84% | 0.835 | S | S | * | * | trans | -100 | -177.9 | -157.2 | -179.2 | 34.9 | 0 | 0 | 0 | 114.5 | ||||
| 46 | V | 48.9 | Very low | 41.9 | Very low | 122 Ų | 122 | 160.1 Ų | 160.1 | 74% | 0.739 | 84% | 0.835 | S | S | * | * | trans | 87.9 | 77.2 | 161 | -162.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 47 | G | 37.3 | Very low | 41.9 | Very low | 75 Ų | 75 | 159 Ų | 159 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -75.6 | 176.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 48 | N | 40 | Very low | 41.9 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -142.8 | 153.5 | 160.6 | -169.9 | 27.4 | 0 | 0 | 0 | 111.1 | ||||
| 49 | Q | 36.4 | Very low | 41.9 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -89.8 | 137.6 | -176.2 | -61.4 | 159.6 | 12.6 | 0 | 0 | 110.8 | ||||
| 50 | N | 38.4 | Very low | 41.8 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | -169 | 141.3 | 127.1 | -100.6 | -13.3 | 0 | 0 | 0 | 110.6 | |||||
| 51 | A | 34 | Very low | 41.2 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -98.5 | 135.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 52 | E | 42.3 | Very low | 41.3 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -128.5 | 139.5 | 153.2 | -72.6 | -159.7 | 159.4 | 0 | 0 | 108.7 | ||||
| 53 | E | 36 | Very low | 41 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 158.6 | 178.7 | -56.2 | 160.6 | 141.8 | 0 | 0 | 109.8 | ||||
| 54 | R | 41.6 | Very low | 40.4 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 153.5 | 151.6 | 154.2 | -91.3 | -166.3 | -172.3 | 100.3 | 12.3 | 111.1 | ||||
| 55 | E | 38.9 | Very low | 39.8 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | cis | -158 | 147 | -27.9 | -128.6 | 157.8 | -165 | 0 | 0 | 105.2 | ||||
| 56 | V | 39 | Very low | 39.4 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -102.1 | 106.9 | -176.8 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | D58 | V56-D58 PolarHBondContact O-N 3.16Š| ||
| 57 | E | 42.4 | Very low | 39.3 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -88.4 | 97 | 172.1 | -68.8 | -155.1 | 159.9 | 0 | 0 | 111.3 | Y59 | E57-Y59 HydrophobicContact CB-CD2 4.47Å; E57-Y59 HydrophobicContact CB-CE2 4.39Å | ||
| 58 | D | 39.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 135.7 | 159.1 | 174 | 34.7 | 0 | 0 | 0 | 109.9 | V56 | V56-D58 PolarHBondContact O-N 3.16Š| ||
| 59 | Y | 45.4 | Very low | 39.4 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -124.3 | 86.9 | 174.9 | -96.5 | -86.6 | 0 | 0 | 0 | 110 | E57 | E57-Y59 HydrophobicContact CB-CD2 4.47Å; E57-Y59 HydrophobicContact CB-CE2 4.39Å | ||
| 60 | G | 38.8 | Very low | 39.6 | Very low | 58 Ų | 58 | 146.8 Ų | 146.8 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | trans | -88.7 | 169.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 61 | D | 36.5 | Very low | 39.4 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 54 | 116.9 | 160.6 | -168.8 | 37.2 | 0 | 0 | 0 | 119.7 | K63 | D61-K63 PolarHBondContact OD1-N 2.98Š| ||
| 62 | T | 42 | Very low | 39.8 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | -153.7 | 106.5 | 115 | -0.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 63 | K | 43.5 | Very low | 39.4 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 56.3 | 123 | 146.3 | -63.3 | 172.3 | -178.2 | 176.2 | 0 | 120.3 | D61 | D61-K63 PolarHBondContact OD1-N 2.98Š| ||
| 64 | G | 33.4 | Very low | 39.5 | Very low | 84 Ų | 84 | 150.6 Ų | 150.6 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 179 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 65 | G | 36.4 | Very low | 39.4 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -168.2 | 128 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 66 | D | 37.4 | Very low | 39.5 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 149.3 | 179.9 | -50.7 | -92.2 | 0 | 0 | 0 | 112.8 | ||||
| 67 | M | 45.6 | Very low | 39.7 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -172.3 | 99.7 | 152.7 | -102.7 | 162.9 | -168.5 | 0 | 0 | 106.2 | ||||
| 68 | E | 43.1 | Very low | 39.8 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | 77.1 | 125.9 | 75 | -73.3 | -166.8 | 145.8 | 0 | 0 | 113.6 | |||||
| 69 | D | 36.1 | Very low | 40.1 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 136.7 | -179.6 | -58 | -88.4 | 0 | 0 | 0 | 112.9 | ||||
| 70 | V | 41.6 | Very low | 40.1 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -136.3 | 115.7 | 157.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 71 | Q | 34.1 | Very low | 40.4 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -90.4 | 132.9 | 157.4 | -66.9 | 175.5 | -29.3 | 0 | 0 | 108 | ||||
| 72 | E | 41.9 | Very low | 40.9 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -151.8 | 146.4 | 158.6 | -126.3 | 167.2 | -155.5 | 0 | 0 | 110.2 | ||||
| 73 | E | 34.6 | Very low | 40.8 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | -116.5 | 174.5 | -173.5 | -58.7 | -175.4 | 159.1 | 0 | 0 | 111.4 | ||||
| 74 | I | 37.8 | Very low | 41.1 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 72.5 | 111.6 | 161.5 | -52.2 | 163.8 | 0 | 0 | 0 | 117 | ||||
| 75 | A | 40.1 | Very low | 41.6 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | -158.5 | 148.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 76 | E | 39.9 | Very low | 41.9 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -112.2 | 173.6 | -176.2 | -61.3 | 171 | 128.4 | 0 | 0 | 111 | ||||
| 77 | D | 43.8 | Very low | 42.3 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 63.7 | 129 | 168.3 | -50.7 | -25 | 0 | 0 | 0 | 117.4 | ||||
| 78 | D | 44.1 | Very low | 42.2 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | -159.1 | 161.7 | 66.2 | -169.5 | 12.2 | 0 | 0 | 0 | 112.1 | |||||
| 79 | D | 46.7 | Very low | 42.4 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 145.7 | -168.5 | -79.6 | -50.2 | 0 | 0 | 0 | 115 | ||||
| 80 | N | 45.7 | Very low | 42.9 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -148.5 | 115.8 | 149.7 | -102.8 | -81.2 | 0 | 0 | 0 | 112.2 | ||||
| 81 | H | 43.4 | Very low | 43 | Very low | 152 Ų | 152 | 155.4 Ų | 155.4 | 70% | 0.704 | 82% | 0.816 | S | S | * | * | trans | -88.4 | 121 | -166.5 | -171.3 | -67.3 | 0 | 0 | 0 | 112.5 | D83 | H81-D83 VanDerWaalsContact CE1-CG 3.49Å; H81-D83 IonicContact CE1-OD1 3Å; H81-D83 PolarHBondContact CE1-OD1 3.42Å; H81-D83 IonicContact CE1-OD2 3.79Å; H81-D83 PolarHBondContact CE1-OD2 2.94Å; H81-D83 VanDerWaalsContact CE1-OD2 3.26Å; H81-D83 IonicContact ND1-OD1 2.74Å; H81-D83 IonicContact ND1-OD2 3.91Å | ||
| 82 | I | 47.4 | Very low | 43.4 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -132.3 | 111.7 | 168 | -60.4 | -178.8 | 0 | 0 | 0 | 108.8 | I84 | I82-I84 HydrophobicContact CG2-CG1 4.45Å; I82-I84 PolarHBondContact O-N 2.61Å | ||
| 83 | D | 40.7 | Very low | 43.5 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -70.9 | 119.7 | 173.1 | -62.2 | -59.9 | 0 | 0 | 0 | 110.6 | H81 | H81-D83 VanDerWaalsContact CE1-CG 3.49Å; H81-D83 IonicContact CE1-OD1 3Å; H81-D83 PolarHBondContact CE1-OD1 3.42Å; H81-D83 IonicContact CE1-OD2 3.79Å; H81-D83 PolarHBondContact CE1-OD2 2.94Å; H81-D83 VanDerWaalsContact CE1-OD2 3.26Å; H81-D83 IonicContact ND1-OD1 2.74Å; H81-D83 IonicContact ND1-OD2 3.91Å | ||
| 84 | I | 49.2 | Very low | 44 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 70% | 0.697 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 114.4 | 157.8 | -69.5 | -178.4 | 0 | 0 | 0 | 107.1 | I82 T86 | I82-I84 HydrophobicContact CG2-CG1 4.45Å; I82-I84 PolarHBondContact O-N 2.61Å; I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.47Å; I84-T86 PolarHBondContact O-OG1 3.23Å | ||
| 85 | E | 43.4 | Very low | 44.3 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -63.9 | 94.2 | 173.3 | -65.3 | -178.2 | 148.2 | 0 | 0 | 109 | A87 | E85-A87 PolarHBondContact O-N 3.47Š| ||
| 86 | T | 43.9 | Very low | 44.8 | Very low | 126 Ų | 126 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -85.8 | 110 | 174.3 | -36.9 | 0 | 0 | 0 | 0 | 106.7 | I84 | I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.47Å; I84-T86 PolarHBondContact O-OG1 3.23Å | ||
| 87 | A | 45.8 | Very low | 45.6 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 145 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E85 D89 | E85-A87 PolarHBondContact O-N 3.47Å; A87-D89 PolarHBondContact O-N 2.99Å | ||
| 88 | D | 43.3 | Very low | 46.5 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | trans | -60.7 | 125.7 | 174.1 | -45.2 | -97.6 | 0 | 0 | 0 | 110.8 | ||||
| 89 | D | 46.1 | Very low | 47.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -134.5 | 125.8 | 163.8 | -164.1 | 18.6 | 0 | 0 | 0 | 107.5 | A87 E91 | A87-D89 PolarHBondContact O-N 2.99Å; D89-E91 PolarHBondContact O-N 3.47Å | ||
| 90 | D | 46.9 | Very low | 48.3 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | -69.7 | 116.7 | -161.2 | -78.1 | -70.9 | 0 | 0 | 0 | 112.8 | K92 | D90-K92 PolarHBondContact O-N 3.42Š| ||
| 91 | E | 43.7 | Very low | 49.5 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -61.8 | 93.3 | 168 | -75.5 | -162.9 | 132.9 | 0 | 0 | 111.1 | D89 P93 | D89-E91 PolarHBondContact O-N 3.47Å; E91-P93 WeakPolarHBondContact O-CD 3.49Å | ||
| 92 | K | 42.3 | Very low | 50.8 | Low | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | trans | -92 | 110.5 | 168.6 | -167.6 | 173.6 | -175.8 | 179.9 | 0 | 109.4 | D90 | D90-K92 PolarHBondContact O-N 3.42Š| ||
| 93 | P | 44.4 | Very low | 52 | Low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 148.8 | 178.7 | 25.7 | -34.3 | 0 | 0 | 0 | 110.6 | E91 | E91-P93 WeakPolarHBondContact O-CD 3.49Š|
| 94 | P | 45.2 | Very low | 53.6 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 151.8 | 172.7 | 26.5 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 95 | S | 44.7 | Very low | 54.8 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -47.9 | 139.5 | 176.8 | -41.4 | 0 | 0 | 0 | 0 | 110.5 | I97 | S95-I97 VanDerWaalsContact C-N 3.31Å; S95-I97 PolarHBondContact O-N 2.95Å |
| 96 | P | 50.1 | Low | 56.3 | Low | 129 Ų | 129 | 113 Ų | 113 | 84% | 0.838 | 61% | 0.613 | S | S | * | * | trans | -66.1 | 96.2 | 169.7 | 28 | -32.8 | 0 | 0 | 0 | 108.8 | D98 | P96-D98 PolarHBondContact O-N 3.32Š| ||
| 97 | I | 56.8 | Low | 57.9 | Low | 57 Ų | 57 | 112.6 Ų | 112.6 | 29% | 0.292 | 60% | 0.603 | S | S | . | * | trans | -56.1 | 118.1 | 158.4 | -64.6 | 174.5 | 0 | 0 | 0 | 105.4 | S95 D101 R102 Y105 | S95-I97 VanDerWaalsContact C-N 3.31Å; S95-I97 PolarHBondContact O-N 2.95Å; I97-D101 HydrophobicContact CG2-CB 3.71Å; I97-R102 PolarHBondContact O-NH2 2.98Å; I97-Y105 HydrophobicContact CG2-CD2 4.3Å; I97-Y105 HydrophobicContact CG2-CE2 3.82Å | ||
| 98 | D | 62.5 | Low | 59.3 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | trans | -50.4 | 141.3 | -177.8 | -156.4 | -28.7 | 0 | 0 | 0 | 109.7 | P96 E100 D101 R102 | P96-D98 PolarHBondContact O-N 3.32Å; D98-E100 PolarHBondContact O-N 3.1Å; D98-D101 HydrophobicContact CB-CB 4.32Å; D98-D101 WeakPolarHBondContact O-CA 3.38Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.66Å; D98-R102 PolarHBondContact O-N 3.22Å | ||
| 99 | D | 63.4 | Low | 60.8 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -31.8 | -176.4 | -69 | -41.6 | 0 | 0 | 0 | 110.1 | D101 R102 E103 | D99-D101 PolarHBondContact O-N 3Å; D99-R102 PolarHBondContact O-N 2.8Å; D99-R102 IonicContact OD1-CZ 4Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; D99-R102 IonicContact OD1-NH2 2.6Å; D99-R102 PolarHBondContact OD1-NH2 3.29Å; D99-E103 PolarHBondContact O-N 2.83Å |
| 100 | E | 66.4 | Low | 62.2 | Low | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 168.7 | -70.2 | -163.8 | -165.7 | 0 | 0 | 113.6 | D98 R102 K104 | D98-E100 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-K104 WeakPolarHBondContact O-CB 3.01Å; E100-K104 VanDerWaalsContact O-CD 3.22Å; E100-K104 WeakPolarHBondContact O-CD 3.21Å; E100-K104 WeakPolarHBondContact O-CE 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.99Å; E100-K104 IonicContact OE2-NZ 3.65Å; E100-K104 PolarHBondContact OE2-NZ 3.35Å |
| 101 | D | 70 | Confident | 63.6 | Low | 30 Ų | 30 | 94.8 Ų | 94.8 | 16% | 0.16 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 177.6 | -98.7 | -29.6 | 0 | 0 | 0 | 110.2 | I97 D98 D99 K104 Y105 Y246 K250 | I97-D101 HydrophobicContact CG2-CB 3.71Å; D98-D101 HydrophobicContact CB-CB 4.32Å; D98-D101 WeakPolarHBondContact O-CA 3.38Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.66Å; D99-D101 PolarHBondContact O-N 3Å; D101-K104 PolarHBondContact O-N 3.44Å; D101-Y105 HydrophobicContact CB-CE2 4.02Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD2 3.37Å; D101-Y105 PolarHBondContact O-N 3.3Å; D101-Y246 PolarHBondContact OD1-OH 2.83Å; D101-K250 IonicContact OD1-NZ 2.7Å; D101-K250 PolarHBondContact OD1-NZ 3.47Å; D101-K250 IonicContact OD2-NZ 2.77Å; D101-K250 PolarHBondContact OD2-NZ 2.86Å |
| 102 | R | 69.9 | Low | 65.1 | Low | 132 Ų | 132 | 86.6 Ų | 86.6 | 50% | 0.498 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.7 | -159 | -178 | -49.3 | 115 | 22.3 | 112.4 | I97 D98 D99 E100 Y105 S106 | I97-R102 PolarHBondContact O-NH2 2.98Å; D98-R102 PolarHBondContact O-N 3.22Å; D99-R102 PolarHBondContact O-N 2.8Å; D99-R102 IonicContact OD1-CZ 4Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; D99-R102 IonicContact OD1-NH2 2.6Å; D99-R102 PolarHBondContact OD1-NH2 3.29Å; E100-R102 VanDerWaalsContact C-N 3.33Å; R102-Y105 PolarHBondContact O-N 2.74Å; R102-S106 PolarHBondContact O-N 2.8Å |
| 103 | E | 74 | Confident | 66.8 | Low | 141 Ų | 141 | 79.1 Ų | 79.1 | 66% | 0.659 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 171.9 | -73.3 | -176.2 | 179.7 | 0 | 0 | 111.7 | D99 Y105 S106 H107 | D99-E103 PolarHBondContact O-N 2.83Å; E103-Y105 PolarHBondContact O-N 2.95Å; E103-S106 PolarHBondContact O-N 3.4Å; E103-S106 PolarHBondContact O-OG 3.3Å; E103-H107 PolarHBondContact O-N 3.01Å |
| 104 | K | 74.6 | Confident | 68.2 | Low | 78 Ų | 78 | 77.5 Ų | 77.5 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.8 | -68.9 | 158 | -158.7 | 164.8 | 0 | 111.3 | E100 D101 H107 L108 Y246 | E100-K104 WeakPolarHBondContact O-CB 3.01Å; E100-K104 VanDerWaalsContact O-CD 3.22Å; E100-K104 WeakPolarHBondContact O-CD 3.21Å; E100-K104 WeakPolarHBondContact O-CE 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.99Å; E100-K104 IonicContact OE2-NZ 3.65Å; E100-K104 PolarHBondContact OE2-NZ 3.35Å; D101-K104 PolarHBondContact O-N 3.44Å; K104-H107 PolarHBondContact O-N 3.5Å; K104-L108 WeakPolarHBondContact O-CB 2.98Å; K104-L108 WeakPolarHBondContact O-CD1 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.49Å; K104-L108 PolarHBondContact O-N 2.84Å; K104-Y246 HydrophobicContact CD-CE2 4.43Å |
| 105 | Y | 72.8 | Confident | 69.8 | Low | 21 Ų | 21 | 72 Ų | 72 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 176.3 | -62.4 | -33.9 | 0 | 0 | 0 | 112.5 | I97 D101 R102 E103 L108 L109 D218 V219 Y246 K250 | I97-Y105 HydrophobicContact CG2-CD2 4.3Å; I97-Y105 HydrophobicContact CG2-CE2 3.82Å; D101-Y105 HydrophobicContact CB-CE2 4.02Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD2 3.37Å; D101-Y105 PolarHBondContact O-N 3.3Å; R102-Y105 PolarHBondContact O-N 2.74Å; E103-Y105 PolarHBondContact O-N 2.95Å; Y105-L108 PolarHBondContact O-N 2.58Å; Y105-L109 WeakPolarHBondContact O-CB 3.22Å; Y105-L109 VanDerWaalsContact O-CG 3.29Å; Y105-L109 WeakPolarHBondContact O-CG 3.01Å; Y105-L109 PolarHBondContact O-N 3.38Å; Y105-D218 PolarHBondContact OH-O 3.16Å; Y105-V219 VanDerWaalsContact CE1-O 3.28Å; Y105-V219 WeakPolarHBondContact CE1-O 3.45Å; Y105-V219 WeakPolarHBondContact OH-CA 3.44Å; Y105-V219 PolarHBondContact OH-O 2.89Å; Y105-Y246 HydrophobicContact CD1-CE1 4.38Å; Y105-Y246 HydrophobicContact CE1-CD1 4.08Å; Y105-Y246 AromaticContact CE1-CE1 3.61Å; Y105-Y246 HydrophobicContact CE1-CE1 3.61Å; Y105-K250 PolarHBondContact OH-NZ 3.02Å |
| 106 | S | 75 | Confident | 71.7 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.1 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | R102 E103 S110 | R102-S106 PolarHBondContact O-N 2.8Å; E103-S106 PolarHBondContact O-N 3.4Å; E103-S106 PolarHBondContact O-OG 3.3Å; S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.28Å |
| 107 | H | 77.7 | Confident | 73.5 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -50 | 172.7 | -175.4 | -92.9 | 0 | 0 | 0 | 111.6 | E103 K104 L109 S110 L111 | E103-H107 PolarHBondContact O-N 3.01Å; K104-H107 PolarHBondContact O-N 3.5Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.92Å; H107-S110 WeakPolarHBondContact O-CB 3.37Å; H107-S110 PolarHBondContact O-N 3.21Å; H107-S110 PolarHBondContact O-OG 2.77Å; H107-L111 PolarHBondContact O-N 2.7Å |
| 108 | L | 75.6 | Confident | 75.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -29.9 | -179 | -70.6 | 167.9 | 0 | 0 | 0 | 113.5 | K104 Y105 L111 N240 A242 C243 Y246 | K104-L108 WeakPolarHBondContact O-CB 2.98Å; K104-L108 WeakPolarHBondContact O-CD1 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.49Å; K104-L108 PolarHBondContact O-N 2.84Å; Y105-L108 PolarHBondContact O-N 2.58Å; L108-L111 HydrophobicContact CD2-CD1 4.11Å; L108-N240 PolarHBondContact O-ND2 2.99Å; L108-A242 HydrophobicContact CD2-CB 3.74Å; L108-C243 PolarHBondContact O-SG 3.09Å; L108-Y246 HydrophobicContact CD1-CD1 3.95Å; L108-Y246 HydrophobicContact CD1-CD2 4.01Å; L108-Y246 HydrophobicContact CD1-CG 3.6Å |
| 109 | L | 74.5 | Confident | 76.5 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -80.1 | -21.4 | 171.7 | -72.7 | 172.3 | 0 | 0 | 0 | 113.7 | Y105 H107 L111 P221 Y239 | Y105-L109 WeakPolarHBondContact O-CB 3.22Å; Y105-L109 VanDerWaalsContact O-CG 3.29Å; Y105-L109 WeakPolarHBondContact O-CG 3.01Å; Y105-L109 PolarHBondContact O-N 3.38Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.92Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-P221 HydrophobicContact CD1-CG 4.1Å; L109-P221 HydrophobicContact CD2-CB 4.33Å; L109-P221 HydrophobicContact CD2-CG 3.75Å; L109-P221 HydrophobicContact CG-CG 4.01Å; L109-Y239 HydrophobicContact CD2-CD1 3.96Å; L109-Y239 HydrophobicContact CD2-CG 4.42Å |
| 110 | S | 74.9 | Confident | 77.8 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 52% | 0.524 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.5 | -15.8 | 173 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | S106 H107 | S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.28Å; H107-S110 WeakPolarHBondContact O-CB 3.37Å; H107-S110 PolarHBondContact O-N 3.21Å; H107-S110 PolarHBondContact O-OG 2.77Å |
| 111 | L | 77.1 | Confident | 78.9 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -67.2 | 149.5 | 170.7 | -53.9 | 178.1 | 0 | 0 | 0 | 110.2 | H107 L108 L109 F143 N240 A242 | H107-L111 PolarHBondContact O-N 2.7Å; L108-L111 HydrophobicContact CD2-CD1 4.11Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L111-F143 HydrophobicContact CD2-CE1 3.5Å; L111-F143 HydrophobicContact CD2-CE2 4.31Å; L111-F143 HydrophobicContact CD2-CZ 3.31Å; L111-N240 PolarHBondContact O-ND2 2.94Å; L111-A242 HydrophobicContact CD1-CB 3.35Å |
| 112 | P | 76.4 | Confident | 79.7 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 16% | 0.156 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 149.4 | -172.4 | 28.1 | -36.3 | 0 | 0 | 0 | 113.6 | F143 A163 F164 N240 | P112-F143 HydrophobicContact CG-CB 4.04Å; P112-F143 HydrophobicContact CG-CD1 4.28Å; P112-F143 HydrophobicContact CG-CG 4.04Å; P112-A163 HydrophobicContact CG-CB 4.31Å; P112-F164 WeakPolarHBondContact CB-O 3.49Å; P112-F164 WeakPolarHBondContact CG-O 3.34Å; P112-N240 PolarHBondContact O-OD1 2.75Å |
| 113 | P | 76.2 | Confident | 80.6 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 149.2 | -173.8 | 13.7 | -23.7 | 0 | 0 | 0 | 113.6 | G115 S116 Y239 N240 | P113-G115 PolarHBondContact O-N 3.29Å; P113-S116 WeakPolarHBondContact CD-OG 3.39Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.24Å; P113-S116 WeakPolarHBondContact O-CB 3.26Å; P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 2.82Å; P113-Y239 HydrophobicContact CB-CE1 4.48Å; P113-Y239 HydrophobicContact CB-CE2 3.82Å; P113-N240 WeakPolarHBondContact CA-OD1 3.45Å |
| 114 | H | 75.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 38 Ų | 38 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 132.3 | 171 | 166.4 | 68.9 | 0 | 0 | 0 | 112 | T194 N196 Y239 N240 | H114-T194 PolarHBondContact CE1-O 3.44Å; H114-T194 PolarHBondContact CE1-OG1 3.27Å; H114-T194 PolarHBondContact ND1-O 2.68Å; H114-T194 PolarHBondContact ND1-OG1 2.87Å; H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 PolarHBondContact CD2-ND2 2.87Å; H114-N196 VanDerWaalsContact CD2-ND2 3.35Å; H114-Y239 VanDerWaalsContact CB-O 3.24Å; H114-Y239 WeakPolarHBondContact CB-O 3.33Å; H114-Y239 PolarHBondContact N-O 3.3Å; H114-N240 PolarHBondContact N-OD1 3.49Å |
| 115 | G | 78.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -1.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P113 E117 L191 | P113-G115 PolarHBondContact O-N 3.29Å; G115-E117 VanDerWaalsContact C-N 3.28Å; G115-L191 WeakPolarHBondContact O-CD2 3.38Å |
| 116 | S | 84.5 | Confident | 82 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | trans | -84.1 | -0 | 170.4 | -42.3 | 0 | 0 | 0 | 0 | 113.6 | P113 F164 K167 A170 | P113-S116 WeakPolarHBondContact CD-OG 3.39Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.24Å; P113-S116 WeakPolarHBondContact O-CB 3.26Å; P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 2.82Å; S116-F164 WeakPolarHBondContact CB-O 3.38Å; S116-F164 PolarHBondContact O-N 3.41Å; S116-K167 PolarHBondContact OG-N 2.93Å; S116-K167 VanDerWaalsContact OG-N 3.07Å; S116-A170 WeakPolarHBondContact O-CB 3.48Å | ||
| 117 | E | 87.9 | Confident | 82.4 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.3 | 178.3 | -168.5 | -169.6 | 115.1 | 0 | 0 | 110.8 | G115 F161 V162 A163 S192 T194 | G115-E117 VanDerWaalsContact C-N 3.28Å; E117-F161 HydrophobicContact CG-CB 4.22Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.32Å; E117-V162 CarbonylContact C-O 3.54Å; E117-V162 WeakPolarHBondContact CA-O 3.37Å; E117-A163 HydrophobicContact CG-CB 4.41Å; E117-S192 VanDerWaalsContact O-CB 3.25Å; E117-S192 WeakPolarHBondContact O-CB 3.25Å; E117-S192 PolarHBondContact O-N 2.83Å; E117-S192 WeakPolarHBondContact OE1-CB 3.13Å; E117-S192 PolarHBondContact OE1-OG 3Å; E117-T194 HydrophobicContact CB-CG2 4.11Å; E117-T194 HydrophobicContact CG-CG2 4.36Å; E117-T194 WeakPolarHBondContact OE1-CG2 3.3Å; E117-T194 WeakPolarHBondContact OE2-CG2 3.29Å |
| 118 | V | 90.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.8 | 179.8 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | I120 F161 V162 F164 A170 I174 C189 S190 | V118-I120 HydrophobicContact CG1-CG1 3.97Å; V118-F161 CarbonylContact O-C 3.51Å; V118-F161 WeakPolarHBondContact O-CA 3.35Å; V118-V162 PolarHBondContact N-O 3.02Å; V118-V162 PolarHBondContact O-N 2.77Å; V118-F164 HydrophobicContact CB-CE2 4.14Å; V118-F164 HydrophobicContact CG2-CD2 3.85Å; V118-F164 HydrophobicContact CG2-CE2 3.65Å; V118-A170 HydrophobicContact CG2-CB 3.73Å; V118-A170 WeakPolarHBondContact CG2-O 3.16Å; V118-I174 HydrophobicContact CB-CG1 4.44Å; V118-I174 HydrophobicContact CG1-CD1 4.35Å; V118-I174 HydrophobicContact CG1-CG1 3.69Å; V118-I174 HydrophobicContact CG2-CD1 4.05Å; V118-I174 HydrophobicContact CG2-CG1 3.93Å; V118-C189 HydrophobicContact CG1-CB 4.11Å; V118-S190 CarbonylContact C-O 3.5Å; V118-S190 WeakPolarHBondContact CA-O 3.34Å; V118-S190 WeakPolarHBondContact CG1-O 3.37Å |
| 119 | F | 91.3 | Very high | 83.5 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.8 | 163.8 | 170.4 | -93.3 | 0 | 0 | 0 | 109.1 | Y159 F161 C189 S190 | F119-Y159 HydrophobicContact CD2-CD2 4.26Å; F119-Y159 AromaticContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CE2 4.4Å; F119-Y159 AromaticContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CZ-CD2 4.49Å; F119-Y159 HydrophobicContact CZ-CG 4.19Å; F119-F161 HydrophobicContact CB-CD1 4.17Å; F119-F161 HydrophobicContact CB-CE1 4.06Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.64Å; F119-F161 HydrophobicContact CD2-CE1 3.64Å; F119-F161 AromaticContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CE2-CZ 4.43Å; F119-F161 HydrophobicContact CG-CE1 4.34Å; F119-C189 CarbonylContact O-C 3.58Å; F119-C189 VanDerWaalsContact O-CA 3.31Å; F119-C189 WeakPolarHBondContact O-CA 3.38Å; F119-S190 PolarHBondContact N-O 3.25Å; F119-S190 PolarHBondContact O-N 3.22Å |
| 120 | I | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 102.9 | 174.9 | -53 | -176.2 | 0 | 0 | 0 | 108.1 | V118 L123 Y159 A160 V162 L177 I187 | V118-I120 HydrophobicContact CG1-CG1 3.97Å; I120-L123 HydrophobicContact CG2-CD2 3.86Å; I120-L123 HydrophobicContact CG2-CG 4.39Å; I120-Y159 CarbonylContact O-C 3.48Å; I120-Y159 WeakPolarHBondContact O-CA 3.35Å; I120-A160 PolarHBondContact N-O 2.97Å; I120-A160 PolarHBondContact O-N 2.86Å; I120-V162 HydrophobicContact CD1-CB 4.45Å; I120-V162 HydrophobicContact CD1-CG2 3.63Å; I120-V162 HydrophobicContact CG1-CG2 4.35Å; I120-L177 HydrophobicContact CD1-CD1 4.5Å; I120-I187 HydrophobicContact CG2-CB 4.19Å; I120-I187 HydrophobicContact CG2-CD1 4.25Å |
| 121 | G | 90.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G158 I187 R188 | G121-G158 CarbonylContact C-O 3.52Å; G121-I187 CarbonylContact O-C 3.53Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; G121-R188 PolarHBondContact N-O 3.49Å; G121-R188 PolarHBondContact O-N 3.09Å |
| 122 | G | 86.8 | Confident | 85.5 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 85.8 | 5.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G158 K185 | G122-G158 PolarHBondContact N-O 3.25Å; G122-K185 WeakPolarHBondContact O-CB 3.22Å; G122-K185 VanDerWaalsContact O-CD 3.29Å; G122-K185 WeakPolarHBondContact O-CD 3.15Å |
| 123 | L | 88.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -65.3 | 142.6 | -172.7 | -58.6 | 178.1 | 0 | 0 | 0 | 112.7 | I120 V127 L132 L147 G158 A160 I187 | I120-L123 HydrophobicContact CG2-CD2 3.86Å; I120-L123 HydrophobicContact CG2-CG 4.39Å; L123-V127 HydrophobicContact CD1-CG1 4.37Å; L123-V127 HydrophobicContact CD2-CG1 4.42Å; L123-L132 HydrophobicContact CD1-CD1 3.9Å; L123-L132 HydrophobicContact CD1-CD2 3.88Å; L123-L132 HydrophobicContact CD1-CG 4.45Å; L123-L132 HydrophobicContact CD2-CD2 3.8Å; L123-L147 HydrophobicContact CD1-CD1 4.23Å; L123-G158 PolarHBondContact N-O 3.39Å; L123-G158 WeakPolarHBondContact O-CA 3.49Å; L123-A160 HydrophobicContact CD1-CB 3.82Å; L123-I187 HydrophobicContact CD2-CG2 3.82Å | ||
| 124 | P | 83.4 | Confident | 86.9 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | trans | -61 | 160.8 | 160.9 | -12 | 21 | 0 | 0 | 0 | 111.9 | D126 V127 K183 K185 | P124-D126 PolarHBondContact O-N 2.98Å; P124-V127 HydrophobicContact CB-CG2 4.23Å; P124-V127 HydrophobicContact CG-CG2 3.87Å; P124-K183 HydrophobicContact CG-CB 4Å; P124-K185 HydrophobicContact CB-CD 4.36Å; P124-K185 HydrophobicContact CG-CB 4.36Å; P124-K185 HydrophobicContact CG-CD 4.08Å; P124-K185 HydrophobicContact CG-CG 4.13Å | ||
| 125 | R | 83.3 | Confident | 87.5 | Confident | 156 Ų | 156 | 48.7 Ų | 48.7 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.4 | 173.9 | -68 | 176.4 | 176.5 | -148.8 | 3.9 | 111.4 | V127 D155 | R125-V127 PolarHBondContact O-N 2.89Å; R125-D155 WeakPolarHBondContact CD-OD1 3.38Å; R125-D155 IonicContact CZ-OD1 3.84Å; R125-D155 IonicContact CZ-OD2 3.26Å; R125-D155 IonicContact NE-OD1 2.7Å; R125-D155 IonicContact NH1-OD1 3.57Å; R125-D155 PolarHBondContact NH1-OD1 3.11Å; R125-D155 IonicContact NH1-OD2 3.18Å; R125-D155 PolarHBondContact NH1-OD2 3.29Å |
| 126 | D | 83.2 | Confident | 87.9 | Confident | 131 Ų | 131 | 48.4 Ų | 48.4 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 16.1 | -179.4 | -35.8 | -85.2 | 0 | 0 | 0 | 113.9 | P124 K183 | P124-D126 PolarHBondContact O-N 2.98Å; D126-K183 PolarHBondContact O-NZ 2.53Å |
| 127 | V | 84.8 | Confident | 88.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | trans | -99.8 | 120.7 | 172.2 | 168 | 0 | 0 | 0 | 0 | 109 | L123 P124 R125 D131 L132 L147 S156 F182 K183 | L123-V127 HydrophobicContact CD1-CG1 4.37Å; L123-V127 HydrophobicContact CD2-CG1 4.42Å; P124-V127 HydrophobicContact CB-CG2 4.23Å; P124-V127 HydrophobicContact CG-CG2 3.87Å; R125-V127 PolarHBondContact O-N 2.89Å; V127-D131 WeakPolarHBondContact CA-OD2 3.44Å; V127-D131 HydrophobicContact CG1-CB 3.99Å; V127-L132 HydrophobicContact CG1-CD1 4.17Å; V127-L132 HydrophobicContact CG1-CD2 3.86Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; V127-L147 VanDerWaalsContact O-CD2 3.27Å; V127-L147 WeakPolarHBondContact O-CD2 3.34Å; V127-S156 PolarHBondContact O-OG 3.37Å; V127-F182 HydrophobicContact CG1-CE1 4.18Å; V127-F182 HydrophobicContact CG2-CD1 3.91Å; V127-F182 HydrophobicContact CG2-CE1 3.74Å; V127-K183 HydrophobicContact CG2-CD 3.86Å; V127-K183 HydrophobicContact CG2-CG 4.44Å | ||
| 128 | G | 86.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | trans | -87.3 | -177.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D131 | G128-D131 PolarHBondContact N-OD2 3.19Š| ||
| 129 | E | 89.8 | Confident | 88 | Confident | 109 Ų | 109 | 57.6 Ų | 57.6 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 174.5 | -162.3 | 177.2 | 118.1 | 0 | 0 | 111.2 | L132 R133 V145 | E129-L132 PolarHBondContact O-N 2.74Å; E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 PolarHBondContact O-N 2.97Å; E129-V145 HydrophobicContact CG-CB 3.7Å; E129-V145 HydrophobicContact CG-CG1 3.53Å |
| 130 | E | 89.9 | Confident | 87.8 | Confident | 155 Ų | 155 | 55.5 Ų | 55.5 | 72% | 0.724 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.6 | -47.2 | 176.4 | -61.1 | 172 | 167.1 | 0 | 0 | 111.7 | L132 R133 D134 | E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 2.93Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-R133 VanDerWaalsContact O-N 3.12Å; E130-D134 PolarHBondContact O-N 2.93Å |
| 131 | D | 89.5 | Confident | 87.7 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.7 | -39.5 | 175.7 | -71.9 | -67.8 | 0 | 0 | 0 | 113.3 | V127 G128 L135 F182 K183 | V127-D131 WeakPolarHBondContact CA-OD2 3.44Å; V127-D131 HydrophobicContact CG1-CB 3.99Å; G128-D131 PolarHBondContact N-OD2 3.19Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.39Å; D131-F182 HydrophobicContact CB-CE1 4.08Å; D131-F182 HydrophobicContact CB-CZ 4.02Å; D131-K183 WeakPolarHBondContact OD1-CE 3.36Å; D131-K183 IonicContact OD1-NZ 3.15Å; D131-K183 PolarHBondContact OD1-NZ 2.7Å; D131-K183 IonicContact OD2-NZ 2.78Å; D131-K183 PolarHBondContact OD2-NZ 3.46Å |
| 132 | L | 89.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.7 | -36.1 | 180 | -66.1 | 170.2 | 0 | 0 | 0 | 111.5 | L123 V127 E129 E130 C136 V145 L147 A160 | L123-L132 HydrophobicContact CD1-CD1 3.9Å; L123-L132 HydrophobicContact CD1-CD2 3.88Å; L123-L132 HydrophobicContact CD1-CG 4.45Å; L123-L132 HydrophobicContact CD2-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CD1 4.17Å; V127-L132 HydrophobicContact CG1-CD2 3.86Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; E129-L132 PolarHBondContact O-N 2.74Å; E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 2.93Å; L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.41Å; L132-C136 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-SG 2.66Å; L132-V145 HydrophobicContact CB-CG1 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.32Å; L132-L147 HydrophobicContact CD1-CD1 4.23Å; L132-A160 HydrophobicContact CD1-CB 3.38Å |
| 133 | R | 91.2 | Very high | 87.7 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 39% | 0.389 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 175.1 | -168.4 | -171.3 | 164.9 | -65.4 | -20.5 | 109.8 | E129 E130 L135 C136 E137 I142 V145 | E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-R133 VanDerWaalsContact O-N 3.12Å; R133-L135 PolarHBondContact O-N 2.94Å; R133-C136 PolarHBondContact O-N 2.82Å; R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact CZ-OE2 3.27Å; R133-E137 VanDerWaalsContact CZ-OE2 3.27Å; R133-E137 IonicContact NH1-OE1 3.78Å; R133-E137 IonicContact NH1-OE2 2.66Å; R133-E137 PolarHBondContact NH1-OE2 2.98Å; R133-E137 VanDerWaalsContact NH2-CD 3.26Å; R133-E137 IonicContact NH2-OE1 2.79Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 IonicContact NH2-OE2 2.85Å; R133-E137 PolarHBondContact NH2-OE2 2.96Å; R133-E137 VanDerWaalsContact NH2-OE2 3.15Å; R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; R133-I142 HydrophobicContact CB-CD1 4.4Å; R133-I142 HydrophobicContact CG-CD1 3.92Å; R133-I142 WeakPolarHBondContact O-CD1 3.18Å; R133-V145 HydrophobicContact CB-CG2 4.19Å; R133-V145 HydrophobicContact CG-CG2 4.4Å |
| 134 | D | 90.4 | Very high | 87.6 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 179.3 | -66.7 | -2.8 | 0 | 0 | 0 | 111.7 | E130 C136 E138 | E130-D134 PolarHBondContact O-N 2.93Å; D134-C136 VanDerWaalsContact C-N 3.32Å; D134-C136 PolarHBondContact O-N 2.9Å; D134-E138 PolarHBondContact O-N 3.3Å |
| 135 | L | 87.8 | Confident | 87.9 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 177.2 | 179.6 | 64.1 | 0 | 0 | 0 | 113.6 | D131 R133 L177 K180 F182 I187 | D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.39Å; R133-L135 PolarHBondContact O-N 2.94Å; L135-L177 HydrophobicContact CD1-CD2 3.78Å; L135-L177 HydrophobicContact CD2-CD2 4.27Å; L135-L177 HydrophobicContact CG-CD1 4.34Å; L135-L177 HydrophobicContact CG-CD2 3.87Å; L135-K180 HydrophobicContact CD1-CD 4.3Å; L135-F182 HydrophobicContact CB-CE2 4.26Å; L135-F182 HydrophobicContact CB-CZ 4.39Å; L135-F182 HydrophobicContact CD1-CD2 4.25Å; L135-F182 HydrophobicContact CD1-CE2 4.16Å; L135-F182 HydrophobicContact CD2-CD1 4.39Å; L135-F182 HydrophobicContact CD2-CD2 3.85Å; L135-F182 HydrophobicContact CD2-CE1 4.43Å; L135-F182 HydrophobicContact CD2-CE2 3.9Å; L135-F182 HydrophobicContact CD2-CG 4.11Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.34Å; L135-I187 HydrophobicContact CD2-CD1 3.74Å |
| 136 | C | 87.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -93 | -26 | -177.5 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | L132 R133 D134 E138 I139 G140 I142 V162 F164 | L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.41Å; L132-C136 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-SG 2.66Å; R133-C136 PolarHBondContact O-N 2.82Å; D134-C136 VanDerWaalsContact C-N 3.32Å; D134-C136 PolarHBondContact O-N 2.9Å; C136-E138 PolarHBondContact O-N 2.91Å; C136-I139 WeakPolarHBondContact O-CB 3.48Å; C136-I139 PolarHBondContact O-N 2.93Å; C136-G140 PolarHBondContact O-N 2.91Å; C136-G140 VanDerWaalsContact O-N 3.16Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.96Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; C136-F164 HydrophobicContact CB-CE1 3.87Å; C136-F164 HydrophobicContact CB-CZ 3.66Å |
| 137 | E | 89.7 | Confident | 88.5 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -22.6 | 176.4 | -171.1 | 164.6 | -133 | 0 | 0 | 111.9 | R133 I139 I142 | R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact CZ-OE2 3.27Å; R133-E137 VanDerWaalsContact CZ-OE2 3.27Å; R133-E137 IonicContact NH1-OE1 3.78Å; R133-E137 IonicContact NH1-OE2 2.66Å; R133-E137 PolarHBondContact NH1-OE2 2.98Å; R133-E137 VanDerWaalsContact NH2-CD 3.26Å; R133-E137 IonicContact NH2-OE1 2.79Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 IonicContact NH2-OE2 2.85Å; R133-E137 PolarHBondContact NH2-OE2 2.96Å; R133-E137 VanDerWaalsContact NH2-OE2 3.15Å; R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; E137-I139 PolarHBondContact O-N 2.86Å; E137-I142 HydrophobicContact CB-CD1 4.28Å |
| 138 | E | 88.1 | Confident | 88.7 | Confident | 131 Ų | 131 | 66.5 Ų | 66.5 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.6 | 164.5 | 179.4 | 170.5 | -120.6 | 0 | 0 | 112.6 | D134 C136 K180 | D134-E138 PolarHBondContact O-N 3.3Å; C136-E138 PolarHBondContact O-N 2.91Å; E138-K180 IonicContact OE2-NZ 3.98Å; E138-K180 PolarHBondContact OE2-NZ 2.82Å |
| 139 | I | 87 | Confident | 88.8 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -32.9 | -170.5 | -61.2 | 168.6 | 0 | 0 | 0 | 112.2 | C136 E137 K172 A173 E176 L177 | C136-I139 WeakPolarHBondContact O-CB 3.48Å; C136-I139 PolarHBondContact O-N 2.93Å; E137-I139 PolarHBondContact O-N 2.86Å; I139-K172 HydrophobicContact CG2-CB 4.39Å; I139-K172 HydrophobicContact CG2-CD 4.18Å; I139-K172 HydrophobicContact CG2-CG 4.02Å; I139-A173 HydrophobicContact CD1-CB 4.29Å; I139-A173 HydrophobicContact CG2-CB 3.92Å; I139-E176 HydrophobicContact CD1-CB 4.28Å; I139-E176 HydrophobicContact CD1-CG 4.26Å; I139-L177 HydrophobicContact CD1-CD1 3.77Å; I139-L177 HydrophobicContact CD1-CD2 3.61Å; I139-L177 HydrophobicContact CD1-CG 3.43Å; I139-L177 VanDerWaalsContact CD1-CG 3.43Å |
| 140 | G | 86.9 | Confident | 88.5 | Confident | 20 Ų | 20 | 68 Ų | 68 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 167.7 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C136 I142 | C136-G140 PolarHBondContact O-N 2.91Å; C136-G140 VanDerWaalsContact O-N 3.16Å; G140-I142 PolarHBondContact O-N 3.43Å |
| 141 | E | 88.5 | Confident | 88 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | trans | -64.6 | 116.1 | -173.7 | -67.7 | -178.1 | -160.5 | 0 | 0 | 112.9 | K165 | E141-K165 HydrophobicContact CB-CB 4.2Å; E141-K165 HydrophobicContact CB-CD 4.14Å; E141-K165 PolarHBondContact O-N 2.81Å; E141-K165 IonicContact OE1-NZ 2.66Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 WeakPolarHBondContact OE2-CE 3.48Å; E141-K165 IonicContact OE2-NZ 2.73Å; E141-K165 PolarHBondContact OE2-NZ 3.31Å | ||
| 142 | I | 89.7 | Confident | 87.6 | Confident | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 138.5 | 173.4 | -52.7 | 167.9 | 0 | 0 | 0 | 109.6 | R133 C136 E137 G140 V145 V162 F164 | R133-I142 HydrophobicContact CB-CD1 4.4Å; R133-I142 HydrophobicContact CG-CD1 3.92Å; R133-I142 WeakPolarHBondContact O-CD1 3.18Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.96Å; E137-I142 HydrophobicContact CB-CD1 4.28Å; G140-I142 PolarHBondContact O-N 3.43Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.72Å; I142-V162 HydrophobicContact CD1-CG1 4.49Å; I142-V162 HydrophobicContact CG1-CG1 4.26Å; I142-V162 HydrophobicContact CG2-CG1 3.83Å; I142-F164 HydrophobicContact CG1-CD1 4.19Å; I142-F164 HydrophobicContact CG1-CE1 3.99Å |
| 143 | F | 86.2 | Confident | 87.1 | Confident | 97 Ų | 97 | 77.9 Ų | 77.9 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -48.3 | 172.2 | -173.7 | -86.2 | 0 | 0 | 0 | 112.3 | L111 P112 A163 | L111-F143 HydrophobicContact CD2-CE1 3.5Å; L111-F143 HydrophobicContact CD2-CE2 4.31Å; L111-F143 HydrophobicContact CD2-CZ 3.31Å; P112-F143 HydrophobicContact CG-CB 4.04Å; P112-F143 HydrophobicContact CG-CD1 4.28Å; P112-F143 HydrophobicContact CG-CG 4.04Å; F143-A163 WeakPolarHBondContact CA-O 3.24Å; F143-A163 HydrophobicContact CB-CB 4.45Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 2.85Å |
| 144 | E | 87.8 | Confident | 86.4 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.2 | -179.9 | -175.3 | -177.6 | 152.8 | 0 | 0 | 110.2 | A163 | E144-A163 HydrophobicContact CB-CB 4.14Å; E144-A163 PolarHBondContact N-O 2.92Å; E144-A163 PolarHBondContact O-N 2.82Å |
| 145 | V | 89.9 | Confident | 85.8 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134 | 166.8 | -174.6 | 0 | 0 | 0 | 0 | 108 | E129 L132 R133 I142 V162 | E129-V145 HydrophobicContact CG-CB 3.7Å; E129-V145 HydrophobicContact CG-CG1 3.53Å; L132-V145 HydrophobicContact CB-CG1 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.32Å; R133-V145 HydrophobicContact CB-CG2 4.19Å; R133-V145 HydrophobicContact CG-CG2 4.4Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.72Å; V145-V162 HydrophobicContact CG1-CG2 4.31Å |
| 146 | R | 88.6 | Confident | 85.5 | Confident | 137 Ų | 137 | 72.4 Ų | 72.4 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 88.9 | -178.6 | -173.7 | 172.2 | 176.2 | 175 | -0.3 | 111 | M148 A160 F161 | R146-M148 HydrophobicContact CG-CE 4.22Å; R146-M148 HydrophobicContact CG-SD 4.4Å; R146-M148 VanDerWaalsContact NE-CE 3.34Å; R146-M148 PolarHBondContact O-N 2.83Å; R146-A160 WeakPolarHBondContact O-CA 3.37Å; R146-F161 HydrophobicContact CB-CB 4.44Å; R146-F161 PolarHBondContact N-O 2.85Å; R146-F161 PolarHBondContact O-N 2.9Å |
| 147 | L | 90.1 | Very high | 85.4 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 115 | 173.8 | 176.5 | 58.9 | 0 | 0 | 0 | 110.3 | L123 V127 L132 K149 A160 | L123-L147 HydrophobicContact CD1-CD1 4.23Å; V127-L147 VanDerWaalsContact O-CD2 3.27Å; V127-L147 WeakPolarHBondContact O-CD2 3.34Å; L132-L147 HydrophobicContact CD1-CD1 4.23Å; L147-K149 VanDerWaalsContact CD2-CE 3.5Å; L147-K149 HydrophobicContact CG-CG 4.31Å; L147-K149 PolarHBondContact O-N 2.83Å; L147-A160 HydrophobicContact CB-CB 4.44Å; L147-A160 HydrophobicContact CD1-CB 4.06Å |
| 148 | M | 88.5 | Confident | 85.2 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.1 | -179.5 | -68.9 | -67 | -166.9 | 0 | 0 | 109.9 | R146 K157 Y159 F161 | R146-M148 HydrophobicContact CG-CE 4.22Å; R146-M148 HydrophobicContact CG-SD 4.4Å; R146-M148 VanDerWaalsContact NE-CE 3.34Å; R146-M148 PolarHBondContact O-N 2.83Å; M148-K157 WeakPolarHBondContact O-CB 3.19Å; M148-K157 WeakPolarHBondContact O-CG 3.4Å; M148-K157 PolarHBondContact O-N 3.01Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE2 3.61Å; M148-Y159 HydrophobicContact CG-CD2 4.02Å; M148-Y159 HydrophobicContact CG-CE2 3.59Å; M148-Y159 PolarHBondContact N-O 3.44Å; M148-F161 HydrophobicContact CE-CD2 3.74Å; M148-F161 HydrophobicContact CE-CE2 3.61Å; M148-F161 HydrophobicContact CG-CD2 4Å; M148-F161 HydrophobicContact CG-CE2 3.88Å |
| 149 | K | 88.2 | Confident | 85.4 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153 | 175 | -61.5 | -175.9 | -179.9 | 177.7 | 0 | 110.7 | L147 D155 K157 | L147-K149 VanDerWaalsContact CD2-CE 3.5Å; L147-K149 HydrophobicContact CG-CG 4.31Å; L147-K149 PolarHBondContact O-N 2.83Å; K149-D155 CarbonylContact C-O 3.53Å; K149-D155 WeakPolarHBondContact CA-O 3.29Å; K149-K157 VanDerWaalsContact O-CE 3.29Å; K149-K157 WeakPolarHBondContact O-CE 3.45Å |
| 150 | D | 84.9 | Confident | 85.6 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | trans | -77.4 | 136.3 | 171 | -168.3 | 58.7 | 0 | 0 | 0 | 111.2 | D152 S153 G154 D155 K157 | D150-D152 VanDerWaalsContact C-N 3.29Å; D150-D152 PolarHBondContact O-N 3.44Å; D150-D152 PolarHBondContact OD2-N 3.07Å; D150-D152 VanDerWaalsContact OD2-N 3.1Å; D150-S153 PolarHBondContact OD2-N 2.95Å; D150-S153 VanDerWaalsContact OD2-N 3.09Å; D150-G154 WeakPolarHBondContact O-CA 3.29Å; D150-G154 PolarHBondContact O-N 3.14Å; D150-D155 PolarHBondContact N-O 3.41Å; D150-K157 HydrophobicContact CB-CG 4.12Å; D150-K157 WeakPolarHBondContact OD1-CE 3.32Å; D150-K157 IonicContact OD1-NZ 3.72Å; D150-K157 PolarHBondContact OD1-NZ 2.65Å | ||
| 151 | R | 79.5 | Confident | 85.8 | Confident | 211 Ų | 211 | 70.9 Ų | 70.9 | 80% | 0.796 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -32.6 | -175.5 | -173.9 | -166.1 | 62.7 | -152.9 | -15.1 | 111 | ||
| 152 | D | 79.4 | Confident | 85.9 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -30.5 | -164.8 | -55.3 | -35.2 | 0 | 0 | 0 | 111.2 | D150 | D150-D152 VanDerWaalsContact C-N 3.29Å; D150-D152 PolarHBondContact O-N 3.44Å; D150-D152 PolarHBondContact OD2-N 3.07Å; D150-D152 VanDerWaalsContact OD2-N 3.1Å |
| 153 | S | 78.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -23.1 | 169.2 | -156 | 0 | 0 | 0 | 0 | 114.8 | D150 D155 | D150-S153 PolarHBondContact OD2-N 2.95Å; D150-S153 VanDerWaalsContact OD2-N 3.09Å; S153-D155 VanDerWaalsContact CB-OD2 3.3Å; S153-D155 WeakPolarHBondContact CB-OD2 3.33Å; S153-D155 PolarHBondContact O-N 3.46Å; S153-D155 PolarHBondContact OG-OD2 3.31Å |
| 154 | G | 77.6 | Confident | 86.1 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | trans | 77.2 | -14.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | D150 | D150-G154 WeakPolarHBondContact O-CA 3.29Å; D150-G154 PolarHBondContact O-N 3.14Å | ||
| 155 | D | 78 | Confident | 86 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -56.8 | 146.9 | 174.3 | -73.3 | -69.6 | 0 | 0 | 0 | 113 | R125 K149 D150 S153 K157 | R125-D155 WeakPolarHBondContact CD-OD1 3.38Å; R125-D155 IonicContact CZ-OD1 3.84Å; R125-D155 IonicContact CZ-OD2 3.26Å; R125-D155 IonicContact NE-OD1 2.7Å; R125-D155 IonicContact NH1-OD1 3.57Å; R125-D155 PolarHBondContact NH1-OD1 3.11Å; R125-D155 IonicContact NH1-OD2 3.18Å; R125-D155 PolarHBondContact NH1-OD2 3.29Å; K149-D155 CarbonylContact C-O 3.53Å; K149-D155 WeakPolarHBondContact CA-O 3.29Å; D150-D155 PolarHBondContact N-O 3.41Å; S153-D155 VanDerWaalsContact CB-OD2 3.3Å; S153-D155 WeakPolarHBondContact CB-OD2 3.33Å; S153-D155 PolarHBondContact O-N 3.46Å; S153-D155 PolarHBondContact OG-OD2 3.31Å; D155-K157 PolarHBondContact O-N 3.12Å | ||
| 156 | S | 81.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 131.1 | 165.2 | -57.9 | 0 | 0 | 0 | 0 | 111 | V127 G158 | V127-S156 PolarHBondContact O-OG 3.37Å; S156-G158 PolarHBondContact O-N 3.1Å |
| 157 | K | 84.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 60 Ų | 60 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 8.8 | -179.9 | -62.6 | -161.2 | 176.1 | -140.8 | 0 | 114.5 | M148 K149 D150 D155 Y159 | M148-K157 WeakPolarHBondContact O-CB 3.19Å; M148-K157 WeakPolarHBondContact O-CG 3.4Å; M148-K157 PolarHBondContact O-N 3.01Å; K149-K157 VanDerWaalsContact O-CE 3.29Å; K149-K157 WeakPolarHBondContact O-CE 3.45Å; D150-K157 HydrophobicContact CB-CG 4.12Å; D150-K157 WeakPolarHBondContact OD1-CE 3.32Å; D150-K157 IonicContact OD1-NZ 3.72Å; D150-K157 PolarHBondContact OD1-NZ 2.65Å; D155-K157 PolarHBondContact O-N 3.12Å; K157-Y159 VanDerWaalsContact C-N 3.27Å; K157-Y159 HydrophobicContact CB-CD1 3.8Å; K157-Y159 HydrophobicContact CB-CE1 3.49Å; K157-Y159 VanDerWaalsContact CB-CE1 3.49Å; K157-Y159 HydrophobicContact CD-CE1 4.14Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 WeakPolarHBondContact O-CD1 3.3Å; K157-Y159 PolarHBondContact O-N 2.95Å |
| 158 | G | 86.2 | Confident | 85.7 | Confident | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.6 | 12.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G121 G122 L123 S156 | G121-G158 CarbonylContact C-O 3.52Å; G122-G158 PolarHBondContact N-O 3.25Å; L123-G158 PolarHBondContact N-O 3.39Å; L123-G158 WeakPolarHBondContact O-CA 3.49Å; S156-G158 PolarHBondContact O-N 3.1Å |
| 159 | Y | 90.6 | Very high | 85.7 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.8 | 173.8 | 66.2 | -88.9 | 0 | 0 | 0 | 113.8 | F119 I120 M148 K157 F161 | F119-Y159 HydrophobicContact CD2-CD2 4.26Å; F119-Y159 AromaticContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CE2 4.4Å; F119-Y159 AromaticContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CZ-CD2 4.49Å; F119-Y159 HydrophobicContact CZ-CG 4.19Å; I120-Y159 CarbonylContact O-C 3.48Å; I120-Y159 WeakPolarHBondContact O-CA 3.35Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE2 3.61Å; M148-Y159 HydrophobicContact CG-CD2 4.02Å; M148-Y159 HydrophobicContact CG-CE2 3.59Å; M148-Y159 PolarHBondContact N-O 3.44Å; K157-Y159 VanDerWaalsContact C-N 3.27Å; K157-Y159 HydrophobicContact CB-CD1 3.8Å; K157-Y159 HydrophobicContact CB-CE1 3.49Å; K157-Y159 VanDerWaalsContact CB-CE1 3.49Å; K157-Y159 HydrophobicContact CD-CE1 4.14Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 WeakPolarHBondContact O-CD1 3.3Å; K157-Y159 PolarHBondContact O-N 2.95Å; Y159-F161 AromaticContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CZ 4.41Å; Y159-F161 AromaticContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CZ 4.34Å |
| 160 | A | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 167.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I120 L123 L132 R146 L147 | I120-A160 PolarHBondContact N-O 2.97Å; I120-A160 PolarHBondContact O-N 2.86Å; L123-A160 HydrophobicContact CD1-CB 3.82Å; L132-A160 HydrophobicContact CD1-CB 3.38Å; R146-A160 WeakPolarHBondContact O-CA 3.37Å; L147-A160 HydrophobicContact CB-CB 4.44Å; L147-A160 HydrophobicContact CD1-CB 4.06Å |
| 161 | F | 91.3 | Very high | 86 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 18% | 0.18 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.6 | 169.1 | -61.1 | -88.2 | 0 | 0 | 0 | 109.5 | E117 V118 F119 R146 M148 Y159 S192 | E117-F161 HydrophobicContact CG-CB 4.22Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.32Å; V118-F161 CarbonylContact O-C 3.51Å; V118-F161 WeakPolarHBondContact O-CA 3.35Å; F119-F161 HydrophobicContact CB-CD1 4.17Å; F119-F161 HydrophobicContact CB-CE1 4.06Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.64Å; F119-F161 HydrophobicContact CD2-CE1 3.64Å; F119-F161 AromaticContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CE2-CZ 4.43Å; F119-F161 HydrophobicContact CG-CE1 4.34Å; R146-F161 HydrophobicContact CB-CB 4.44Å; R146-F161 PolarHBondContact N-O 2.85Å; R146-F161 PolarHBondContact O-N 2.9Å; M148-F161 HydrophobicContact CE-CD2 3.74Å; M148-F161 HydrophobicContact CE-CE2 3.61Å; M148-F161 HydrophobicContact CG-CD2 4Å; M148-F161 HydrophobicContact CG-CE2 3.88Å; Y159-F161 AromaticContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CZ 4.41Å; Y159-F161 AromaticContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CZ 4.34Å; F161-S192 VanDerWaalsContact CD1-OG 3.22Å; F161-S192 WeakPolarHBondContact CD1-OG 3.48Å; F161-S192 VanDerWaalsContact CE1-OG 3.24Å; F161-S192 WeakPolarHBondContact CE1-OG 3.38Å |
| 162 | V | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 110.7 | 178 | -178 | 0 | 0 | 0 | 0 | 108.4 | E117 V118 I120 C136 I142 V145 F164 | E117-V162 CarbonylContact C-O 3.54Å; E117-V162 WeakPolarHBondContact CA-O 3.37Å; V118-V162 PolarHBondContact N-O 3.02Å; V118-V162 PolarHBondContact O-N 2.77Å; I120-V162 HydrophobicContact CD1-CB 4.45Å; I120-V162 HydrophobicContact CD1-CG2 3.63Å; I120-V162 HydrophobicContact CG1-CG2 4.35Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; I142-V162 HydrophobicContact CD1-CG1 4.49Å; I142-V162 HydrophobicContact CG1-CG1 4.26Å; I142-V162 HydrophobicContact CG2-CG1 3.83Å; V145-V162 HydrophobicContact CG1-CG2 4.31Å; V162-F164 HydrophobicContact CB-CE2 4.17Å; V162-F164 HydrophobicContact CG1-CD2 4.14Å; V162-F164 HydrophobicContact CG1-CE1 4.32Å; V162-F164 HydrophobicContact CG1-CE2 3.67Å; V162-F164 HydrophobicContact CG1-CZ 3.8Å |
| 163 | A | 90.2 | Very high | 87 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P112 E117 F143 E144 | P112-A163 HydrophobicContact CG-CB 4.31Å; E117-A163 HydrophobicContact CG-CB 4.41Å; F143-A163 WeakPolarHBondContact CA-O 3.24Å; F143-A163 HydrophobicContact CB-CB 4.45Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 2.85Å; E144-A163 HydrophobicContact CB-CB 4.14Å; E144-A163 PolarHBondContact N-O 2.92Å; E144-A163 PolarHBondContact O-N 2.82Å |
| 164 | F | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 159.9 | 170 | -67 | -86.9 | 0 | 0 | 0 | 110.8 | P112 S116 V118 C136 I142 V162 T166 V169 A170 A173 | P112-F164 WeakPolarHBondContact CB-O 3.49Å; P112-F164 WeakPolarHBondContact CG-O 3.34Å; S116-F164 WeakPolarHBondContact CB-O 3.38Å; S116-F164 PolarHBondContact O-N 3.41Å; V118-F164 HydrophobicContact CB-CE2 4.14Å; V118-F164 HydrophobicContact CG2-CD2 3.85Å; V118-F164 HydrophobicContact CG2-CE2 3.65Å; C136-F164 HydrophobicContact CB-CE1 3.87Å; C136-F164 HydrophobicContact CB-CZ 3.66Å; I142-F164 HydrophobicContact CG1-CD1 4.19Å; I142-F164 HydrophobicContact CG1-CE1 3.99Å; V162-F164 HydrophobicContact CB-CE2 4.17Å; V162-F164 HydrophobicContact CG1-CD2 4.14Å; V162-F164 HydrophobicContact CG1-CE1 4.32Å; V162-F164 HydrophobicContact CG1-CE2 3.67Å; V162-F164 HydrophobicContact CG1-CZ 3.8Å; F164-T166 PolarHBondContact O-N 3.1Å; F164-V169 HydrophobicContact CB-CB 4.32Å; F164-V169 HydrophobicContact CB-CG1 4.08Å; F164-V169 HydrophobicContact CD1-CG1 3.43Å; F164-V169 VanDerWaalsContact CD1-CG1 3.43Å; F164-V169 HydrophobicContact CE1-CG1 4Å; F164-V169 HydrophobicContact CG-CG1 3.89Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.9Å; F164-A170 HydrophobicContact CG-CB 4.44Å; F164-A173 HydrophobicContact CD2-CB 4.47Å; F164-A173 HydrophobicContact CE1-CB 4.29Å; F164-A173 HydrophobicContact CE2-CB 3.59Å; F164-A173 HydrophobicContact CZ-CB 3.46Å; F164-A173 VanDerWaalsContact CZ-CB 3.46Å |
| 165 | K | 86.7 | Confident | 88.1 | Confident | 118 Ų | 118 | 51.3 Ų | 51.3 | 51% | 0.513 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -63.5 | -25.8 | 178.4 | -171.5 | 170.3 | 175.6 | 174.6 | 0 | 114.1 | E141 | E141-K165 HydrophobicContact CB-CB 4.2Å; E141-K165 HydrophobicContact CB-CD 4.14Å; E141-K165 PolarHBondContact O-N 2.81Å; E141-K165 IonicContact OE1-NZ 2.66Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 WeakPolarHBondContact OE2-CE 3.48Å; E141-K165 IonicContact OE2-NZ 2.73Å; E141-K165 PolarHBondContact OE2-NZ 3.31Å |
| 166 | T | 86.1 | Confident | 88.5 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -140 | 154.6 | 177.6 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | F164 D168 V169 A170 | F164-T166 PolarHBondContact O-N 3.1Å; T166-D168 VanDerWaalsContact C-N 3.29Å; T166-D168 PolarHBondContact O-N 2.79Å; T166-V169 PolarHBondContact O-N 2.66Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.05Å; T166-V169 PolarHBondContact OG1-N 2.9Å; T166-A170 PolarHBondContact O-N 2.78Å; T166-A170 VanDerWaalsContact O-N 3.14Å |
| 167 | K | 87.2 | Confident | 88.8 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 176.5 | 179.6 | 178.5 | 174.6 | -172.6 | 0 | 112.6 | S116 A170 Q171 | S116-K167 PolarHBondContact OG-N 2.93Å; S116-K167 VanDerWaalsContact OG-N 3.07Å; K167-A170 WeakPolarHBondContact O-CB 3.42Å; K167-A170 PolarHBondContact O-N 2.81Å; K167-Q171 PolarHBondContact O-N 2.93Å |
| 168 | D | 88.3 | Confident | 88.9 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 65% | 0.652 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.4 | -37.3 | -176.9 | -47.7 | -69.8 | 0 | 0 | 0 | 111.5 | T166 Q171 K172 | T166-D168 VanDerWaalsContact C-N 3.29Å; T166-D168 PolarHBondContact O-N 2.79Å; D168-Q171 PolarHBondContact O-N 3.32Å; D168-K172 WeakPolarHBondContact O-CB 3.28Å; D168-K172 PolarHBondContact O-N 3.37Å |
| 169 | V | 89.5 | Confident | 88.8 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 171.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | F164 T166 Q171 K172 A173 | F164-V169 HydrophobicContact CB-CB 4.32Å; F164-V169 HydrophobicContact CB-CG1 4.08Å; F164-V169 HydrophobicContact CD1-CG1 3.43Å; F164-V169 VanDerWaalsContact CD1-CG1 3.43Å; F164-V169 HydrophobicContact CE1-CG1 4Å; F164-V169 HydrophobicContact CG-CG1 3.89Å; T166-V169 PolarHBondContact O-N 2.66Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.05Å; T166-V169 PolarHBondContact OG1-N 2.9Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.69Å; V169-K172 PolarHBondContact O-N 2.77Å; V169-A173 WeakPolarHBondContact O-CB 3.43Å; V169-A173 PolarHBondContact O-N 3.18Å |
| 170 | A | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S116 V118 F164 T166 K167 A173 I174 | S116-A170 WeakPolarHBondContact O-CB 3.48Å; V118-A170 HydrophobicContact CG2-CB 3.73Å; V118-A170 WeakPolarHBondContact CG2-O 3.16Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.9Å; F164-A170 HydrophobicContact CG-CB 4.44Å; T166-A170 PolarHBondContact O-N 2.78Å; T166-A170 VanDerWaalsContact O-N 3.14Å; K167-A170 WeakPolarHBondContact O-CB 3.42Å; K167-A170 PolarHBondContact O-N 2.81Å; A170-A173 PolarHBondContact O-N 2.74Å; A170-I174 WeakPolarHBondContact O-CD1 3.36Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3Å; A170-I174 VanDerWaalsContact O-N 3.11Å |
| 171 | Q | 89.1 | Confident | 88.3 | Confident | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 175 | -171.5 | 179.8 | -41.3 | 0 | 0 | 111.6 | K167 D168 V169 A173 I174 E175 | K167-Q171 PolarHBondContact O-N 2.93Å; D168-Q171 PolarHBondContact O-N 3.32Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.69Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.15Å; Q171-I174 WeakPolarHBondContact O-CB 3.13Å; Q171-I174 PolarHBondContact O-N 2.56Å; Q171-I174 VanDerWaalsContact O-N 3.1Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q171-E175 PolarHBondContact NE2-OE1 2.89Å; Q171-E175 PolarHBondContact O-N 3.49Å |
| 172 | K | 89.7 | Confident | 87.9 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 173.4 | -177.6 | 179 | -178.9 | -75.6 | 0 | 111.4 | I139 D168 V169 I174 E175 E176 | I139-K172 HydrophobicContact CG2-CB 4.39Å; I139-K172 HydrophobicContact CG2-CD 4.18Å; I139-K172 HydrophobicContact CG2-CG 4.02Å; D168-K172 WeakPolarHBondContact O-CB 3.28Å; D168-K172 PolarHBondContact O-N 3.37Å; V169-K172 PolarHBondContact O-N 2.77Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.43Å; K172-E175 PolarHBondContact O-N 3.44Å; K172-E175 VanDerWaalsContact O-N 3.16Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 IonicContact NZ-OE2 2.76Å; K172-E176 PolarHBondContact NZ-OE2 2.81Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.37Å; K172-E176 PolarHBondContact O-N 3.42Å |
| 173 | A | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I139 F164 V169 A170 Q171 L177 | I139-A173 HydrophobicContact CD1-CB 4.29Å; I139-A173 HydrophobicContact CG2-CB 3.92Å; F164-A173 HydrophobicContact CD2-CB 4.47Å; F164-A173 HydrophobicContact CE1-CB 4.29Å; F164-A173 HydrophobicContact CE2-CB 3.59Å; F164-A173 HydrophobicContact CZ-CB 3.46Å; F164-A173 VanDerWaalsContact CZ-CB 3.46Å; V169-A173 WeakPolarHBondContact O-CB 3.43Å; V169-A173 PolarHBondContact O-N 3.18Å; A170-A173 PolarHBondContact O-N 2.74Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.15Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.13Å; A173-L177 PolarHBondContact O-N 2.81Å |
| 174 | I | 90.6 | Very high | 87 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.9 | -48.7 | 171.5 | -66.6 | 158.9 | 0 | 0 | 0 | 110.6 | V118 A170 Q171 K172 E176 H178 C189 S190 L191 | V118-I174 HydrophobicContact CB-CG1 4.44Å; V118-I174 HydrophobicContact CG1-CD1 4.35Å; V118-I174 HydrophobicContact CG1-CG1 3.69Å; V118-I174 HydrophobicContact CG2-CD1 4.05Å; V118-I174 HydrophobicContact CG2-CG1 3.93Å; A170-I174 WeakPolarHBondContact O-CD1 3.36Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3Å; A170-I174 VanDerWaalsContact O-N 3.11Å; Q171-I174 WeakPolarHBondContact O-CB 3.13Å; Q171-I174 PolarHBondContact O-N 2.56Å; Q171-I174 VanDerWaalsContact O-N 3.1Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.43Å; I174-E176 PolarHBondContact O-N 3.39Å; I174-H178 WeakPolarHBondContact O-CB 3.22Å; I174-H178 PolarHBondContact O-N 2.8Å; I174-C189 HydrophobicContact CG1-CB 4.33Å; I174-S190 VanDerWaalsContact CD1-C 3.41Å; I174-L191 HydrophobicContact CD1-CB 4.24Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.59Å; I174-L191 VanDerWaalsContact CD1-N 3.28Å |
| 175 | E | 89 | Confident | 86.7 | Confident | 142 Ų | 142 | 74.5 Ų | 74.5 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -27.7 | -178.3 | -69.3 | 174 | -164.2 | 0 | 0 | 113 | Q171 K172 | Q171-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q171-E175 PolarHBondContact NE2-OE1 2.89Å; Q171-E175 PolarHBondContact O-N 3.49Å; K172-E175 PolarHBondContact O-N 3.44Å; K172-E175 VanDerWaalsContact O-N 3.16Å |
| 176 | E | 88.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -101 | -24.9 | -176 | -170.6 | 167.6 | -168.8 | 0 | 0 | 114.7 | I139 K172 I174 | I139-E176 HydrophobicContact CD1-CB 4.28Å; I139-E176 HydrophobicContact CD1-CG 4.26Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 IonicContact NZ-OE2 2.76Å; K172-E176 PolarHBondContact NZ-OE2 2.81Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.37Å; K172-E176 PolarHBondContact O-N 3.42Å; I174-E176 PolarHBondContact O-N 3.39Å |
| 177 | L | 87.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -102.9 | -14.5 | 177.6 | -60.5 | 178.8 | 0 | 0 | 0 | 114.2 | I120 L135 I139 A173 S179 K180 I187 C189 | I120-L177 HydrophobicContact CD1-CD1 4.5Å; L135-L177 HydrophobicContact CD1-CD2 3.78Å; L135-L177 HydrophobicContact CD2-CD2 4.27Å; L135-L177 HydrophobicContact CG-CD1 4.34Å; L135-L177 HydrophobicContact CG-CD2 3.87Å; I139-L177 HydrophobicContact CD1-CD1 3.77Å; I139-L177 HydrophobicContact CD1-CD2 3.61Å; I139-L177 HydrophobicContact CD1-CG 3.43Å; I139-L177 VanDerWaalsContact CD1-CG 3.43Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.13Å; A173-L177 PolarHBondContact O-N 2.81Å; L177-S179 PolarHBondContact O-N 2.86Å; L177-K180 HydrophobicContact CD2-CD 3.54Å; L177-K180 WeakPolarHBondContact O-CB 3.15Å; L177-K180 PolarHBondContact O-N 3.37Å; L177-K180 VanDerWaalsContact O-N 3.12Å; L177-I187 HydrophobicContact CB-CD1 4.19Å; L177-I187 VanDerWaalsContact O-CG1 3.3Å; L177-I187 WeakPolarHBondContact O-CG1 3.42Å; L177-C189 HydrophobicContact CB-CB 4.24Å; L177-C189 WeakPolarHBondContact CB-SG 3.18Å |
| 178 | H | 86.8 | Confident | 87.2 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 123 | -180 | -172.6 | 101.9 | 0 | 0 | 0 | 110.8 | I174 K180 C189 | I174-H178 WeakPolarHBondContact O-CB 3.22Å; I174-H178 PolarHBondContact O-N 2.8Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.9Å; H178-C189 HydrophobicContact CB-CB 4.4Å; H178-C189 PolarHBondContact ND1-O 3.4Å |
| 179 | S | 84.2 | Confident | 87.3 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 13.1 | -173.6 | -55.8 | 0 | 0 | 0 | 0 | 115.9 | L177 I187 | L177-S179 PolarHBondContact O-N 2.86Å; S179-I187 VanDerWaalsContact CA-O 3.32Å; S179-I187 WeakPolarHBondContact CA-O 3.4Å; S179-I187 PolarHBondContact N-O 2.97Å |
| 180 | K | 85.3 | Confident | 87.3 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -64.6 | 139.6 | 169.2 | -165.2 | 172.5 | -178.4 | 177.5 | 0 | 109.3 | L135 E138 L177 H178 I187 | L135-K180 HydrophobicContact CD1-CD 4.3Å; E138-K180 IonicContact OE2-NZ 3.98Å; E138-K180 PolarHBondContact OE2-NZ 2.82Å; L177-K180 HydrophobicContact CD2-CD 3.54Å; L177-K180 WeakPolarHBondContact O-CB 3.15Å; L177-K180 PolarHBondContact O-N 3.37Å; L177-K180 VanDerWaalsContact O-N 3.12Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.9Å; K180-I187 HydrophobicContact CB-CD1 4.46Å; K180-I187 HydrophobicContact CB-CG1 4.37Å; K180-I187 PolarHBondContact O-N 3.05Å | ||
| 181 | E | 86.3 | Confident | 87.1 | Confident | 156 Ų | 156 | 72.7 Ų | 72.7 | 73% | 0.729 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.2 | 172.3 | -69.2 | -166.5 | 161.8 | 0 | 0 | 110.5 | T186 | E181-T186 HydrophobicContact CG-CG2 3.98Å |
| 182 | F | 82.4 | Confident | 86.7 | Confident | 36 Ų | 36 | 69 Ų | 69 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.7 | 178.9 | -163.5 | -114.5 | 0 | 0 | 0 | 110.7 | V127 D131 L135 G184 K185 I187 | V127-F182 HydrophobicContact CG1-CE1 4.18Å; V127-F182 HydrophobicContact CG2-CD1 3.91Å; V127-F182 HydrophobicContact CG2-CE1 3.74Å; D131-F182 HydrophobicContact CB-CE1 4.08Å; D131-F182 HydrophobicContact CB-CZ 4.02Å; L135-F182 HydrophobicContact CB-CE2 4.26Å; L135-F182 HydrophobicContact CB-CZ 4.39Å; L135-F182 HydrophobicContact CD1-CD2 4.25Å; L135-F182 HydrophobicContact CD1-CE2 4.16Å; L135-F182 HydrophobicContact CD2-CD1 4.39Å; L135-F182 HydrophobicContact CD2-CD2 3.85Å; L135-F182 HydrophobicContact CD2-CE1 4.43Å; L135-F182 HydrophobicContact CD2-CE2 3.9Å; L135-F182 HydrophobicContact CD2-CG 4.11Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.34Å; F182-G184 PolarHBondContact O-N 3.26Å; F182-G184 VanDerWaalsContact O-N 3.1Å; F182-K185 PolarHBondContact N-O 2.96Å; F182-K185 PolarHBondContact O-N 3.18Å; F182-I187 HydrophobicContact CB-CD1 4.46Å; F182-I187 HydrophobicContact CB-CG2 3.66Å |
| 183 | K | 79.9 | Confident | 86.1 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 47% | 0.47 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 42.8 | -174.2 | -56 | -168.6 | -169.3 | -174.3 | 0 | 113.8 | P124 D126 V127 D131 | P124-K183 HydrophobicContact CG-CB 4Å; D126-K183 PolarHBondContact O-NZ 2.53Å; V127-K183 HydrophobicContact CG2-CD 3.86Å; V127-K183 HydrophobicContact CG2-CG 4.44Å; D131-K183 WeakPolarHBondContact OD1-CE 3.36Å; D131-K183 IonicContact OD1-NZ 3.15Å; D131-K183 PolarHBondContact OD1-NZ 2.7Å; D131-K183 IonicContact OD2-NZ 2.78Å; D131-K183 PolarHBondContact OD2-NZ 3.46Å |
| 184 | G | 80.8 | Confident | 85.4 | Confident | 72 Ų | 72 | 74 Ų | 74 | 74% | 0.742 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 16.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | F182 | F182-G184 PolarHBondContact O-N 3.26Å; F182-G184 VanDerWaalsContact O-N 3.1Å |
| 185 | K | 85.4 | Confident | 85 | Confident | 101 Ų | 101 | 78 Ų | 78 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.7 | 167.1 | -63.8 | -168.3 | -175.9 | -174.5 | 0 | 111.2 | G122 P124 F182 | G122-K185 WeakPolarHBondContact O-CB 3.22Å; G122-K185 VanDerWaalsContact O-CD 3.29Å; G122-K185 WeakPolarHBondContact O-CD 3.15Å; P124-K185 HydrophobicContact CB-CD 4.36Å; P124-K185 HydrophobicContact CG-CB 4.36Å; P124-K185 HydrophobicContact CG-CD 4.08Å; P124-K185 HydrophobicContact CG-CG 4.13Å; F182-K185 PolarHBondContact N-O 2.96Å; F182-K185 PolarHBondContact O-N 3.18Å |
| 186 | T | 89.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.4 | 170.5 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | E181 | E181-T186 HydrophobicContact CG-CG2 3.98Å |
| 187 | I | 91.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -88.5 | 144.8 | 178.3 | 72.1 | -177.1 | 0 | 0 | 0 | 110.7 | I120 G121 L123 L135 L177 S179 K180 F182 | I120-I187 HydrophobicContact CG2-CB 4.19Å; I120-I187 HydrophobicContact CG2-CD1 4.25Å; G121-I187 CarbonylContact O-C 3.53Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; L123-I187 HydrophobicContact CD2-CG2 3.82Å; L135-I187 HydrophobicContact CD2-CD1 3.74Å; L177-I187 HydrophobicContact CB-CD1 4.19Å; L177-I187 VanDerWaalsContact O-CG1 3.3Å; L177-I187 WeakPolarHBondContact O-CG1 3.42Å; S179-I187 VanDerWaalsContact CA-O 3.32Å; S179-I187 WeakPolarHBondContact CA-O 3.4Å; S179-I187 PolarHBondContact N-O 2.97Å; K180-I187 HydrophobicContact CB-CD1 4.46Å; K180-I187 HydrophobicContact CB-CG1 4.37Å; K180-I187 PolarHBondContact O-N 3.05Å; F182-I187 HydrophobicContact CB-CD1 4.46Å; F182-I187 HydrophobicContact CB-CG2 3.66Å | ||
| 188 | R | 89.8 | Confident | 84.8 | Confident | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 101.2 | 179.8 | -71.6 | -174.6 | 176 | 179.2 | -0.4 | 109.5 | G121 | G121-R188 PolarHBondContact N-O 3.49Å; G121-R188 PolarHBondContact O-N 3.09Å |
| 189 | C | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.8 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | V118 F119 I174 L177 H178 | V118-C189 HydrophobicContact CG1-CB 4.11Å; F119-C189 CarbonylContact O-C 3.58Å; F119-C189 VanDerWaalsContact O-CA 3.31Å; F119-C189 WeakPolarHBondContact O-CA 3.38Å; I174-C189 HydrophobicContact CG1-CB 4.33Å; L177-C189 HydrophobicContact CB-CB 4.24Å; L177-C189 WeakPolarHBondContact CB-SG 3.18Å; H178-C189 HydrophobicContact CB-CB 4.4Å; H178-C189 PolarHBondContact ND1-O 3.4Å |
| 190 | S | 88.3 | Confident | 85 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 160.5 | 178.8 | -71.5 | 0 | 0 | 0 | 0 | 110.7 | V118 F119 I174 S192 | V118-S190 CarbonylContact C-O 3.5Å; V118-S190 WeakPolarHBondContact CA-O 3.34Å; V118-S190 WeakPolarHBondContact CG1-O 3.37Å; F119-S190 PolarHBondContact N-O 3.25Å; F119-S190 PolarHBondContact O-N 3.22Å; I174-S190 VanDerWaalsContact CD1-C 3.41Å; S190-S192 PolarHBondContact O-N 3.2Å |
| 191 | L | 86.3 | Confident | 85.1 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 131.2 | 172.8 | -70.5 | 171 | 0 | 0 | 0 | 109.2 | G115 I174 | G115-L191 WeakPolarHBondContact O-CD2 3.38Å; I174-L191 HydrophobicContact CD1-CB 4.24Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.59Å; I174-L191 VanDerWaalsContact CD1-N 3.28Å |
| 192 | S | 81 | Confident | 85 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -68.6 | 136.7 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | E117 F161 S190 T194 | E117-S192 VanDerWaalsContact O-CB 3.25Å; E117-S192 WeakPolarHBondContact O-CB 3.25Å; E117-S192 PolarHBondContact O-N 2.83Å; E117-S192 WeakPolarHBondContact OE1-CB 3.13Å; E117-S192 PolarHBondContact OE1-OG 3Å; F161-S192 VanDerWaalsContact CD1-OG 3.22Å; F161-S192 WeakPolarHBondContact CD1-OG 3.48Å; F161-S192 VanDerWaalsContact CE1-OG 3.24Å; F161-S192 WeakPolarHBondContact CE1-OG 3.38Å; S190-S192 PolarHBondContact O-N 3.2Å; S192-T194 PolarHBondContact O-N 3.46Å | ||
| 193 | E | 76.8 | Confident | 85 | Confident | 180 Ų | 180 | 57.6 Ų | 57.6 | 84% | 0.841 | 29% | 0.294 | S | S | * | . | trans | -74.4 | 44.8 | 177.4 | -60.1 | -163.7 | 162.9 | 0 | 0 | 113.1 | K195 | E193-K195 PolarHBondContact O-N 2.93Š| ||
| 194 | T | 75.3 | Confident | 84.9 | Confident | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -60.6 | 124.3 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | H114 E117 S192 N196 | H114-T194 PolarHBondContact CE1-O 3.44Å; H114-T194 PolarHBondContact CE1-OG1 3.27Å; H114-T194 PolarHBondContact ND1-O 2.68Å; H114-T194 PolarHBondContact ND1-OG1 2.87Å; E117-T194 HydrophobicContact CB-CG2 4.11Å; E117-T194 HydrophobicContact CG-CG2 4.36Å; E117-T194 WeakPolarHBondContact OE1-CG2 3.3Å; E117-T194 WeakPolarHBondContact OE2-CG2 3.29Å; S192-T194 PolarHBondContact O-N 3.46Å; T194-N196 PolarHBondContact O-N 2.72Å | ||
| 195 | K | 81.1 | Confident | 84.8 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | trans | -86.2 | 110.6 | -178.7 | -55.4 | -173.5 | -174 | -177.1 | 0 | 108.7 | E193 N241 W267 | E193-K195 PolarHBondContact O-N 2.93Å; K195-N241 PolarHBondContact O-ND2 2.89Å; K195-W267 HydrophobicContact CB-CD2 3.82Å; K195-W267 HydrophobicContact CB-CE3 3.41Å; K195-W267 VanDerWaalsContact CB-CE3 3.41Å; K195-W267 HydrophobicContact CB-CG 4.39Å; K195-W267 HydrophobicContact CB-CH2 4.45Å; K195-W267 HydrophobicContact CB-CZ3 3.79Å; K195-W267 HydrophobicContact CD-CB 3.91Å; K195-W267 HydrophobicContact CD-CD2 4.18Å; K195-W267 HydrophobicContact CD-CG 3.88Å; K195-W267 WeakPolarHBondContact O-CH2 3.48Å; K195-W267 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 196 | N | 84.6 | Confident | 84.5 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | trans | -107.3 | 5.8 | 176.7 | 75.6 | -30.1 | 0 | 0 | 0 | 113.2 | H114 T194 L237 Y238 | H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 PolarHBondContact CD2-ND2 2.87Å; H114-N196 VanDerWaalsContact CD2-ND2 3.35Å; T194-N196 PolarHBondContact O-N 2.72Å; N196-L237 WeakPolarHBondContact ND2-CD1 3.38Å; N196-Y238 PolarHBondContact ND2-O 3.33Å; N196-Y238 PolarHBondContact O-N 3.34Å | ||
| 197 | R | 86.4 | Confident | 83.8 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.9 | -172.3 | -164.1 | 178 | -173.4 | -119.1 | -1.7 | 111 | T225 F235 V236 L237 A268 | R197-T225 PolarHBondContact NH2-OG1 3.38Å; R197-F235 VanDerWaalsContact NH2-CG 3.32Å; R197-V236 CarbonylContact C-O 3.54Å; R197-V236 WeakPolarHBondContact CA-O 3.41Å; R197-V236 WeakPolarHBondContact CG-O 3.41Å; R197-L237 HydrophobicContact CB-CD1 4.02Å; R197-L237 HydrophobicContact CG-CD1 4.12Å; R197-A268 HydrophobicContact CB-CB 4.11Å; R197-A268 HydrophobicContact CG-CB 3.9Å; R197-A268 WeakPolarHBondContact O-CB 3.31Å; R197-A268 PolarHBondContact O-N 3.44Å |
| 198 | L | 88.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144 | 175.7 | -58 | -175.4 | 0 | 0 | 0 | 110.8 | I200 F235 V236 Y238 A244 R248 V265 T266 W267 | L198-I200 HydrophobicContact CB-CG1 4.3Å; L198-F235 CarbonylContact O-C 3.53Å; L198-F235 VanDerWaalsContact O-CA 3.24Å; L198-F235 WeakPolarHBondContact O-CA 3.34Å; L198-V236 PolarHBondContact N-O 3.33Å; L198-V236 PolarHBondContact O-N 3.29Å; L198-Y238 HydrophobicContact CB-CE2 4.39Å; L198-Y238 HydrophobicContact CD1-CD2 4.47Å; L198-Y238 HydrophobicContact CD1-CE2 3.58Å; L198-Y238 HydrophobicContact CG-CD2 4.29Å; L198-Y238 HydrophobicContact CG-CE2 3.75Å; L198-A244 WeakPolarHBondContact CD1-O 3.37Å; L198-A244 HydrophobicContact CD2-CB 4.42Å; L198-A244 HydrophobicContact CG-CB 4.5Å; L198-R248 HydrophobicContact CD1-CB 3.88Å; L198-R248 HydrophobicContact CD2-CB 3.88Å; L198-R248 HydrophobicContact CD2-CG 4.37Å; L198-V265 HydrophobicContact CB-CG1 4.42Å; L198-V265 HydrophobicContact CD1-CG1 3.89Å; L198-T266 WeakPolarHBondContact CA-O 3.07Å; L198-W267 HydrophobicContact CD2-CD2 4.25Å; L198-W267 HydrophobicContact CD2-CE3 3.55Å; L198-W267 HydrophobicContact CD2-CH2 4.26Å; L198-W267 HydrophobicContact CD2-CZ3 3.55Å |
| 199 | F | 89.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.1 | 159.2 | 169.3 | -92.9 | 0 | 0 | 0 | 107.4 | F233 F235 V265 T266 A268 | F199-F233 HydrophobicContact CD2-CB 4.42Å; F199-F233 HydrophobicContact CD2-CD2 4.39Å; F199-F233 HydrophobicContact CE2-CB 3.51Å; F199-F233 HydrophobicContact CE2-CD1 4.43Å; F199-F233 AromaticContact CE2-CD2 3.73Å; F199-F233 HydrophobicContact CE2-CD2 3.73Å; F199-F233 AromaticContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CZ-CB 3.65Å; F199-F233 HydrophobicContact CZ-CG 4.13Å; F199-F235 HydrophobicContact CB-CD1 4.13Å; F199-F235 HydrophobicContact CB-CE1 4.03Å; F199-F235 HydrophobicContact CD2-CD1 4.19Å; F199-F235 AromaticContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE2 4.45Å; F199-F235 AromaticContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CE2-CZ 4.5Å; F199-F235 HydrophobicContact CG-CE1 4.35Å; F199-V265 WeakPolarHBondContact O-CA 3.35Å; F199-T266 PolarHBondContact N-O 3.18Å; F199-T266 PolarHBondContact O-N 3.13Å; F199-A268 HydrophobicContact CB-CB 4.26Å |
| 200 | I | 87.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 100.6 | 177.8 | -59.9 | 177.4 | 0 | 0 | 0 | 106.9 | L198 I203 F212 I216 F233 A234 V236 M251 P263 V265 | L198-I200 HydrophobicContact CB-CG1 4.3Å; I200-I203 HydrophobicContact CG2-CD1 4.13Å; I200-I203 HydrophobicContact CG2-CG1 4.05Å; I200-I203 WeakPolarHBondContact O-CD1 3.24Å; I200-F212 HydrophobicContact CB-CZ 4.23Å; I200-F212 HydrophobicContact CD1-CZ 4.03Å; I200-F212 HydrophobicContact CG2-CE2 4Å; I200-F212 HydrophobicContact CG2-CZ 4.12Å; I200-I216 HydrophobicContact CD1-CD1 3.53Å; I200-F233 CarbonylContact O-C 3.55Å; I200-F233 WeakPolarHBondContact O-CA 3.42Å; I200-A234 PolarHBondContact N-O 3.08Å; I200-A234 PolarHBondContact O-N 3.04Å; I200-V236 HydrophobicContact CD1-CB 4.35Å; I200-V236 HydrophobicContact CD1-CG2 3.68Å; I200-M251 HydrophobicContact CD1-CE 4.23Å; I200-M251 HydrophobicContact CD1-SD 3.49Å; I200-M251 WeakPolarHBondContact CD1-SD 3.41Å; I200-M251 HydrophobicContact CG1-SD 4.38Å; I200-P263 HydrophobicContact CG2-CB 4.13Å; I200-V265 HydrophobicContact CG1-CG1 4.29Å; I200-V265 HydrophobicContact CG1-CG2 4.14Å; I200-V265 HydrophobicContact CG2-CG2 4.29Å |
| 201 | G | 85.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 176.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | I203 G232 P263 T264 | G201-I203 PolarHBondContact O-N 2.79Å; G201-G232 CarbonylContact C-O 3.55Å; G201-P263 WeakPolarHBondContact O-CA 3.26Å; G201-T264 PolarHBondContact N-O 3.48Å; G201-T264 PolarHBondContact O-N 3.21Å |
| 202 | N | 84.1 | Confident | 81.9 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | trans | 62 | 24.3 | -178.9 | -155.7 | 37.9 | 0 | 0 | 0 | 114.6 | G232 A262 | N202-G232 PolarHBondContact N-O 2.99Å; N202-A262 PolarHBondContact ND2-O 3.2Å | ||
| 203 | I | 82.6 | Confident | 82 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | trans | -67 | 132.6 | 175.8 | -56.9 | 174.5 | 0 | 0 | 0 | 109.3 | I200 G201 K205 W207 F212 G232 A234 L258 | I200-I203 HydrophobicContact CG2-CD1 4.13Å; I200-I203 HydrophobicContact CG2-CG1 4.05Å; I200-I203 WeakPolarHBondContact O-CD1 3.24Å; G201-I203 PolarHBondContact O-N 2.79Å; I203-K205 PolarHBondContact O-N 3.38Å; I203-W207 HydrophobicContact CG2-CB 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.85Å; I203-F212 HydrophobicContact CD1-CE1 4.28Å; I203-F212 HydrophobicContact CD1-CE2 3.39Å; I203-F212 HydrophobicContact CD1-CG 4.45Å; I203-F212 HydrophobicContact CD1-CZ 3.62Å; I203-F212 HydrophobicContact CG1-CD2 4.36Å; I203-F212 HydrophobicContact CG1-CE2 3.98Å; I203-F212 HydrophobicContact CG2-CD2 4.21Å; I203-G232 PolarHBondContact N-O 3.24Å; I203-G232 WeakPolarHBondContact O-CA 3.46Å; I203-A234 HydrophobicContact CD1-CB 3.56Å; I203-L258 HydrophobicContact CG1-CD1 4.33Å | ||
| 204 | P | 78.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.071 | 27% | 0.272 | C | S | . | . | trans | -57.5 | 130.5 | 176 | -22.8 | 32.8 | 0 | 0 | 0 | 112 | N206 W207 L258 E259 | P204-N206 WeakPolarHBondContact CB-OD1 3.37Å; P204-N206 PolarHBondContact O-N 2.87Å; P204-N206 VanDerWaalsContact O-N 3.15Å; P204-W207 HydrophobicContact CB-CG 4.14Å; P204-W207 HydrophobicContact CG-CD2 4.42Å; P204-W207 HydrophobicContact CG-CG 4.3Å; P204-W207 WeakPolarHBondContact O-CB 3.37Å; P204-W207 PolarHBondContact O-N 2.86Å; P204-W207 VanDerWaalsContact O-N 3.08Å; P204-L258 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CG 4.49Å | ||
| 205 | K | 78.1 | Confident | 82.6 | Confident | 162 Ų | 162 | 57.8 Ų | 57.8 | 70% | 0.704 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -15.3 | -175.6 | -69.1 | -179.4 | 180 | 174.7 | 0 | 114.4 | I203 | I203-K205 PolarHBondContact O-N 3.38Š|
| 206 | N | 79.9 | Confident | 82.8 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -17.4 | 174.6 | 57.4 | -62.9 | 0 | 0 | 0 | 113.5 | P204 | P204-N206 WeakPolarHBondContact CB-OD1 3.37Å; P204-N206 PolarHBondContact O-N 2.87Å; P204-N206 VanDerWaalsContact O-N 3.15Å |
| 207 | W | 74.9 | Confident | 82.7 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | trans | -70.6 | 132.8 | 177.7 | -81.1 | 24.6 | 0 | 0 | 0 | 110.9 | I203 P204 E211 F212 V215 N230 L258 E259 | I203-W207 HydrophobicContact CG2-CB 4.47Å; P204-W207 HydrophobicContact CB-CG 4.14Å; P204-W207 HydrophobicContact CG-CD2 4.42Å; P204-W207 HydrophobicContact CG-CG 4.3Å; P204-W207 WeakPolarHBondContact O-CB 3.37Å; P204-W207 PolarHBondContact O-N 2.86Å; P204-W207 VanDerWaalsContact O-N 3.08Å; W207-E211 HydrophobicContact CD2-CB 4.5Å; W207-E211 HydrophobicContact CE3-CB 4.47Å; W207-F212 HydrophobicContact CE3-CB 4.23Å; W207-F212 HydrophobicContact CE3-CD2 4.4Å; W207-V215 HydrophobicContact CH2-CB 4.3Å; W207-V215 HydrophobicContact CH2-CG1 4.13Å; W207-V215 HydrophobicContact CH2-CG2 3.9Å; W207-V215 HydrophobicContact CZ3-CB 3.98Å; W207-V215 HydrophobicContact CZ3-CG1 4.01Å; W207-V215 HydrophobicContact CZ3-CG2 3.96Å; W207-N230 PolarHBondContact O-ND2 3.26Å; W207-L258 HydrophobicContact CH2-CB 4.06Å; W207-L258 HydrophobicContact CH2-CD2 3.59Å; W207-L258 HydrophobicContact CH2-CG 4.34Å; W207-L258 HydrophobicContact CZ2-CB 4.16Å; W207-L258 HydrophobicContact CZ2-CD2 4.49Å; W207-L258 HydrophobicContact CZ3-CB 4.44Å; W207-L258 HydrophobicContact CZ3-CD2 3.75Å; W207-L258 HydrophobicContact CZ3-CG 4.45Å; W207-E259 HydrophobicContact CZ2-CG 4.25Å; W207-E259 VanDerWaalsContact NE1-CG 3.25Å | ||
| 208 | T | 78.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 37% | 0.368 | 28% | 0.279 | S | S | . | . | trans | -71.5 | 166.7 | 169 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | D210 E211 F212 | T208-D210 PolarHBondContact O-N 2.93Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.4Å; T208-E211 WeakPolarHBondContact OG1-CB 3.17Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.24Å; T208-E211 WeakPolarHBondContact OG1-CG 3.21Å; T208-E211 PolarHBondContact OG1-N 2.88Å; T208-E211 VanDerWaalsContact OG1-N 3.14Å; T208-E211 PolarHBondContact OG1-OE2 3.33Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.31Å; T208-F212 VanDerWaalsContact O-N 3.14Å | ||
| 209 | E | 79.7 | Confident | 82 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 168.9 | 174 | 162 | 152.1 | 0 | 0 | 111.4 | F212 R213 T227 | E209-F212 PolarHBondContact O-N 3.09Å; E209-R213 WeakPolarHBondContact O-CB 3.16Å; E209-R213 PolarHBondContact O-N 3.27Å; E209-R213 IonicContact OE1-CZ 3.26Å; E209-R213 IonicContact OE1-NH2 3.64Å; E209-R213 PolarHBondContact OE1-NH2 2.81Å; E209-T227 WeakPolarHBondContact CB-OG1 3.3Å; E209-T227 HydrophobicContact CG-CG2 3.95Å; E209-T227 WeakPolarHBondContact CG-OG1 3.46Å; E209-T227 WeakPolarHBondContact OE1-CG2 3.25Å; E209-T227 WeakPolarHBondContact OE2-CB 3.41Å; E209-T227 WeakPolarHBondContact OE2-CG2 3.33Å; E209-T227 PolarHBondContact OE2-OG1 3.48Å |
| 210 | D | 82 | Confident | 81.3 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.1 | -38.2 | -174.2 | -47.7 | -73.1 | 0 | 0 | 0 | 112.7 | T208 R213 K214 | T208-D210 PolarHBondContact O-N 2.93Å; D210-R213 PolarHBondContact O-N 2.83Å; D210-K214 VanDerWaalsContact O-CG 3.31Å; D210-K214 WeakPolarHBondContact O-CG 3.3Å; D210-K214 PolarHBondContact O-N 3.01Å |
| 211 | E | 82.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 170.9 | -73.7 | 162.1 | 132.6 | 0 | 0 | 111.3 | W207 T208 V215 | W207-E211 HydrophobicContact CD2-CB 4.5Å; W207-E211 HydrophobicContact CE3-CB 4.47Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.4Å; T208-E211 WeakPolarHBondContact OG1-CB 3.17Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.24Å; T208-E211 WeakPolarHBondContact OG1-CG 3.21Å; T208-E211 PolarHBondContact OG1-N 2.88Å; T208-E211 VanDerWaalsContact OG1-N 3.14Å; T208-E211 PolarHBondContact OG1-OE2 3.33Å; E211-V215 WeakPolarHBondContact O-CG2 3.5Å; E211-V215 PolarHBondContact O-N 3.32Å |
| 212 | F | 82.3 | Confident | 80.3 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 175 | -179.8 | -109.6 | 0 | 0 | 0 | 111.3 | I200 I203 W207 T208 E209 K214 V215 I216 P224 A234 V236 | I200-F212 HydrophobicContact CB-CZ 4.23Å; I200-F212 HydrophobicContact CD1-CZ 4.03Å; I200-F212 HydrophobicContact CG2-CE2 4Å; I200-F212 HydrophobicContact CG2-CZ 4.12Å; I203-F212 HydrophobicContact CD1-CD2 3.85Å; I203-F212 HydrophobicContact CD1-CE1 4.28Å; I203-F212 HydrophobicContact CD1-CE2 3.39Å; I203-F212 HydrophobicContact CD1-CG 4.45Å; I203-F212 HydrophobicContact CD1-CZ 3.62Å; I203-F212 HydrophobicContact CG1-CD2 4.36Å; I203-F212 HydrophobicContact CG1-CE2 3.98Å; I203-F212 HydrophobicContact CG2-CD2 4.21Å; W207-F212 HydrophobicContact CE3-CB 4.23Å; W207-F212 HydrophobicContact CE3-CD2 4.4Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.31Å; T208-F212 VanDerWaalsContact O-N 3.14Å; E209-F212 PolarHBondContact O-N 3.09Å; F212-K214 PolarHBondContact O-N 3.35Å; F212-V215 PolarHBondContact O-N 3Å; F212-I216 HydrophobicContact CD1-CG1 4.16Å; F212-I216 HydrophobicContact CD2-CG1 4.43Å; F212-I216 HydrophobicContact CE1-CD1 4.16Å; F212-I216 HydrophobicContact CE1-CG1 3.73Å; F212-I216 HydrophobicContact CE2-CD1 3.79Å; F212-I216 HydrophobicContact CE2-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.57Å; F212-I216 HydrophobicContact CZ-CG1 3.67Å; F212-I216 WeakPolarHBondContact O-CG1 3.09Å; F212-I216 PolarHBondContact O-N 2.88Å; F212-P224 HydrophobicContact CD1-CB 4.18Å; F212-P224 HydrophobicContact CE1-CB 4.02Å; F212-A234 HydrophobicContact CD1-CB 4.2Å; F212-A234 HydrophobicContact CE1-CB 3.43Å; F212-A234 VanDerWaalsContact CE1-CB 3.43Å; F212-A234 HydrophobicContact CZ-CB 3.7Å; F212-V236 HydrophobicContact CE1-CG2 4.14Å; F212-V236 HydrophobicContact CZ-CG2 4.2Å |
| 213 | R | 83.4 | Confident | 80.1 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -49.5 | -178.2 | -174.1 | -173.3 | -56.8 | -169.4 | 3.3 | 112.1 | E209 D210 V215 I216 E217 P224 | E209-R213 WeakPolarHBondContact O-CB 3.16Å; E209-R213 PolarHBondContact O-N 3.27Å; E209-R213 IonicContact OE1-CZ 3.26Å; E209-R213 IonicContact OE1-NH2 3.64Å; E209-R213 PolarHBondContact OE1-NH2 2.81Å; D210-R213 PolarHBondContact O-N 2.83Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.27Å; R213-I216 WeakPolarHBondContact O-CA 2.97Å; R213-I216 WeakPolarHBondContact O-CB 3.49Å; R213-I216 PolarHBondContact O-N 3.25Å; R213-E217 VanDerWaalsContact CD-OE1 3.3Å; R213-E217 WeakPolarHBondContact CD-OE1 3.32Å; R213-E217 HydrophobicContact CG-CG 4.3Å; R213-E217 VanDerWaalsContact CG-OE1 3.26Å; R213-E217 WeakPolarHBondContact CG-OE1 3.33Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.37Å; R213-P224 HydrophobicContact CB-CG 4.19Å; R213-P224 HydrophobicContact CG-CG 3.95Å |
| 214 | K | 83.1 | Confident | 79.9 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.4 | -41.9 | 177.1 | -72.3 | 172.1 | -177.9 | -176.6 | 0 | 112.4 | D210 F212 I216 E217 D218 | D210-K214 VanDerWaalsContact O-CG 3.31Å; D210-K214 WeakPolarHBondContact O-CG 3.3Å; D210-K214 PolarHBondContact O-N 3.01Å; F212-K214 PolarHBondContact O-N 3.35Å; K214-I216 VanDerWaalsContact C-N 3.3Å; K214-I216 PolarHBondContact O-N 3.3Å; K214-E217 PolarHBondContact O-N 2.94Å; K214-D218 WeakPolarHBondContact O-CB 3.3Å; K214-D218 PolarHBondContact O-N 2.76Å |
| 215 | V | 82.7 | Confident | 79.7 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.4 | -18.5 | 179.4 | 168.9 | 0 | 0 | 0 | 0 | 113.1 | W207 E211 F212 R213 V219 F256 L258 | W207-V215 HydrophobicContact CH2-CB 4.3Å; W207-V215 HydrophobicContact CH2-CG1 4.13Å; W207-V215 HydrophobicContact CH2-CG2 3.9Å; W207-V215 HydrophobicContact CZ3-CB 3.98Å; W207-V215 HydrophobicContact CZ3-CG1 4.01Å; W207-V215 HydrophobicContact CZ3-CG2 3.96Å; E211-V215 WeakPolarHBondContact O-CG2 3.5Å; E211-V215 PolarHBondContact O-N 3.32Å; F212-V215 PolarHBondContact O-N 3Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.27Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; V215-F256 HydrophobicContact CG1-CE2 3.98Å; V215-F256 HydrophobicContact CG1-CZ 3.55Å; V215-L258 HydrophobicContact CG1-CD2 3.79Å |
| 216 | I | 83.6 | Confident | 79.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.8 | -47.8 | 165.3 | -61.6 | -55.8 | 0 | 0 | 0 | 110.3 | I200 F212 R213 K214 D218 V219 G220 G222 V236 M251 | I200-I216 HydrophobicContact CD1-CD1 3.53Å; F212-I216 HydrophobicContact CD1-CG1 4.16Å; F212-I216 HydrophobicContact CD2-CG1 4.43Å; F212-I216 HydrophobicContact CE1-CD1 4.16Å; F212-I216 HydrophobicContact CE1-CG1 3.73Å; F212-I216 HydrophobicContact CE2-CD1 3.79Å; F212-I216 HydrophobicContact CE2-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.57Å; F212-I216 HydrophobicContact CZ-CG1 3.67Å; F212-I216 WeakPolarHBondContact O-CG1 3.09Å; F212-I216 PolarHBondContact O-N 2.88Å; R213-I216 WeakPolarHBondContact O-CA 2.97Å; R213-I216 WeakPolarHBondContact O-CB 3.49Å; R213-I216 PolarHBondContact O-N 3.25Å; K214-I216 VanDerWaalsContact C-N 3.3Å; K214-I216 PolarHBondContact O-N 3.3Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 3.32Å; I216-V219 CarbonylContact O-C 3.49Å; I216-V219 WeakPolarHBondContact O-CA 3.26Å; I216-V219 PolarHBondContact O-N 3.38Å; I216-G220 PolarHBondContact O-N 3Å; I216-G222 WeakPolarHBondContact CG2-O 3.41Å; I216-V236 HydrophobicContact CD1-CG2 3.93Å; I216-V236 HydrophobicContact CG1-CG2 3.92Å; I216-V236 HydrophobicContact CG2-CB 4.5Å; I216-V236 HydrophobicContact CG2-CG1 3.72Å; I216-V236 HydrophobicContact CG2-CG2 3.99Å; I216-M251 HydrophobicContact CD1-CE 3.43Å; I216-M251 VanDerWaalsContact CD1-CE 3.43Å; I216-M251 HydrophobicContact CD1-SD 4.04Å |
| 217 | E | 82.6 | Confident | 78.6 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 179.1 | -70 | 165.7 | 171.8 | 0 | 0 | 112.4 | R213 K214 V219 G220 | R213-E217 VanDerWaalsContact CD-OE1 3.3Å; R213-E217 WeakPolarHBondContact CD-OE1 3.32Å; R213-E217 HydrophobicContact CG-CG 4.3Å; R213-E217 VanDerWaalsContact CG-OE1 3.26Å; R213-E217 WeakPolarHBondContact CG-OE1 3.33Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.37Å; K214-E217 PolarHBondContact O-N 2.94Å; E217-V219 PolarHBondContact O-N 3.21Å; E217-G220 PolarHBondContact O-N 2.92Å |
| 218 | D | 79.9 | Confident | 78.2 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.1 | 172.6 | -80 | -28.6 | 0 | 0 | 0 | 113 | Y105 K214 I216 | Y105-D218 PolarHBondContact OH-O 3.16Å; K214-D218 WeakPolarHBondContact O-CB 3.3Å; K214-D218 PolarHBondContact O-N 2.76Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 3.32Å |
| 219 | V | 80.2 | Confident | 77.6 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -25.8 | -176.4 | 174.7 | 0 | 0 | 0 | 0 | 112.9 | Y105 V215 I216 E217 K250 M251 F256 | Y105-V219 VanDerWaalsContact CE1-O 3.28Å; Y105-V219 WeakPolarHBondContact CE1-O 3.45Å; Y105-V219 WeakPolarHBondContact OH-CA 3.44Å; Y105-V219 PolarHBondContact OH-O 2.89Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; I216-V219 CarbonylContact O-C 3.49Å; I216-V219 WeakPolarHBondContact O-CA 3.26Å; I216-V219 PolarHBondContact O-N 3.38Å; E217-V219 PolarHBondContact O-N 3.21Å; V219-K250 HydrophobicContact CG1-CB 3.92Å; V219-K250 HydrophobicContact CG1-CD 4Å; V219-K250 HydrophobicContact CG1-CG 3.9Å; V219-M251 HydrophobicContact CB-CE 3.72Å; V219-M251 HydrophobicContact CG1-CE 3.42Å; V219-M251 VanDerWaalsContact CG1-CE 3.42Å; V219-M251 HydrophobicContact CG1-CG 3.94Å; V219-M251 HydrophobicContact CG2-CE 4.29Å; V219-F256 HydrophobicContact CG2-CD2 4.26Å; V219-F256 HydrophobicContact CG2-CE2 3.48Å; V219-F256 VanDerWaalsContact CG2-CE2 3.48Å; V219-F256 HydrophobicContact CG2-CZ 3.95Å |
| 220 | G | 74.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | trans | 166.8 | 163.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I216 E217 G222 | I216-G220 PolarHBondContact O-N 3Å; E217-G220 PolarHBondContact O-N 2.92Å; G220-G222 PolarHBondContact O-N 2.94Å | ||
| 221 | P | 76.5 | Confident | 77.1 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -72 | 91.3 | -178.7 | 29.3 | -35.1 | 0 | 0 | 0 | 111.6 | L109 Y238 | L109-P221 HydrophobicContact CD1-CG 4.1Å; L109-P221 HydrophobicContact CD2-CB 4.33Å; L109-P221 HydrophobicContact CD2-CG 3.75Å; L109-P221 HydrophobicContact CG-CG 4.01Å; P221-Y238 WeakPolarHBondContact O-CD1 3.37Å |
| 222 | G | 76.2 | Confident | 77 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 131.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I216 G220 P224 V236 L237 | I216-G222 WeakPolarHBondContact CG2-O 3.41Å; G220-G222 PolarHBondContact O-N 2.94Å; G222-P224 WeakPolarHBondContact O-CD 3.02Å; G222-V236 VanDerWaalsContact C-CG1 3.44Å; G222-L237 CarbonylContact C-O 3.5Å; G222-L237 WeakPolarHBondContact CA-O 3.45Å |
| 223 | D | 79.4 | Confident | 77.2 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.8 | -177 | -72 | -51.1 | 0 | 0 | 0 | 112.1 | T225 V236 L237 | D223-T225 PolarHBondContact O-N 3.02Å; D223-T225 VanDerWaalsContact O-N 3.1Å; D223-V236 CarbonylContact O-C 3.6Å; D223-V236 WeakPolarHBondContact O-CA 3.31Å; D223-L237 PolarHBondContact N-O 2.8Å; D223-L237 PolarHBondContact O-N 3.08Å |
| 224 | P | 78.3 | Confident | 77.3 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 103.6 | 174.4 | 29 | -33.8 | 0 | 0 | 0 | 111.3 | F212 R213 G222 T227 V236 | F212-P224 HydrophobicContact CD1-CB 4.18Å; F212-P224 HydrophobicContact CE1-CB 4.02Å; R213-P224 HydrophobicContact CB-CG 4.19Å; R213-P224 HydrophobicContact CG-CG 3.95Å; G222-P224 WeakPolarHBondContact O-CD 3.02Å; P224-T227 VanDerWaalsContact O-CG2 3.26Å; P224-T227 WeakPolarHBondContact O-CG2 3.33Å; P224-V236 HydrophobicContact CB-CG2 4.5Å |
| 225 | T | 75.1 | Confident | 77.5 | Confident | 41 Ų | 41 | 55 Ų | 55 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 150 | 175.8 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | R197 D223 T227 F235 L237 | R197-T225 PolarHBondContact NH2-OG1 3.38Å; D223-T225 PolarHBondContact O-N 3.02Å; D223-T225 VanDerWaalsContact O-N 3.1Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.3Å; T225-F235 WeakPolarHBondContact CA-O 3.4Å; T225-F235 WeakPolarHBondContact CB-O 3.48Å; T225-F235 PolarHBondContact N-O 2.78Å; T225-F235 PolarHBondContact O-N 2.84Å; T225-F235 WeakPolarHBondContact OG1-CB 3.21Å; T225-F235 PolarHBondContact OG1-O 3.13Å; T225-L237 HydrophobicContact CG2-CB 3.95Å |
| 226 | N | 66.8 | Low | 77.8 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 63.8 | 24.4 | 175 | -160.7 | 13.1 | 0 | 0 | 0 | 115.3 | T228 F235 | N226-T228 VanDerWaalsContact C-N 3.31Å; N226-T228 PolarHBondContact O-N 2.9Å; N226-F235 HydrophobicContact CB-CD2 4.37Å |
| 227 | T | 68 | Low | 77.9 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16 | -179.1 | 165.6 | 0 | 0 | 0 | 0 | 114.7 | E209 P224 T225 R229 | E209-T227 WeakPolarHBondContact CB-OG1 3.3Å; E209-T227 HydrophobicContact CG-CG2 3.95Å; E209-T227 WeakPolarHBondContact CG-OG1 3.46Å; E209-T227 WeakPolarHBondContact OE1-CG2 3.25Å; E209-T227 WeakPolarHBondContact OE2-CB 3.41Å; E209-T227 WeakPolarHBondContact OE2-CG2 3.33Å; E209-T227 PolarHBondContact OE2-OG1 3.48Å; P224-T227 VanDerWaalsContact O-CG2 3.26Å; P224-T227 WeakPolarHBondContact O-CG2 3.33Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.3Å; T227-R229 CarbonylContact O-C 3.59Å; T227-R229 PolarHBondContact O-N 3.26Å |
| 228 | T | 66.5 | Low | 78.1 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 70% | 0.699 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -12 | -177.3 | 62.8 | 0 | 0 | 0 | 0 | 118.2 | N226 | N226-T228 VanDerWaalsContact C-N 3.31Å; N226-T228 PolarHBondContact O-N 2.9Å |
| 229 | R | 65.5 | Low | 78.2 | Confident | 175 Ų | 175 | 54 Ų | 54 | 66% | 0.66 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -146 | 128.3 | 161.9 | -58.4 | -175.6 | -171.4 | 168.7 | 4.8 | 110.7 | T227 R231 | T227-R229 CarbonylContact O-C 3.59Å; T227-R229 PolarHBondContact O-N 3.26Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 HydrophobicContact CB-CG 4.42Å; R229-R231 PolarHBondContact O-N 3.44Å |
| 230 | N | 73.4 | Confident | 78.3 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | trans | -63.8 | 78.1 | 173.6 | -61 | -6.1 | 0 | 0 | 0 | 112.6 | W207 G232 | W207-N230 PolarHBondContact O-ND2 3.26Å; N230-G232 PolarHBondContact O-N 3.38Å | ||
| 231 | R | 77.6 | Confident | 78.8 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -79.6 | -0.1 | 178.8 | -69 | 178.6 | -179.8 | 92.7 | -10.3 | 113.3 | R229 F233 | R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 HydrophobicContact CB-CG 4.42Å; R229-R231 PolarHBondContact O-N 3.44Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 HydrophobicContact CB-CD1 3.73Å; R231-F233 HydrophobicContact CB-CE1 3.42Å; R231-F233 VanDerWaalsContact CB-CE1 3.42Å; R231-F233 HydrophobicContact CB-CG 4.47Å; R231-F233 HydrophobicContact CB-CZ 3.92Å; R231-F233 HydrophobicContact CG-CE1 4.25Å; R231-F233 HydrophobicContact CG-CZ 4.38Å |
| 232 | G | 80.8 | Confident | 79.1 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 83.8 | 11.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G201 N202 I203 N230 | G201-G232 CarbonylContact C-O 3.55Å; N202-G232 PolarHBondContact N-O 2.99Å; I203-G232 PolarHBondContact N-O 3.24Å; I203-G232 WeakPolarHBondContact O-CA 3.46Å; N230-G232 PolarHBondContact O-N 3.38Å |
| 233 | F | 86.6 | Confident | 79.6 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.1 | 172.1 | 67.1 | -97.1 | 0 | 0 | 0 | 111.1 | F199 I200 R231 F235 | F199-F233 HydrophobicContact CD2-CB 4.42Å; F199-F233 HydrophobicContact CD2-CD2 4.39Å; F199-F233 HydrophobicContact CE2-CB 3.51Å; F199-F233 HydrophobicContact CE2-CD1 4.43Å; F199-F233 AromaticContact CE2-CD2 3.73Å; F199-F233 HydrophobicContact CE2-CD2 3.73Å; F199-F233 AromaticContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CZ-CB 3.65Å; F199-F233 HydrophobicContact CZ-CG 4.13Å; I200-F233 CarbonylContact O-C 3.55Å; I200-F233 WeakPolarHBondContact O-CA 3.42Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 HydrophobicContact CB-CD1 3.73Å; R231-F233 HydrophobicContact CB-CE1 3.42Å; R231-F233 VanDerWaalsContact CB-CE1 3.42Å; R231-F233 HydrophobicContact CB-CG 4.47Å; R231-F233 HydrophobicContact CB-CZ 3.92Å; R231-F233 HydrophobicContact CG-CE1 4.25Å; R231-F233 HydrophobicContact CG-CZ 4.38Å; F233-F235 HydrophobicContact CD2-CD2 4.42Å; F233-F235 HydrophobicContact CD2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CD2 4.41Å; F233-F235 AromaticContact CE2-CE2 3.85Å; F233-F235 HydrophobicContact CE2-CE2 3.85Å |
| 234 | A | 85.9 | Confident | 80 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I200 I203 F212 | I200-A234 PolarHBondContact N-O 3.08Å; I200-A234 PolarHBondContact O-N 3.04Å; I203-A234 HydrophobicContact CD1-CB 3.56Å; F212-A234 HydrophobicContact CD1-CB 4.2Å; F212-A234 HydrophobicContact CE1-CB 3.43Å; F212-A234 VanDerWaalsContact CE1-CB 3.43Å; F212-A234 HydrophobicContact CZ-CB 3.7Å |
| 235 | F | 87.8 | Confident | 80.4 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 107.5 | 177.1 | -73.2 | -84.4 | 0 | 0 | 0 | 110.8 | R197 L198 F199 T225 N226 F233 A268 | R197-F235 VanDerWaalsContact NH2-CG 3.32Å; L198-F235 CarbonylContact O-C 3.53Å; L198-F235 VanDerWaalsContact O-CA 3.24Å; L198-F235 WeakPolarHBondContact O-CA 3.34Å; F199-F235 HydrophobicContact CB-CD1 4.13Å; F199-F235 HydrophobicContact CB-CE1 4.03Å; F199-F235 HydrophobicContact CD2-CD1 4.19Å; F199-F235 AromaticContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE2 4.45Å; F199-F235 AromaticContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CE2-CZ 4.5Å; F199-F235 HydrophobicContact CG-CE1 4.35Å; T225-F235 WeakPolarHBondContact CA-O 3.4Å; T225-F235 WeakPolarHBondContact CB-O 3.48Å; T225-F235 PolarHBondContact N-O 2.78Å; T225-F235 PolarHBondContact O-N 2.84Å; T225-F235 WeakPolarHBondContact OG1-CB 3.21Å; T225-F235 PolarHBondContact OG1-O 3.13Å; N226-F235 HydrophobicContact CB-CD2 4.37Å; F233-F235 HydrophobicContact CD2-CD2 4.42Å; F233-F235 HydrophobicContact CD2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CD2 4.41Å; F233-F235 AromaticContact CE2-CE2 3.85Å; F233-F235 HydrophobicContact CE2-CE2 3.85Å; F235-A268 HydrophobicContact CD1-CB 3.71Å; F235-A268 HydrophobicContact CE1-CB 3.87Å |
| 236 | V | 87.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134 | 179 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | R197 L198 I200 F212 I216 G222 D223 P224 Y238 | R197-V236 CarbonylContact C-O 3.54Å; R197-V236 WeakPolarHBondContact CA-O 3.41Å; R197-V236 WeakPolarHBondContact CG-O 3.41Å; L198-V236 PolarHBondContact N-O 3.33Å; L198-V236 PolarHBondContact O-N 3.29Å; I200-V236 HydrophobicContact CD1-CB 4.35Å; I200-V236 HydrophobicContact CD1-CG2 3.68Å; F212-V236 HydrophobicContact CE1-CG2 4.14Å; F212-V236 HydrophobicContact CZ-CG2 4.2Å; I216-V236 HydrophobicContact CD1-CG2 3.93Å; I216-V236 HydrophobicContact CG1-CG2 3.92Å; I216-V236 HydrophobicContact CG2-CB 4.5Å; I216-V236 HydrophobicContact CG2-CG1 3.72Å; I216-V236 HydrophobicContact CG2-CG2 3.99Å; G222-V236 VanDerWaalsContact C-CG1 3.44Å; D223-V236 CarbonylContact O-C 3.6Å; D223-V236 WeakPolarHBondContact O-CA 3.31Å; P224-V236 HydrophobicContact CB-CG2 4.5Å; V236-Y238 HydrophobicContact CB-CE2 3.8Å; V236-Y238 HydrophobicContact CG1-CD2 3.99Å; V236-Y238 HydrophobicContact CG1-CE1 4.12Å; V236-Y238 HydrophobicContact CG1-CE2 3.36Å; V236-Y238 VanDerWaalsContact CG1-CZ 3.43Å |
| 237 | L | 86.4 | Confident | 81.9 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.9 | 175.2 | -175.5 | 70.1 | 0 | 0 | 0 | 108.8 | N196 R197 G222 D223 T225 | N196-L237 WeakPolarHBondContact ND2-CD1 3.38Å; R197-L237 HydrophobicContact CB-CD1 4.02Å; R197-L237 HydrophobicContact CG-CD1 4.12Å; G222-L237 CarbonylContact C-O 3.5Å; G222-L237 WeakPolarHBondContact CA-O 3.45Å; D223-L237 PolarHBondContact N-O 2.8Å; D223-L237 PolarHBondContact O-N 3.08Å; T225-L237 HydrophobicContact CG2-CB 3.95Å |
| 238 | Y | 85.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 156.2 | 177.7 | -64 | -93.8 | 0 | 0 | 0 | 111 | N196 L198 P221 V236 N240 C243 A244 S247 M251 | N196-Y238 PolarHBondContact ND2-O 3.33Å; N196-Y238 PolarHBondContact O-N 3.34Å; L198-Y238 HydrophobicContact CB-CE2 4.39Å; L198-Y238 HydrophobicContact CD1-CD2 4.47Å; L198-Y238 HydrophobicContact CD1-CE2 3.58Å; L198-Y238 HydrophobicContact CG-CD2 4.29Å; L198-Y238 HydrophobicContact CG-CE2 3.75Å; P221-Y238 WeakPolarHBondContact O-CD1 3.37Å; V236-Y238 HydrophobicContact CB-CE2 3.8Å; V236-Y238 HydrophobicContact CG1-CD2 3.99Å; V236-Y238 HydrophobicContact CG1-CE1 4.12Å; V236-Y238 HydrophobicContact CG1-CE2 3.36Å; V236-Y238 VanDerWaalsContact CG1-CZ 3.43Å; Y238-N240 VanDerWaalsContact C-N 3.32Å; Y238-N240 PolarHBondContact O-N 3.46Å; Y238-C243 HydrophobicContact CD1-CB 4.05Å; Y238-C243 HydrophobicContact CG-CB 4.32Å; Y238-A244 HydrophobicContact CD2-CB 3.62Å; Y238-A244 HydrophobicContact CE2-CB 4.42Å; Y238-A244 HydrophobicContact CG-CB 3.95Å; Y238-S247 WeakPolarHBondContact CE1-OG 3.46Å; Y238-S247 VanDerWaalsContact CZ-CB 3.41Å; Y238-S247 VanDerWaalsContact OH-CB 3.22Å; Y238-S247 WeakPolarHBondContact OH-CB 3.39Å; Y238-M251 WeakPolarHBondContact OH-CE 3.36Å |
| 239 | Y | 82.5 | Confident | 83.9 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -54 | -48.2 | 174 | -175.7 | -119.6 | 0 | 0 | 0 | 111.8 | L109 P113 H114 | L109-Y239 HydrophobicContact CD2-CD1 3.96Å; L109-Y239 HydrophobicContact CD2-CG 4.42Å; P113-Y239 HydrophobicContact CB-CE1 4.48Å; P113-Y239 HydrophobicContact CB-CE2 3.82Å; H114-Y239 VanDerWaalsContact CB-O 3.24Å; H114-Y239 WeakPolarHBondContact CB-O 3.33Å; H114-Y239 PolarHBondContact N-O 3.3Å |
| 240 | N | 82.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -125.8 | 156 | -174.2 | -65.2 | -18.2 | 0 | 0 | 0 | 112.3 | L108 L111 P112 P113 H114 Y238 A242 C243 A244 | L108-N240 PolarHBondContact O-ND2 2.99Å; L111-N240 PolarHBondContact O-ND2 2.94Å; P112-N240 PolarHBondContact O-OD1 2.75Å; P113-N240 WeakPolarHBondContact CA-OD1 3.45Å; H114-N240 PolarHBondContact N-OD1 3.49Å; Y238-N240 VanDerWaalsContact C-N 3.32Å; Y238-N240 PolarHBondContact O-N 3.46Å; N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 3.33Å; N240-C243 HydrophobicContact CB-CB 4.35Å; N240-C243 PolarHBondContact O-N 3.01Å; N240-A244 PolarHBondContact O-N 3.02Å |
| 241 | N | 85.4 | Confident | 85.2 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 168.6 | 167.2 | -102.4 | 0 | 0 | 0 | 111.7 | K195 A244 D245 W267 | K195-N241 PolarHBondContact O-ND2 2.89Å; N241-A244 CarbonylContact O-C 3.51Å; N241-A244 WeakPolarHBondContact O-CB 3.08Å; N241-A244 PolarHBondContact O-N 2.88Å; N241-A244 VanDerWaalsContact O-N 3.15Å; N241-D245 PolarHBondContact O-N 3.5Å; N241-W267 WeakPolarHBondContact ND2-CH2 3.43Å |
| 242 | A | 83.6 | Confident | 85.5 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 26% | 0.256 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L108 L111 N240 A244 D245 Y246 | L108-A242 HydrophobicContact CD2-CB 3.74Å; L111-A242 HydrophobicContact CD1-CB 3.35Å; N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 3.33Å; A242-A244 VanDerWaalsContact C-N 3.29Å; A242-A244 PolarHBondContact O-N 3.43Å; A242-D245 PolarHBondContact O-N 2.99Å; A242-Y246 WeakPolarHBondContact O-CB 3.46Å; A242-Y246 PolarHBondContact O-N 3.4Å |
| 243 | C | 85.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 171.4 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L108 Y238 N240 S247 | L108-C243 PolarHBondContact O-SG 3.09Å; Y238-C243 HydrophobicContact CD1-CB 4.05Å; Y238-C243 HydrophobicContact CG-CB 4.32Å; N240-C243 HydrophobicContact CB-CB 4.35Å; N240-C243 PolarHBondContact O-N 3.01Å; C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.49Å; C243-S247 PolarHBondContact O-N 3.41Å; C243-S247 VanDerWaalsContact O-N 3.08Å; C243-S247 PolarHBondContact O-OG 3.27Å |
| 244 | A | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L198 Y238 N240 N241 A242 R248 W267 | L198-A244 WeakPolarHBondContact CD1-O 3.37Å; L198-A244 HydrophobicContact CD2-CB 4.42Å; L198-A244 HydrophobicContact CG-CB 4.5Å; Y238-A244 HydrophobicContact CD2-CB 3.62Å; Y238-A244 HydrophobicContact CE2-CB 4.42Å; Y238-A244 HydrophobicContact CG-CB 3.95Å; N240-A244 PolarHBondContact O-N 3.02Å; N241-A244 CarbonylContact O-C 3.51Å; N241-A244 WeakPolarHBondContact O-CB 3.08Å; N241-A244 PolarHBondContact O-N 2.88Å; N241-A244 VanDerWaalsContact O-N 3.15Å; A242-A244 VanDerWaalsContact C-N 3.29Å; A242-A244 PolarHBondContact O-N 3.43Å; A244-R248 WeakPolarHBondContact O-CB 3.41Å; A244-R248 PolarHBondContact O-N 3.19Å; A244-W267 HydrophobicContact CB-CH2 3.87Å; A244-W267 HydrophobicContact CB-CZ3 3.62Å |
| 245 | D | 87.7 | Confident | 83.8 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.1 | -37.1 | 179.6 | -158.7 | 60.5 | 0 | 0 | 0 | 112.5 | N241 A242 S247 R248 Q249 W267 | N241-D245 PolarHBondContact O-N 3.5Å; A242-D245 PolarHBondContact O-N 2.99Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 3.07Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.35Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 2.66Å; D245-R248 PolarHBondContact OD1-NH1 3.44Å; D245-R248 IonicContact OD2-NH1 3.1Å; D245-Q249 VanDerWaalsContact O-CG 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.06Å; D245-Q249 PolarHBondContact OD2-NE2 3.02Å; D245-W267 HydrophobicContact CB-CH2 3.92Å; D245-W267 HydrophobicContact CB-CZ2 3.93Å; D245-W267 WeakPolarHBondContact OD1-CZ2 3.39Å |
| 246 | Y | 85.8 | Confident | 83.1 | Confident | 51 Ų | 51 | 51 Ų | 51 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.4 | -51.3 | 170.2 | -177.9 | -97.3 | 0 | 0 | 0 | 111 | D101 K104 Y105 L108 A242 R248 Q249 K250 | D101-Y246 PolarHBondContact OD1-OH 2.83Å; K104-Y246 HydrophobicContact CD-CE2 4.43Å; Y105-Y246 HydrophobicContact CD1-CE1 4.38Å; Y105-Y246 HydrophobicContact CE1-CD1 4.08Å; Y105-Y246 AromaticContact CE1-CE1 3.61Å; Y105-Y246 HydrophobicContact CE1-CE1 3.61Å; L108-Y246 HydrophobicContact CD1-CD1 3.95Å; L108-Y246 HydrophobicContact CD1-CD2 4.01Å; L108-Y246 HydrophobicContact CD1-CG 3.6Å; A242-Y246 WeakPolarHBondContact O-CB 3.46Å; A242-Y246 PolarHBondContact O-N 3.4Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 2.91Å; Y246-Q249 PolarHBondContact O-N 2.85Å; Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 WeakPolarHBondContact O-CB 3.43Å; Y246-K250 PolarHBondContact O-N 2.8Å |
| 247 | S | 87.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | Y238 C243 D245 M251 | Y238-S247 WeakPolarHBondContact CE1-OG 3.46Å; Y238-S247 VanDerWaalsContact CZ-CB 3.41Å; Y238-S247 VanDerWaalsContact OH-CB 3.22Å; Y238-S247 WeakPolarHBondContact OH-CB 3.39Å; C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.49Å; C243-S247 PolarHBondContact O-N 3.41Å; C243-S247 VanDerWaalsContact O-N 3.08Å; C243-S247 PolarHBondContact O-OG 3.27Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 3.07Å; S247-M251 WeakPolarHBondContact O-CB 3.46Å; S247-M251 WeakPolarHBondContact O-CG 3.18Å; S247-M251 PolarHBondContact O-N 3.28Å |
| 248 | R | 88.9 | Confident | 81.7 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 173.9 | 173.2 | -179.7 | 161 | -90.1 | -14.5 | 112 | L198 A244 D245 Y246 I252 V265 | L198-R248 HydrophobicContact CD1-CB 3.88Å; L198-R248 HydrophobicContact CD2-CB 3.88Å; L198-R248 HydrophobicContact CD2-CG 4.37Å; A244-R248 WeakPolarHBondContact O-CB 3.41Å; A244-R248 PolarHBondContact O-N 3.19Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.35Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 2.66Å; D245-R248 PolarHBondContact OD1-NH1 3.44Å; D245-R248 IonicContact OD2-NH1 3.1Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 2.91Å; R248-I252 HydrophobicContact CG-CD1 3.62Å; R248-I252 HydrophobicContact CG-CG1 4.45Å; R248-I252 WeakPolarHBondContact O-CB 3.42Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 WeakPolarHBondContact O-CG1 3.33Å; R248-I252 PolarHBondContact O-N 3.45Å; R248-V265 HydrophobicContact CB-CG1 4.27Å; R248-V265 HydrophobicContact CG-CG1 4.06Å |
| 249 | Q | 87.4 | Confident | 80.7 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -55.1 | 176.2 | -69.1 | 173.9 | 34.1 | 0 | 0 | 109.9 | D245 Y246 M251 I252 D253 | D245-Q249 VanDerWaalsContact O-CG 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.06Å; D245-Q249 PolarHBondContact OD2-NE2 3.02Å; Y246-Q249 PolarHBondContact O-N 2.85Å; Q249-M251 PolarHBondContact O-N 3.47Å; Q249-M251 VanDerWaalsContact O-N 3.09Å; Q249-I252 PolarHBondContact O-N 2.99Å; Q249-D253 PolarHBondContact O-N 3.29Å |
| 250 | K | 84.3 | Confident | 80.1 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -21.9 | -178.2 | -168.6 | 164 | 175 | -177.3 | 0 | 114.3 | D101 Y105 V219 Y246 F256 | D101-K250 IonicContact OD1-NZ 2.7Å; D101-K250 PolarHBondContact OD1-NZ 3.47Å; D101-K250 IonicContact OD2-NZ 2.77Å; D101-K250 PolarHBondContact OD2-NZ 2.86Å; Y105-K250 PolarHBondContact OH-NZ 3.02Å; V219-K250 HydrophobicContact CG1-CB 3.92Å; V219-K250 HydrophobicContact CG1-CD 4Å; V219-K250 HydrophobicContact CG1-CG 3.9Å; Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 WeakPolarHBondContact O-CB 3.43Å; Y246-K250 PolarHBondContact O-N 2.8Å; K250-F256 WeakPolarHBondContact O-CB 3.31Å |
| 251 | M | 82.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -96.3 | -20 | 172.4 | -63.4 | 176.3 | -163.7 | 0 | 0 | 115.3 | I200 I216 V219 Y238 S247 Q249 F256 P263 V265 | I200-M251 HydrophobicContact CD1-CE 4.23Å; I200-M251 HydrophobicContact CD1-SD 3.49Å; I200-M251 WeakPolarHBondContact CD1-SD 3.41Å; I200-M251 HydrophobicContact CG1-SD 4.38Å; I216-M251 HydrophobicContact CD1-CE 3.43Å; I216-M251 VanDerWaalsContact CD1-CE 3.43Å; I216-M251 HydrophobicContact CD1-SD 4.04Å; V219-M251 HydrophobicContact CB-CE 3.72Å; V219-M251 HydrophobicContact CG1-CE 3.42Å; V219-M251 VanDerWaalsContact CG1-CE 3.42Å; V219-M251 HydrophobicContact CG1-CG 3.94Å; V219-M251 HydrophobicContact CG2-CE 4.29Å; Y238-M251 WeakPolarHBondContact OH-CE 3.36Å; S247-M251 WeakPolarHBondContact O-CB 3.46Å; S247-M251 WeakPolarHBondContact O-CG 3.18Å; S247-M251 PolarHBondContact O-N 3.28Å; Q249-M251 PolarHBondContact O-N 3.47Å; Q249-M251 VanDerWaalsContact O-N 3.09Å; M251-F256 HydrophobicContact CB-CD1 3.87Å; M251-F256 HydrophobicContact CB-CE1 3.91Å; M251-F256 HydrophobicContact CG-CD1 4Å; M251-F256 HydrophobicContact CG-CE1 3.6Å; M251-F256 HydrophobicContact CG-CZ 3.93Å; M251-F256 HydrophobicContact SD-CE1 4.48Å; M251-P263 WeakPolarHBondContact O-CG 3.4Å; M251-V265 HydrophobicContact CB-CB 4.43Å; M251-V265 HydrophobicContact CB-CG2 3.6Å; M251-V265 HydrophobicContact SD-CG2 4.25Å |
| 252 | I | 83.8 | Confident | 79.3 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.1 | -28.1 | 171.8 | -73.9 | 171 | 0 | 0 | 0 | 110.5 | R248 Q249 S254 V265 | R248-I252 HydrophobicContact CG-CD1 3.62Å; R248-I252 HydrophobicContact CG-CG1 4.45Å; R248-I252 WeakPolarHBondContact O-CB 3.42Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 WeakPolarHBondContact O-CG1 3.33Å; R248-I252 PolarHBondContact O-N 3.45Å; Q249-I252 PolarHBondContact O-N 2.99Å; I252-S254 PolarHBondContact O-N 2.88Å; I252-V265 HydrophobicContact CG1-CB 4.06Å |
| 253 | D | 79.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -52.3 | 133.1 | 178.3 | -81 | -34.1 | 0 | 0 | 0 | 112.8 | Q249 N255 F256 | Q249-D253 PolarHBondContact O-N 3.29Å; D253-N255 PolarHBondContact O-N 3.4Å; D253-F256 PolarHBondContact O-N 2.77Å |
| 254 | S | 68.2 | Low | 79.2 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 72% | 0.72 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -3.6 | -174.8 | -70.3 | 0 | 0 | 0 | 0 | 115.2 | I252 K257 | I252-S254 PolarHBondContact O-N 2.88Å; S254-K257 WeakPolarHBondContact O-CE 3.38Å; S254-K257 PolarHBondContact O-NZ 3.1Å |
| 255 | N | 70.4 | Confident | 79.2 | Confident | 161 Ų | 161 | 64.6 Ų | 64.6 | 86% | 0.861 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -29.3 | 171 | -67.1 | -18.6 | 0 | 0 | 0 | 112 | D253 K257 | D253-N255 PolarHBondContact O-N 3.4Å; N255-K257 PolarHBondContact O-N 3.38Å |
| 256 | F | 72.1 | Confident | 79.3 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | trans | -84.7 | 113.7 | -176.5 | -168.6 | -99.9 | 0 | 0 | 0 | 111.2 | V215 V219 K250 M251 D253 L258 P263 | V215-F256 HydrophobicContact CG1-CE2 3.98Å; V215-F256 HydrophobicContact CG1-CZ 3.55Å; V219-F256 HydrophobicContact CG2-CD2 4.26Å; V219-F256 HydrophobicContact CG2-CE2 3.48Å; V219-F256 VanDerWaalsContact CG2-CE2 3.48Å; V219-F256 HydrophobicContact CG2-CZ 3.95Å; K250-F256 WeakPolarHBondContact O-CB 3.31Å; M251-F256 HydrophobicContact CB-CD1 3.87Å; M251-F256 HydrophobicContact CB-CE1 3.91Å; M251-F256 HydrophobicContact CG-CD1 4Å; M251-F256 HydrophobicContact CG-CE1 3.6Å; M251-F256 HydrophobicContact CG-CZ 3.93Å; M251-F256 HydrophobicContact SD-CE1 4.48Å; D253-F256 PolarHBondContact O-N 2.77Å; F256-L258 HydrophobicContact CD1-CD2 4.45Å; F256-L258 HydrophobicContact CE1-CD2 3.64Å; F256-L258 HydrophobicContact CE1-CG 4.36Å; F256-L258 HydrophobicContact CZ-CD2 3.86Å; F256-P263 HydrophobicContact CD1-CG 3.76Å; F256-P263 HydrophobicContact CE1-CG 3.96Å | ||
| 257 | K | 72.2 | Confident | 79.5 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 54% | 0.543 | 36% | 0.363 | S | S | . | . | trans | -139.9 | 117.8 | -175.3 | -66.1 | 178.6 | -174.7 | 157.6 | 0 | 111.7 | S254 N255 E259 N261 | S254-K257 WeakPolarHBondContact O-CE 3.38Å; S254-K257 PolarHBondContact O-NZ 3.1Å; N255-K257 PolarHBondContact O-N 3.38Å; K257-E259 PolarHBondContact O-N 3.02Å; K257-N261 CarbonylContact C-O 3.52Å; K257-N261 VanDerWaalsContact CA-O 3.32Å; K257-N261 WeakPolarHBondContact CA-O 3.39Å | ||
| 258 | L | 72 | Confident | 79.4 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 103.4 | 173.9 | -48 | -176.1 | 0 | 0 | 0 | 108.3 | I203 P204 W207 V215 F256 G260 N261 P263 | I203-L258 HydrophobicContact CG1-CD1 4.33Å; P204-L258 HydrophobicContact CG-CB 4.03Å; W207-L258 HydrophobicContact CH2-CB 4.06Å; W207-L258 HydrophobicContact CH2-CD2 3.59Å; W207-L258 HydrophobicContact CH2-CG 4.34Å; W207-L258 HydrophobicContact CZ2-CB 4.16Å; W207-L258 HydrophobicContact CZ2-CD2 4.49Å; W207-L258 HydrophobicContact CZ3-CB 4.44Å; W207-L258 HydrophobicContact CZ3-CD2 3.75Å; W207-L258 HydrophobicContact CZ3-CG 4.45Å; V215-L258 HydrophobicContact CG1-CD2 3.79Å; F256-L258 HydrophobicContact CD1-CD2 4.45Å; F256-L258 HydrophobicContact CE1-CD2 3.64Å; F256-L258 HydrophobicContact CE1-CG 4.36Å; F256-L258 HydrophobicContact CZ-CD2 3.86Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.18Å; L258-N261 PolarHBondContact N-O 3.4Å; L258-N261 WeakPolarHBondContact O-CB 3.2Å; L258-N261 PolarHBondContact O-N 2.84Å; L258-P263 HydrophobicContact CD1-CB 3.94Å; L258-P263 HydrophobicContact CD1-CG 4.47Å; L258-P263 HydrophobicContact CG-CB 4.33Å; L258-P263 HydrophobicContact CG-CG 4.38Å |
| 259 | E | 65.4 | Low | 78.9 | Confident | 137 Ų | 137 | 69.9 Ų | 69.9 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.9 | -174.8 | -75.6 | -66 | 142.8 | 0 | 0 | 113.3 | P204 W207 K257 N261 | P204-E259 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CG 4.49Å; W207-E259 HydrophobicContact CZ2-CG 4.25Å; W207-E259 VanDerWaalsContact NE1-CG 3.25Å; K257-E259 PolarHBondContact O-N 3.02Å; E259-N261 PolarHBondContact O-N 2.95Å |
| 260 | G | 69.3 | Low | 78.1 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -10.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L258 | L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.18Å |
| 261 | N | 71.8 | Confident | 77.1 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 136.5 | 170.8 | -68.2 | -41 | 0 | 0 | 0 | 110.8 | K257 L258 E259 | K257-N261 CarbonylContact C-O 3.52Å; K257-N261 VanDerWaalsContact CA-O 3.32Å; K257-N261 WeakPolarHBondContact CA-O 3.39Å; L258-N261 PolarHBondContact N-O 3.4Å; L258-N261 WeakPolarHBondContact O-CB 3.2Å; L258-N261 PolarHBondContact O-N 2.84Å; E259-N261 PolarHBondContact O-N 2.95Å |
| 262 | A | 79.4 | Confident | 75.6 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 51% | 0.512 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -73 | 129.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | N202 | N202-A262 PolarHBondContact ND2-O 3.2Š|
| 263 | P | 82.7 | Confident | 73.9 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.091 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 151 | 172.5 | 29.5 | -33.1 | 0 | 0 | 0 | 110.8 | I200 G201 M251 F256 L258 V265 | I200-P263 HydrophobicContact CG2-CB 4.13Å; G201-P263 WeakPolarHBondContact O-CA 3.26Å; M251-P263 WeakPolarHBondContact O-CG 3.4Å; F256-P263 HydrophobicContact CD1-CG 3.76Å; F256-P263 HydrophobicContact CE1-CG 3.96Å; L258-P263 HydrophobicContact CD1-CB 3.94Å; L258-P263 HydrophobicContact CD1-CG 4.47Å; L258-P263 HydrophobicContact CG-CB 4.33Å; L258-P263 HydrophobicContact CG-CG 4.38Å; P263-V265 HydrophobicContact CB-CG2 4.02Å; P263-V265 HydrophobicContact CG-CG2 4.05Å; P263-V265 PolarHBondContact O-N 3.44Å |
| 264 | T | 84.5 | Confident | 72.5 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 89.7 | 171.3 | -52.8 | 0 | 0 | 0 | 0 | 109 | G201 T266 | G201-T264 PolarHBondContact N-O 3.48Å; G201-T264 PolarHBondContact O-N 3.21Å; T264-T266 HydrophobicContact CG2-CG2 4.48Å |
| 265 | V | 88.6 | Confident | 71.6 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.1 | 179.8 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | L198 F199 I200 R248 M251 I252 P263 | L198-V265 HydrophobicContact CB-CG1 4.42Å; L198-V265 HydrophobicContact CD1-CG1 3.89Å; F199-V265 WeakPolarHBondContact O-CA 3.35Å; I200-V265 HydrophobicContact CG1-CG1 4.29Å; I200-V265 HydrophobicContact CG1-CG2 4.14Å; I200-V265 HydrophobicContact CG2-CG2 4.29Å; R248-V265 HydrophobicContact CB-CG1 4.27Å; R248-V265 HydrophobicContact CG-CG1 4.06Å; M251-V265 HydrophobicContact CB-CB 4.43Å; M251-V265 HydrophobicContact CB-CG2 3.6Å; M251-V265 HydrophobicContact SD-CG2 4.25Å; I252-V265 HydrophobicContact CG1-CB 4.06Å; P263-V265 HydrophobicContact CB-CG2 4.02Å; P263-V265 HydrophobicContact CG-CG2 4.05Å; P263-V265 PolarHBondContact O-N 3.44Å |
| 266 | T | 89.4 | Confident | 70.8 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 164.4 | 173.3 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | L198 F199 T264 A268 | L198-T266 WeakPolarHBondContact CA-O 3.07Å; F199-T266 PolarHBondContact N-O 3.18Å; F199-T266 PolarHBondContact O-N 3.13Å; T264-T266 HydrophobicContact CG2-CG2 4.48Å; T266-A268 PolarHBondContact O-N 3.04Å |
| 267 | W | 89.3 | Confident | 70.2 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 24% | 0.242 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 136.2 | 159.5 | -66.8 | 114.8 | 0 | 0 | 0 | 109.2 | K195 L198 N241 A244 D245 | K195-W267 HydrophobicContact CB-CD2 3.82Å; K195-W267 HydrophobicContact CB-CE3 3.41Å; K195-W267 VanDerWaalsContact CB-CE3 3.41Å; K195-W267 HydrophobicContact CB-CG 4.39Å; K195-W267 HydrophobicContact CB-CH2 4.45Å; K195-W267 HydrophobicContact CB-CZ3 3.79Å; K195-W267 HydrophobicContact CD-CB 3.91Å; K195-W267 HydrophobicContact CD-CD2 4.18Å; K195-W267 HydrophobicContact CD-CG 3.88Å; K195-W267 WeakPolarHBondContact O-CH2 3.48Å; K195-W267 WeakPolarHBondContact O-CZ3 3.34Å; L198-W267 HydrophobicContact CD2-CD2 4.25Å; L198-W267 HydrophobicContact CD2-CE3 3.55Å; L198-W267 HydrophobicContact CD2-CH2 4.26Å; L198-W267 HydrophobicContact CD2-CZ3 3.55Å; N241-W267 WeakPolarHBondContact ND2-CH2 3.43Å; A244-W267 HydrophobicContact CB-CH2 3.87Å; A244-W267 HydrophobicContact CB-CZ3 3.62Å; D245-W267 HydrophobicContact CB-CH2 3.92Å; D245-W267 HydrophobicContact CB-CZ2 3.93Å; D245-W267 WeakPolarHBondContact OD1-CZ2 3.39Å |
| 268 | A | 85.6 | Confident | 69.7 | Low | 8 Ų | 8 | 75.1 Ų | 75.1 | 7% | 0.066 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 144.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R197 F199 F235 T266 | R197-A268 HydrophobicContact CB-CB 4.11Å; R197-A268 HydrophobicContact CG-CB 3.9Å; R197-A268 WeakPolarHBondContact O-CB 3.31Å; R197-A268 PolarHBondContact O-N 3.44Å; F199-A268 HydrophobicContact CB-CB 4.26Å; F235-A268 HydrophobicContact CD1-CB 3.71Å; F235-A268 HydrophobicContact CE1-CB 3.87Å; T266-A268 PolarHBondContact O-N 3.04Å |
| 269 | D | 79.1 | Confident | 69.3 | Low | 137 Ų | 137 | 76.9 Ų | 76.9 | 73% | 0.733 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 141 | 167 | -58 | -55.9 | 0 | 0 | 0 | 109.8 | K271 | D269-K271 PolarHBondContact O-N 3.38Å; D269-K271 VanDerWaalsContact O-N 3.08Å |
| 270 | P | 69.3 | Low | 69.3 | Low | 115 Ų | 115 | 70.7 Ų | 70.7 | 75% | 0.747 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 121.2 | 176 | 23.9 | -32.9 | 0 | 0 | 0 | 108.5 | S272 | P270-S272 PolarHBondContact O-N 3.48Š|
| 271 | K | 63.7 | Low | 69.3 | Low | 148 Ų | 148 | 70 Ų | 70 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | trans | -64.7 | 105.4 | -178.8 | -178 | -167.7 | 174.6 | -161.4 | 0 | 107.3 | D269 S273 | D269-K271 PolarHBondContact O-N 3.38Å; D269-K271 VanDerWaalsContact O-N 3.08Å; K271-S273 PolarHBondContact O-N 2.89Å | ||
| 272 | S | 50.6 | Low | 69.4 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 74% | 0.741 | 43% | 0.43 | S | S | * | . | trans | -66.9 | 73.8 | 171.5 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | P270 | P270-S272 PolarHBondContact O-N 3.48Š| ||
| 273 | S | 48.6 | Very low | 69.4 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | trans | -73.3 | 131 | 164.1 | -149.2 | 0 | 0 | 0 | 0 | 106.5 | K271 E275 H276 | K271-S273 PolarHBondContact O-N 2.89Å; S273-E275 PolarHBondContact O-N 2.94Å; S273-E275 PolarHBondContact OG-OE2 3.24Å; S273-H276 PolarHBondContact O-N 2.89Å | ||
| 274 | P | 49.7 | Very low | 69.6 | Low | 73 Ų | 73 | 75.5 Ų | 75.5 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 18.2 | 179.7 | 32 | -37.3 | 0 | 0 | 0 | 113.7 | A280 | P274-A280 WeakPolarHBondContact O-CB 3.33Š|
| 275 | E | 50.6 | Low | 69.9 | Low | 132 Ų | 132 | 72.5 Ų | 72.5 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -27.1 | 171.8 | -58.4 | 146.2 | 146.7 | 0 | 0 | 111.7 | S273 | S273-E275 PolarHBondContact O-N 2.94Å; S273-E275 PolarHBondContact OG-OE2 3.24Å |
| 276 | H | 53.7 | Low | 69.9 | Low | 156 Ų | 156 | 72 Ų | 72 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -2.2 | -170.1 | -72.6 | 77.2 | 0 | 0 | 0 | 113.7 | S273 | S273-H276 PolarHBondContact O-N 2.89Š|
| 277 | S | 58.7 | Low | 69.9 | Low | 45 Ų | 45 | 72.2 Ų | 72.2 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -67.7 | 145.6 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | A279 A280 A281 | S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 3.04Å; S277-A280 CarbonylContact O-C 3.56Å; S277-A280 WeakPolarHBondContact O-CA 3.21Å; S277-A280 VanDerWaalsContact O-CB 3.26Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.09Å; S277-A281 PolarHBondContact O-N 3.11Å |
| 278 | A | 62 | Low | 69.9 | Low | 75 Ų | 75 | 69.2 Ų | 69.2 | 62% | 0.62 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -53.6 | -37.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A280 A281 Q282 | A278-A280 VanDerWaalsContact C-N 3.3Å; A278-A280 PolarHBondContact O-N 2.97Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 3.33Å; A278-Q282 PolarHBondContact O-N 3.44Å |
| 279 | A | 63.7 | Low | 69.9 | Low | 41 Ų | 41 | 72.4 Ų | 72.4 | 34% | 0.339 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -31.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S277 Q282 V283 P360 | S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 3.04Å; A279-Q282 PolarHBondContact O-N 3.07Å; A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 3.26Å; A279-P360 HydrophobicContact CB-CB 3.86Å; A279-P360 HydrophobicContact CB-CG 4.05Å |
| 280 | A | 65.7 | Low | 70.2 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 5% | 0.05 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.6 | -36.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | P274 S277 A278 Q282 V283 P360 | P274-A280 WeakPolarHBondContact O-CB 3.33Å; S277-A280 CarbonylContact O-C 3.56Å; S277-A280 WeakPolarHBondContact O-CA 3.21Å; S277-A280 VanDerWaalsContact O-CB 3.26Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.09Å; A278-A280 VanDerWaalsContact C-N 3.3Å; A278-A280 PolarHBondContact O-N 2.97Å; A280-Q282 PolarHBondContact O-N 2.78Å; A280-V283 PolarHBondContact O-N 3.31Å; A280-V283 VanDerWaalsContact O-N 3.13Å; A280-P360 HydrophobicContact CB-CG 4.5Å |
| 281 | A | 67.9 | Low | 70.9 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -11.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S277 A278 R333 | S277-A281 PolarHBondContact O-N 3.11Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 3.33Å; A281-R333 WeakPolarHBondContact O-CD 3.49Å; A281-R333 PolarHBondContact O-NE 3.33Å; A281-R333 PolarHBondContact O-NH1 2.75Å |
| 282 | Q | 74.5 | Confident | 71.7 | Confident | 148 Ų | 148 | 57.4 Ų | 57.4 | 69% | 0.692 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -0.7 | 174.5 | -68.7 | 174.3 | -17 | 0 | 0 | 113.9 | A278 A279 A280 K284 | A278-Q282 PolarHBondContact O-N 3.44Å; A279-Q282 PolarHBondContact O-N 3.07Å; A280-Q282 PolarHBondContact O-N 2.78Å; Q282-K284 PolarHBondContact O-N 3.48Å |
| 283 | V | 79.3 | Confident | 72.9 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -65.2 | 110.5 | -179.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | A279 A280 A285 L357 A358 P360 | A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 3.26Å; A280-V283 PolarHBondContact O-N 3.31Å; A280-V283 VanDerWaalsContact O-N 3.13Å; V283-A285 HydrophobicContact CG1-CB 4.49Å; V283-A285 WeakPolarHBondContact CG1-O 3.45Å; V283-L357 HydrophobicContact CG1-CB 4.4Å; V283-L357 HydrophobicContact CG1-CD2 3.92Å; V283-A358 HydrophobicContact CG1-CB 4.37Å; V283-A358 WeakPolarHBondContact CG1-O 3.36Å; V283-A358 WeakPolarHBondContact CG2-O 3.1Å; V283-P360 HydrophobicContact CG2-CB 3.93Å; V283-P360 HydrophobicContact CG2-CG 4.33Å | ||
| 284 | K | 87.5 | Confident | 74 | Confident | 105 Ų | 105 | 63.2 Ų | 63.2 | 46% | 0.457 | 34% | 0.34 | S | S | . | . | trans | -93.9 | 7.8 | 167.5 | -58.4 | -177 | 174.3 | -169.8 | 0 | 113.3 | Q282 Y330 A331 R333 | Q282-K284 PolarHBondContact O-N 3.48Å; K284-Y330 PolarHBondContact O-N 3.12Å; K284-A331 WeakPolarHBondContact CD-O 3.26Å; K284-A331 WeakPolarHBondContact CE-O 3.47Å; K284-A331 PolarHBondContact NZ-O 2.88Å; K284-R333 HydrophobicContact CG-CB 4.36Å | ||
| 285 | A | 90 | Very high | 75.3 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V283 V328 A358 | V283-A285 HydrophobicContact CG1-CB 4.49Å; V283-A285 WeakPolarHBondContact CG1-O 3.45Å; A285-V328 CarbonylContact C-O 3.47Å; A285-V328 VanDerWaalsContact CA-O 3.29Å; A285-V328 WeakPolarHBondContact CA-O 3.48Å; A285-A358 HydrophobicContact CB-CB 3.91Å; A285-A358 VanDerWaalsContact O-CB 3.23Å; A285-A358 WeakPolarHBondContact O-CB 3.14Å; A285-A358 PolarHBondContact O-N 3.47Å |
| 286 | L | 89.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 146.3 | 172.1 | -57 | -175.1 | 0 | 0 | 0 | 110.6 | V288 F304 F327 V328 Y330 A336 A339 V340 V355 V356 L357 | L286-V288 HydrophobicContact CB-CG2 4.26Å; L286-F304 HydrophobicContact CD1-CD1 4.08Å; L286-F304 HydrophobicContact CD1-CE1 4.06Å; L286-F327 WeakPolarHBondContact O-CA 3.5Å; L286-V328 HydrophobicContact CB-CB 4.4Å; L286-V328 PolarHBondContact N-O 3.44Å; L286-V328 PolarHBondContact O-N 3.3Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CG-CE2 3.98Å; L286-A336 HydrophobicContact CD2-CB 4.11Å; L286-A339 HydrophobicContact CD1-CB 3.8Å; L286-V340 HydrophobicContact CD2-CG2 3.44Å; L286-V340 VanDerWaalsContact CD2-CG2 3.44Å; L286-V355 HydrophobicContact CB-CG1 4.42Å; L286-V355 HydrophobicContact CD1-CG1 3.72Å; L286-V355 HydrophobicContact CG-CG1 4.47Å; L286-V356 CarbonylContact C-O 3.48Å; L286-V356 WeakPolarHBondContact CA-O 3.34Å; L286-L357 HydrophobicContact CD2-CD2 4.27Å |
| 287 | Y | 89.1 | Confident | 78.2 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122 | 160.5 | 174.4 | -104.8 | 0 | 0 | 0 | 108 | K289 F325 F327 V356 | Y287-K289 HydrophobicContact CD1-CB 4.45Å; Y287-K289 HydrophobicContact CE1-CB 3.72Å; Y287-K289 HydrophobicContact CE1-CD 3.94Å; Y287-K289 HydrophobicContact CE1-CG 4.48Å; Y287-F325 HydrophobicContact CE2-CB 3.82Å; Y287-F325 AromaticContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CG 4.04Å; Y287-F327 HydrophobicContact CD2-CD1 4.23Å; Y287-F327 AromaticContact CD2-CE1 3.66Å; Y287-F327 HydrophobicContact CD2-CE1 3.66Å; Y287-F327 AromaticContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CE2-CZ 4.33Å; Y287-F327 HydrophobicContact CG-CE1 4.46Å; Y287-V356 PolarHBondContact N-O 3.33Å; Y287-V356 PolarHBondContact O-N 2.95Å |
| 288 | V | 88.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.8 | -177.8 | -177.2 | 0 | 0 | 0 | 0 | 108 | L286 I291 F304 F325 G326 V328 L353 E354 V355 | L286-V288 HydrophobicContact CB-CG2 4.26Å; V288-I291 HydrophobicContact CB-CD1 4.2Å; V288-I291 HydrophobicContact CG1-CD1 3.97Å; V288-I291 HydrophobicContact CG1-CG1 3.88Å; V288-F304 HydrophobicContact CG1-CE2 4.17Å; V288-F304 HydrophobicContact CG1-CZ 4.13Å; V288-F304 HydrophobicContact CG2-CE1 4.5Å; V288-F304 HydrophobicContact CG2-CE2 3.81Å; V288-F304 HydrophobicContact CG2-CZ 3.67Å; V288-F325 CarbonylContact O-C 3.6Å; V288-F325 WeakPolarHBondContact O-CA 3.03Å; V288-G326 PolarHBondContact N-O 3.03Å; V288-G326 PolarHBondContact O-N 2.83Å; V288-V328 HydrophobicContact CG2-CG2 3.92Å; V288-L353 HydrophobicContact CG1-CB 4.18Å; V288-L353 HydrophobicContact CG1-CD1 3.86Å; V288-L353 HydrophobicContact CG1-CG 4.42Å; V288-E354 WeakPolarHBondContact CA-O 3.42Å; V288-V355 HydrophobicContact CG1-CG2 4.37Å; V288-V355 HydrophobicContact CG2-CG2 4.42Å |
| 289 | K | 86.6 | Confident | 80.6 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 33% | 0.33 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159.8 | -174.9 | 164.6 | 165.5 | 166.4 | -90.2 | 0 | 111 | Y287 D324 L353 E354 | Y287-K289 HydrophobicContact CD1-CB 4.45Å; Y287-K289 HydrophobicContact CE1-CB 3.72Å; Y287-K289 HydrophobicContact CE1-CD 3.94Å; Y287-K289 HydrophobicContact CE1-CG 4.48Å; K289-D324 CarbonylContact C-O 3.46Å; K289-L353 WeakPolarHBondContact O-CA 3.32Å; K289-E354 HydrophobicContact CB-CB 4.09Å; K289-E354 HydrophobicContact CG-CB 4.33Å; K289-E354 PolarHBondContact N-O 3.27Å; K289-E354 IonicContact NZ-OE1 2.59Å; K289-E354 PolarHBondContact NZ-OE1 3.28Å; K289-E354 IonicContact NZ-OE2 3.02Å; K289-E354 PolarHBondContact NZ-OE2 2.86Å; K289-E354 PolarHBondContact O-N 3.1Å |
| 290 | N | 85.5 | Confident | 81.7 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 66.8 | 33.1 | -173 | -161.3 | 48.4 | 0 | 0 | 0 | 113.5 | P292 D324 P352 L353 | N290-P292 WeakPolarHBondContact O-CD 3.45Å; N290-D324 PolarHBondContact N-O 2.88Å; N290-P352 PolarHBondContact ND2-O 3.42Å; N290-L353 WeakPolarHBondContact O-CD2 3.23Å |
| 291 | I | 84.2 | Confident | 82.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | trans | -68.7 | 127.6 | 177.5 | -56.4 | 178.5 | 0 | 0 | 0 | 109.5 | V288 T295 L300 T315 D324 L353 | V288-I291 HydrophobicContact CB-CD1 4.2Å; V288-I291 HydrophobicContact CG1-CD1 3.97Å; V288-I291 HydrophobicContact CG1-CG1 3.88Å; I291-T295 HydrophobicContact CG2-CG2 4.35Å; I291-L300 HydrophobicContact CD1-CD1 4.14Å; I291-L300 HydrophobicContact CD1-CD2 4.4Å; I291-L300 HydrophobicContact CG2-CD1 4.36Å; I291-T315 HydrophobicContact CD1-CG2 4.45Å; I291-D324 PolarHBondContact N-O 3.46Å; I291-L353 HydrophobicContact CB-CD2 4.48Å; I291-L353 HydrophobicContact CG1-CD2 4.18Å | ||
| 292 | P | 78.7 | Confident | 83.7 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 5% | 0.045 | 31% | 0.311 | C | S | . | . | trans | -64.5 | 140 | 174.7 | -16.8 | 24.4 | 0 | 0 | 0 | 111.9 | N290 N294 T295 V348 N349 Q351 | N290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-N294 PolarHBondContact O-N 3.26Å; P292-N294 VanDerWaalsContact O-N 3.07Å; P292-T295 WeakPolarHBondContact CB-OG1 3.36Å; P292-T295 VanDerWaalsContact CD-OG1 3.26Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 WeakPolarHBondContact CG-OG1 3.24Å; P292-T295 VanDerWaalsContact O-CB 3.26Å; P292-T295 WeakPolarHBondContact O-CB 3.15Å; P292-T295 PolarHBondContact O-N 2.9Å; P292-T295 PolarHBondContact O-OG1 2.98Å; P292-V348 HydrophobicContact CG-CB 4.07Å; P292-V348 HydrophobicContact CG-CG1 4.2Å; P292-V348 VanDerWaalsContact CG-O 3.23Å; P292-V348 WeakPolarHBondContact CG-O 3.42Å; P292-N349 HydrophobicContact CG-CB 4.36Å; P292-Q351 HydrophobicContact CG-CB 4.16Å; P292-Q351 HydrophobicContact CG-CG 4.28Å | ||
| 293 | E | 75.8 | Confident | 84.2 | Confident | 101 Ų | 101 | 58.2 Ų | 58.2 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.7 | -176.1 | -165.8 | 160.9 | -131 | 0 | 0 | 113.9 | K322 R323 | E293-K322 WeakPolarHBondContact OE1-CA 3.29Å; E293-R323 PolarHBondContact O-NH2 2.81Å |
| 294 | N | 73.3 | Confident | 84.6 | Confident | 145 Ų | 145 | 57.6 Ų | 57.6 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.5 | 175.2 | -70.8 | -10.2 | 0 | 0 | 0 | 114.6 | P292 | P292-N294 PolarHBondContact O-N 3.26Å; P292-N294 VanDerWaalsContact O-N 3.07Å |
| 295 | T | 76.1 | Confident | 84.6 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | trans | -76.1 | 131.6 | -174.1 | -46.9 | 0 | 0 | 0 | 0 | 111 | I291 P292 Q299 L300 V348 | I291-T295 HydrophobicContact CG2-CG2 4.35Å; P292-T295 WeakPolarHBondContact CB-OG1 3.36Å; P292-T295 VanDerWaalsContact CD-OG1 3.26Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 WeakPolarHBondContact CG-OG1 3.24Å; P292-T295 VanDerWaalsContact O-CB 3.26Å; P292-T295 WeakPolarHBondContact O-CB 3.15Å; P292-T295 PolarHBondContact O-N 2.9Å; P292-T295 PolarHBondContact O-OG1 2.98Å; T295-Q299 HydrophobicContact CG2-CB 4.04Å; T295-L300 HydrophobicContact CG2-CD2 4.32Å; T295-L300 HydrophobicContact CG2-CG 3.98Å; T295-V348 HydrophobicContact CG2-CG1 3.8Å | ||
| 296 | S | 81.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | trans | -83.8 | 159 | 173.2 | 83.9 | 0 | 0 | 0 | 0 | 111.9 | E298 Q299 L300 | S296-E298 PolarHBondContact O-N 2.84Å; S296-E298 WeakPolarHBondContact OG-CB 3.43Å; S296-E298 PolarHBondContact OG-N 3.02Å; S296-E298 PolarHBondContact OG-OE2 3.14Å; S296-Q299 PolarHBondContact O-N 2.95Å; S296-Q299 PolarHBondContact OG-N 3.47Å; S296-Q299 VanDerWaalsContact OG-N 3.1Å; S296-L300 PolarHBondContact O-N 3.14Å | ||
| 297 | T | 84.9 | Confident | 84.1 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -25.4 | 170.2 | 41.3 | 0 | 0 | 0 | 0 | 112.3 | K301 I313 | T297-K301 PolarHBondContact O-N 3.08Å; T297-I313 HydrophobicContact CG2-CG2 4.09Å; T297-I313 VanDerWaalsContact O-CD1 3.29Å; T297-I313 WeakPolarHBondContact O-CD1 3.43Å |
| 298 | E | 86.1 | Confident | 84 | Confident | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72 | -42.4 | 176.4 | -57.3 | 145.2 | 159.4 | 0 | 0 | 110.9 | S296 L300 K301 E302 | S296-E298 PolarHBondContact O-N 2.84Å; S296-E298 WeakPolarHBondContact OG-CB 3.43Å; S296-E298 PolarHBondContact OG-N 3.02Å; S296-E298 PolarHBondContact OG-OE2 3.14Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.33Å; E298-K301 CarbonylContact O-C 3.49Å; E298-K301 WeakPolarHBondContact O-CA 3.48Å; E298-K301 WeakPolarHBondContact O-CB 3.38Å; E298-K301 PolarHBondContact O-N 3.14Å; E298-E302 PolarHBondContact O-N 3.42Å |
| 299 | Q | 85.1 | Confident | 84 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 174.1 | -72.5 | 174.6 | -31.9 | 0 | 0 | 111.7 | T295 S296 K301 E302 L303 | T295-Q299 HydrophobicContact CG2-CB 4.04Å; S296-Q299 PolarHBondContact O-N 2.95Å; S296-Q299 PolarHBondContact OG-N 3.47Å; S296-Q299 VanDerWaalsContact OG-N 3.1Å; Q299-K301 VanDerWaalsContact C-N 3.32Å; Q299-E302 PolarHBondContact O-N 2.7Å; Q299-L303 WeakPolarHBondContact O-CB 3.16Å; Q299-L303 WeakPolarHBondContact O-CD1 3.26Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.38Å; Q299-L303 PolarHBondContact O-N 3.33Å; Q299-L303 VanDerWaalsContact O-N 3.07Å |
| 300 | L | 86.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 171.8 | -70 | 167 | 0 | 0 | 0 | 111.3 | I291 T295 S296 E298 F304 I313 L353 | I291-L300 HydrophobicContact CD1-CD1 4.14Å; I291-L300 HydrophobicContact CD1-CD2 4.4Å; I291-L300 HydrophobicContact CG2-CD1 4.36Å; T295-L300 HydrophobicContact CG2-CD2 4.32Å; T295-L300 HydrophobicContact CG2-CG 3.98Å; S296-L300 PolarHBondContact O-N 3.14Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.33Å; L300-F304 HydrophobicContact CD2-CE2 4.14Å; L300-F304 VanDerWaalsContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CD2 3.02Å; L300-F304 PolarHBondContact O-N 2.76Å; L300-F304 VanDerWaalsContact O-N 3.11Å; L300-I313 HydrophobicContact CB-CD1 4.04Å; L300-I313 HydrophobicContact CD1-CG2 4.4Å; L300-L353 HydrophobicContact CD2-CD1 4.31Å |
| 301 | K | 87.4 | Confident | 84.4 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 175.4 | -161 | -173.9 | -178.2 | -172.7 | 0 | 111 | T297 E298 Q299 L303 F304 Q305 V310 I313 | T297-K301 PolarHBondContact O-N 3.08Å; E298-K301 CarbonylContact O-C 3.49Å; E298-K301 WeakPolarHBondContact O-CA 3.48Å; E298-K301 WeakPolarHBondContact O-CB 3.38Å; E298-K301 PolarHBondContact O-N 3.14Å; Q299-K301 VanDerWaalsContact C-N 3.32Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.67Å; K301-F304 PolarHBondContact O-N 2.97Å; K301-Q305 VanDerWaalsContact CE-OE1 3.25Å; K301-Q305 WeakPolarHBondContact O-CA 3.46Å; K301-Q305 WeakPolarHBondContact O-CB 3.24Å; K301-Q305 PolarHBondContact O-N 2.69Å; K301-V310 HydrophobicContact CG-CB 4.23Å; K301-V310 HydrophobicContact CG-CG1 4.32Å; K301-I313 HydrophobicContact CB-CD1 3.68Å; K301-I313 HydrophobicContact CG-CD1 4.24Å |
| 302 | E | 86.7 | Confident | 84.6 | Confident | 142 Ų | 142 | 73.1 Ų | 73.1 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | -178.2 | -170.1 | -177.5 | 175.9 | 0 | 0 | 112.8 | E298 Q299 | E298-E302 PolarHBondContact O-N 3.42Å; Q299-E302 PolarHBondContact O-N 2.7Å |
| 303 | L | 85.9 | Confident | 85.1 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.4 | -52.6 | 175.7 | -72.6 | 163.4 | 0 | 0 | 0 | 112.2 | Q299 K301 R306 V348 | Q299-L303 WeakPolarHBondContact O-CB 3.16Å; Q299-L303 WeakPolarHBondContact O-CD1 3.26Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.38Å; Q299-L303 PolarHBondContact O-N 3.33Å; Q299-L303 VanDerWaalsContact O-N 3.07Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.67Å; L303-R306 WeakPolarHBondContact O-CG 3.36Å; L303-V348 HydrophobicContact CD1-CG2 3.41Å; L303-V348 VanDerWaalsContact CD1-CG2 3.41Å |
| 304 | F | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -79.2 | -25.8 | -174.4 | -74.1 | -65.3 | 0 | 0 | 0 | 113.4 | L286 V288 L300 K301 R306 H307 V310 V328 Y330 A339 Y346 L353 V355 | L286-F304 HydrophobicContact CD1-CD1 4.08Å; L286-F304 HydrophobicContact CD1-CE1 4.06Å; V288-F304 HydrophobicContact CG1-CE2 4.17Å; V288-F304 HydrophobicContact CG1-CZ 4.13Å; V288-F304 HydrophobicContact CG2-CE1 4.5Å; V288-F304 HydrophobicContact CG2-CE2 3.81Å; V288-F304 HydrophobicContact CG2-CZ 3.67Å; L300-F304 HydrophobicContact CD2-CE2 4.14Å; L300-F304 VanDerWaalsContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CD2 3.02Å; L300-F304 PolarHBondContact O-N 2.76Å; L300-F304 VanDerWaalsContact O-N 3.11Å; K301-F304 PolarHBondContact O-N 2.97Å; F304-R306 PolarHBondContact O-N 2.89Å; F304-H307 PolarHBondContact O-N 2.66Å; F304-H307 VanDerWaalsContact O-N 3.08Å; F304-V310 HydrophobicContact CB-CG2 3.97Å; F304-V328 HydrophobicContact CB-CG1 3.94Å; F304-V328 HydrophobicContact CD2-CG1 4.28Å; F304-V328 HydrophobicContact CD2-CG2 3.83Å; F304-V328 HydrophobicContact CE2-CG2 4.14Å; F304-V328 HydrophobicContact CG-CG1 4.15Å; F304-V328 HydrophobicContact CG-CG2 4.45Å; F304-Y330 WeakPolarHBondContact CB-OH 3.36Å; F304-Y330 WeakPolarHBondContact O-CE1 3.49Å; F304-Y330 PolarHBondContact O-OH 3.21Å; F304-A339 HydrophobicContact CD1-CB 4.42Å; F304-Y346 HydrophobicContact CD1-CE1 4.41Å; F304-Y346 HydrophobicContact CE1-CD1 4.36Å; F304-Y346 HydrophobicContact CE1-CD2 4.12Å; F304-Y346 HydrophobicContact CE1-CE1 4.17Å; F304-Y346 AromaticContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CG 4.33Å; F304-Y346 AromaticContact CE1-CZ 3.92Å; F304-Y346 HydrophobicContact CZ-CD2 4.42Å; F304-Y346 HydrophobicContact CZ-CG 4.45Å; F304-L353 HydrophobicContact CE2-CD1 4.43Å; F304-L353 HydrophobicContact CZ-CD1 4.41Å; F304-V355 HydrophobicContact CE1-CG1 4.16Å; F304-V355 HydrophobicContact CE1-CG2 4.03Å; F304-V355 HydrophobicContact CZ-CG2 3.78Å |
| 305 | Q | 88.2 | Confident | 86.2 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -62.3 | -16.2 | 177.9 | -174.3 | 166.1 | -15 | 0 | 0 | 113.2 | K301 H307 G308 V310 | K301-Q305 VanDerWaalsContact CE-OE1 3.25Å; K301-Q305 WeakPolarHBondContact O-CA 3.46Å; K301-Q305 WeakPolarHBondContact O-CB 3.24Å; K301-Q305 PolarHBondContact O-N 2.69Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 2.63Å; Q305-G308 WeakPolarHBondContact CA-O 3.36Å; Q305-G308 PolarHBondContact O-N 3.02Å; Q305-V310 HydrophobicContact CB-CG2 4.37Å |
| 306 | R | 85.4 | Confident | 86.4 | Confident | 181 Ų | 181 | 68.4 Ų | 68.4 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -59.1 | -30.9 | 171.3 | -65.5 | 179.7 | 175.1 | -156.4 | -4 | 114.1 | L303 F304 | L303-R306 WeakPolarHBondContact O-CG 3.36Å; F304-R306 PolarHBondContact O-N 2.89Å |
| 307 | H | 83.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -96.5 | -7.6 | -176.9 | -51.9 | -94.7 | 0 | 0 | 0 | 112.6 | F304 Q305 S335 K338 A339 D342 Y346 | F304-H307 PolarHBondContact O-N 2.66Å; F304-H307 VanDerWaalsContact O-N 3.08Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 2.63Å; H307-S335 WeakPolarHBondContact O-CA 3.16Å; H307-S335 VanDerWaalsContact O-CB 3.31Å; H307-S335 WeakPolarHBondContact O-CB 3.45Å; H307-S335 PolarHBondContact O-OG 3.08Å; H307-K338 HydrophobicContact CB-CB 4.11Å; H307-A339 HydrophobicContact CB-CB 3.95Å; H307-D342 IonicContact CE1-OD2 2.77Å; H307-D342 PolarHBondContact CE1-OD2 2.76Å; H307-D342 VanDerWaalsContact CE1-OD2 3.24Å; H307-D342 IonicContact ND1-OD2 2.72Å; H307-D342 PolarHBondContact ND1-OD2 2.89Å; H307-Y346 PolarHBondContact CD2-OH 2.82Å; H307-Y346 VanDerWaalsContact CD2-OH 3.29Å; H307-Y346 PolarHBondContact CE1-OH 2.85Å; H307-Y346 AromaticContact NE2-CE1 3.41Å; H307-Y346 WeakPolarHBondContact NE2-CE1 3.37Å; H307-Y346 AromaticContact NE2-CZ 3.52Å; H307-Y346 PolarHBondContact NE2-OH 3.34Å |
| 308 | G | 86.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 69 Ų | 69 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 150 | -178.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | Q305 V310 Y330 | Q305-G308 WeakPolarHBondContact CA-O 3.36Å; Q305-G308 PolarHBondContact O-N 3.02Å; G308-V310 PolarHBondContact O-N 2.79Å; G308-Y330 WeakPolarHBondContact O-CE1 3.44Å |
| 309 | E | 90.5 | Very high | 83.3 | Confident | 130 Ų | 130 | 73.1 Ų | 73.1 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | trans | -69.2 | 122.4 | -172.8 | -166.5 | -168.7 | 161.6 | 0 | 0 | 113.7 | Y330 A331 | E309-Y330 CarbonylContact O-C 3.57Å; E309-Y330 WeakPolarHBondContact O-CA 3.29Å; E309-Y330 WeakPolarHBondContact O-CD1 3.46Å; E309-A331 HydrophobicContact CB-CB 4.18Å; E309-A331 PolarHBondContact O-N 3Å | ||
| 310 | V | 91 | Very high | 82.2 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 108.3 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | K301 F304 Q305 G308 I313 V328 H329 Y330 | K301-V310 HydrophobicContact CG-CB 4.23Å; K301-V310 HydrophobicContact CG-CG1 4.32Å; F304-V310 HydrophobicContact CB-CG2 3.97Å; Q305-V310 HydrophobicContact CB-CG2 4.37Å; G308-V310 PolarHBondContact O-N 2.79Å; V310-I313 HydrophobicContact CG1-CD1 4Å; V310-I313 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG2-CG1 3.99Å; V310-H329 CarbonylContact C-O 3.56Å; V310-H329 WeakPolarHBondContact CA-O 3.26Å; V310-Y330 HydrophobicContact CG2-CD1 3.95Å; V310-Y330 HydrophobicContact CG2-CE1 3.65Å |
| 311 | T | 89 | Confident | 80.9 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -32.4 | -177 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | H329 A331 | T311-H329 PolarHBondContact N-O 3.01Å; T311-H329 PolarHBondContact OG1-O 3.22Å; T311-A331 HydrophobicContact CG2-CB 3.82Å |
| 312 | K | 87.6 | Confident | 79.6 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 137.9 | -176.7 | -166.7 | 175.8 | -173.7 | 168.3 | 0 | 112.4 | V314 H329 | K312-V314 HydrophobicContact CD-CG2 4.19Å; K312-V314 HydrophobicContact CG-CG2 4.04Å; K312-H329 HydrophobicContact CB-CB 4.01Å; K312-H329 PolarHBondContact N-O 3.25Å; K312-H329 PolarHBondContact O-N 3.1Å |
| 313 | I | 89.3 | Confident | 78.8 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.5 | 169.9 | -59.9 | 176.1 | 0 | 0 | 0 | 108.4 | T297 L300 K301 V310 F327 V328 | T297-I313 HydrophobicContact CG2-CG2 4.09Å; T297-I313 VanDerWaalsContact O-CD1 3.29Å; T297-I313 WeakPolarHBondContact O-CD1 3.43Å; L300-I313 HydrophobicContact CB-CD1 4.04Å; L300-I313 HydrophobicContact CD1-CG2 4.4Å; K301-I313 HydrophobicContact CB-CD1 3.68Å; K301-I313 HydrophobicContact CG-CD1 4.24Å; V310-I313 HydrophobicContact CG1-CD1 4Å; V310-I313 HydrophobicContact CG1-CG1 3.69Å; I313-F327 WeakPolarHBondContact CA-O 3.49Å; I313-V328 HydrophobicContact CG1-CG1 4.41Å; I313-V328 HydrophobicContact CG1-CG2 4.42Å |
| 314 | V | 86.7 | Confident | 78.5 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 112.7 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | K312 P316 G326 F327 | K312-V314 HydrophobicContact CD-CG2 4.19Å; K312-V314 HydrophobicContact CG-CG2 4.04Å; V314-P316 HydrophobicContact CG1-CG 4.36Å; V314-P316 WeakPolarHBondContact O-CD 3.23Å; V314-G326 CarbonylContact O-C 3.6Å; V314-G326 VanDerWaalsContact O-CA 3.31Å; V314-G326 WeakPolarHBondContact O-CA 3.21Å; V314-F327 HydrophobicContact CB-CB 4.45Å; V314-F327 PolarHBondContact N-O 3.22Å; V314-F327 PolarHBondContact O-N 2.97Å |
| 315 | T | 84.8 | Confident | 78.5 | Confident | 36 Ų | 36 | 80.6 Ų | 80.6 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | trans | -114.6 | 90.2 | 179.4 | -41.4 | 0 | 0 | 0 | 0 | 109.2 | I291 R323 F325 | I291-T315 HydrophobicContact CD1-CG2 4.45Å; T315-R323 HydrophobicContact CG2-CB 4.26Å; T315-F325 WeakPolarHBondContact CG2-O 3.46Å | ||
| 316 | P | 80.6 | Confident | 78.6 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 143.4 | -175 | -21.5 | 35.2 | 0 | 0 | 0 | 111.8 | V314 G318 F325 F327 | V314-P316 HydrophobicContact CG1-CG 4.36Å; V314-P316 WeakPolarHBondContact O-CD 3.23Å; P316-G318 PolarHBondContact O-N 3.05Å; P316-F325 HydrophobicContact CB-CE2 4.12Å; P316-F325 HydrophobicContact CB-CZ 4.15Å; P316-F325 HydrophobicContact CG-CE2 3.82Å; P316-F325 HydrophobicContact CG-CZ 4.36Å; P316-F327 HydrophobicContact CG-CD2 4.37Å; P316-F327 HydrophobicContact CG-CE2 4.24Å |
| 317 | P | 70.9 | Confident | 78.8 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 118.5 | 171 | 27.7 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 318 | G | 63.8 | Low | 79.2 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -69 | 161.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | P316 G320 G321 K322 | P316-G318 PolarHBondContact O-N 3.05Å; G318-G320 PolarHBondContact O-N 2.8Å; G318-G321 PolarHBondContact O-N 2.78Å; G318-K322 WeakPolarHBondContact CA-O 3.02Å; G318-K322 PolarHBondContact N-O 2.87Å |
| 319 | K | 53.5 | Low | 79.4 | Confident | 229 Ų | 229 | 70.8 Ų | 70.8 | 100% | 0.996 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 91.4 | 177.1 | -79.1 | -174.9 | 175.3 | 178.1 | 0 | 110.6 | ||
| 320 | G | 61.1 | Low | 79.5 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 78% | 0.784 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.2 | 7.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G318 K322 | G318-G320 PolarHBondContact O-N 2.8Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 2.85Å |
| 321 | G | 59.7 | Low | 79.3 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 90.9 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G318 | G318-G321 PolarHBondContact O-N 2.78Š|
| 322 | K | 60.9 | Low | 79.3 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | trans | -63.7 | 145.9 | 176.8 | -59.2 | -166 | 173.4 | -166.2 | 0 | 112 | E293 G318 G320 | E293-K322 WeakPolarHBondContact OE1-CA 3.29Å; G318-K322 WeakPolarHBondContact CA-O 3.02Å; G318-K322 PolarHBondContact N-O 2.87Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 2.85Å | ||
| 323 | R | 68.9 | Low | 79.3 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 44% | 0.438 | 36% | 0.36 | S | S | . | . | trans | -109.7 | 61.8 | 177.9 | -64.3 | -174.8 | -67.3 | -167.6 | 1.3 | 110.1 | E293 T315 | E293-R323 PolarHBondContact O-NH2 2.81Å; T315-R323 HydrophobicContact CG2-CB 4.26Å | ||
| 324 | D | 79.7 | Confident | 79.1 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | -82.3 | -8.6 | -170.4 | 57.6 | -45.8 | 0 | 0 | 0 | 114.7 | K289 N290 I291 | K289-D324 CarbonylContact C-O 3.46Å; N290-D324 PolarHBondContact N-O 2.88Å; I291-D324 PolarHBondContact N-O 3.46Å | ||
| 325 | F | 87.8 | Confident | 79.3 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.6 | 175.4 | 69 | -82.7 | 0 | 0 | 0 | 113 | Y287 V288 T315 P316 F327 | Y287-F325 HydrophobicContact CE2-CB 3.82Å; Y287-F325 AromaticContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CG 4.04Å; V288-F325 CarbonylContact O-C 3.6Å; V288-F325 WeakPolarHBondContact O-CA 3.03Å; T315-F325 WeakPolarHBondContact CG2-O 3.46Å; P316-F325 HydrophobicContact CB-CE2 4.12Å; P316-F325 HydrophobicContact CB-CZ 4.15Å; P316-F325 HydrophobicContact CG-CE2 3.82Å; P316-F325 HydrophobicContact CG-CZ 4.36Å; F325-F327 HydrophobicContact CD2-CE2 4.24Å; F325-F327 HydrophobicContact CE2-CE2 4.15Å |
| 326 | G | 88.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V288 V314 | V288-G326 PolarHBondContact N-O 3.03Å; V288-G326 PolarHBondContact O-N 2.83Å; V314-G326 CarbonylContact O-C 3.6Å; V314-G326 VanDerWaalsContact O-CA 3.31Å; V314-G326 WeakPolarHBondContact O-CA 3.21Å |
| 327 | F | 91.4 | Very high | 79.6 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.9 | 178.9 | -60.3 | -89.9 | 0 | 0 | 0 | 110.2 | L286 Y287 I313 V314 P316 F325 A358 | L286-F327 WeakPolarHBondContact O-CA 3.5Å; Y287-F327 HydrophobicContact CD2-CD1 4.23Å; Y287-F327 AromaticContact CD2-CE1 3.66Å; Y287-F327 HydrophobicContact CD2-CE1 3.66Å; Y287-F327 AromaticContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CE2-CZ 4.33Å; Y287-F327 HydrophobicContact CG-CE1 4.46Å; I313-F327 WeakPolarHBondContact CA-O 3.49Å; V314-F327 HydrophobicContact CB-CB 4.45Å; V314-F327 PolarHBondContact N-O 3.22Å; V314-F327 PolarHBondContact O-N 2.97Å; P316-F327 HydrophobicContact CG-CD2 4.37Å; P316-F327 HydrophobicContact CG-CE2 4.24Å; F325-F327 HydrophobicContact CD2-CE2 4.24Å; F325-F327 HydrophobicContact CE2-CE2 4.15Å; F327-A358 HydrophobicContact CD1-CB 4.13Å; F327-A358 HydrophobicContact CE1-CB 4.4Å |
| 328 | V | 90.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 116.6 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | A285 L286 V288 F304 V310 I313 | A285-V328 CarbonylContact C-O 3.47Å; A285-V328 VanDerWaalsContact CA-O 3.29Å; A285-V328 WeakPolarHBondContact CA-O 3.48Å; L286-V328 HydrophobicContact CB-CB 4.4Å; L286-V328 PolarHBondContact N-O 3.44Å; L286-V328 PolarHBondContact O-N 3.3Å; V288-V328 HydrophobicContact CG2-CG2 3.92Å; F304-V328 HydrophobicContact CB-CG1 3.94Å; F304-V328 HydrophobicContact CD2-CG1 4.28Å; F304-V328 HydrophobicContact CD2-CG2 3.83Å; F304-V328 HydrophobicContact CE2-CG2 4.14Å; F304-V328 HydrophobicContact CG-CG1 4.15Å; F304-V328 HydrophobicContact CG-CG2 4.45Å; V310-V328 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG2-CG1 3.99Å; I313-V328 HydrophobicContact CG1-CG1 4.41Å; I313-V328 HydrophobicContact CG1-CG2 4.42Å |
| 329 | H | 90.6 | Very high | 81.3 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.5 | 179.4 | -60.6 | -114.2 | 0 | 0 | 0 | 109.7 | V310 T311 K312 | V310-H329 CarbonylContact C-O 3.56Å; V310-H329 WeakPolarHBondContact CA-O 3.26Å; T311-H329 PolarHBondContact N-O 3.01Å; T311-H329 PolarHBondContact OG1-O 3.22Å; K312-H329 HydrophobicContact CB-CB 4.01Å; K312-H329 PolarHBondContact N-O 3.25Å; K312-H329 PolarHBondContact O-N 3.1Å |
| 330 | Y | 91.8 | Very high | 82.9 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 160.3 | 171.1 | -70.9 | -85.4 | 0 | 0 | 0 | 111.9 | K284 L286 F304 G308 E309 V310 E332 A336 A339 | K284-Y330 PolarHBondContact O-N 3.12Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CG-CE2 3.98Å; F304-Y330 WeakPolarHBondContact CB-OH 3.36Å; F304-Y330 WeakPolarHBondContact O-CE1 3.49Å; F304-Y330 PolarHBondContact O-OH 3.21Å; G308-Y330 WeakPolarHBondContact O-CE1 3.44Å; E309-Y330 CarbonylContact O-C 3.57Å; E309-Y330 WeakPolarHBondContact O-CA 3.29Å; E309-Y330 WeakPolarHBondContact O-CD1 3.46Å; V310-Y330 HydrophobicContact CG2-CD1 3.95Å; V310-Y330 HydrophobicContact CG2-CE1 3.65Å; Y330-E332 VanDerWaalsContact C-N 3.33Å; Y330-E332 VanDerWaalsContact CB-O 3.25Å; Y330-E332 WeakPolarHBondContact CB-O 3.43Å; Y330-A336 HydrophobicContact CD2-CB 3.82Å; Y330-A336 HydrophobicContact CE2-CB 4.33Å; Y330-A339 HydrophobicContact CE2-CB 4.38Å; Y330-A339 WeakPolarHBondContact OH-CB 3.31Å |
| 331 | A | 88.6 | Confident | 83.8 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65 | -37.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K284 E309 T311 | K284-A331 WeakPolarHBondContact CD-O 3.26Å; K284-A331 WeakPolarHBondContact CE-O 3.47Å; K284-A331 PolarHBondContact NZ-O 2.88Å; E309-A331 HydrophobicContact CB-CB 4.18Å; E309-A331 PolarHBondContact O-N 3Å; T311-A331 HydrophobicContact CG2-CB 3.82Å |
| 332 | E | 87 | Confident | 84.1 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | trans | -116.5 | 152.1 | -178.7 | -68.4 | -172.2 | -152.5 | 0 | 0 | 113.7 | Y330 S334 | Y330-E332 VanDerWaalsContact C-N 3.33Å; Y330-E332 VanDerWaalsContact CB-O 3.25Å; Y330-E332 WeakPolarHBondContact CB-O 3.43Å; E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 WeakPolarHBondContact CB-OG 3.36Å; E332-S334 WeakPolarHBondContact OE2-CB 3.41Å; E332-S334 PolarHBondContact OE2-OG 2.68Å | ||
| 333 | R | 87.8 | Confident | 83.9 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.2 | -28.6 | 169.1 | -179.9 | 173 | 177.4 | -123.3 | 1.6 | 112.2 | A281 K284 S335 A336 L337 | A281-R333 WeakPolarHBondContact O-CD 3.49Å; A281-R333 PolarHBondContact O-NE 3.33Å; A281-R333 PolarHBondContact O-NH1 2.75Å; K284-R333 HydrophobicContact CG-CB 4.36Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.39Å; R333-A336 PolarHBondContact O-N 3.07Å; R333-L337 HydrophobicContact CG-CD1 4.01Å; R333-L337 HydrophobicContact CG-CG 4.15Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 2.95Å |
| 334 | S | 86.9 | Confident | 83.8 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.4 | -47.7 | 177 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | E332 L337 K338 | E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 WeakPolarHBondContact CB-OG 3.36Å; E332-S334 WeakPolarHBondContact OE2-CB 3.41Å; E332-S334 PolarHBondContact OE2-OG 2.68Å; S334-L337 PolarHBondContact O-N 2.71Å; S334-K338 WeakPolarHBondContact O-CG 3.39Å; S334-K338 PolarHBondContact O-N 3.41Å |
| 335 | S | 89.1 | Confident | 83.4 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 179.2 | -43.9 | 0 | 0 | 0 | 0 | 112.5 | H307 R333 L337 K338 A339 | H307-S335 WeakPolarHBondContact O-CA 3.16Å; H307-S335 VanDerWaalsContact O-CB 3.31Å; H307-S335 WeakPolarHBondContact O-CB 3.45Å; H307-S335 PolarHBondContact O-OG 3.08Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.39Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 3.15Å; S335-K338 PolarHBondContact O-N 3.05Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.81Å |
| 336 | A | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L286 Y330 R333 V340 L357 | L286-A336 HydrophobicContact CD2-CB 4.11Å; Y330-A336 HydrophobicContact CD2-CB 3.82Å; Y330-A336 HydrophobicContact CE2-CB 4.33Å; R333-A336 PolarHBondContact O-N 3.07Å; A336-V340 WeakPolarHBondContact O-CG2 3.38Å; A336-V340 PolarHBondContact O-N 3.08Å; A336-L357 HydrophobicContact CB-CD2 4.38Å |
| 337 | L | 85.8 | Confident | 82.5 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.6 | -39.7 | 175.1 | -69.9 | 173.9 | 0 | 0 | 0 | 112.2 | R333 S334 S335 V340 K341 L357 | R333-L337 HydrophobicContact CG-CD1 4.01Å; R333-L337 HydrophobicContact CG-CG 4.15Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 2.95Å; S334-L337 PolarHBondContact O-N 2.71Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 3.15Å; L337-V340 PolarHBondContact O-N 2.69Å; L337-K341 WeakPolarHBondContact O-CB 3.43Å; L337-K341 PolarHBondContact O-N 2.72Å; L337-L357 HydrophobicContact CD2-CD1 4.2Å |
| 338 | K | 85.7 | Confident | 81.8 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.6 | -56.1 | 172.4 | -74 | 169.3 | -178.9 | 172 | 0 | 110.5 | H307 S334 S335 V340 K341 D342 | H307-K338 HydrophobicContact CB-CB 4.11Å; S334-K338 WeakPolarHBondContact O-CG 3.39Å; S334-K338 PolarHBondContact O-N 3.41Å; S335-K338 PolarHBondContact O-N 3.05Å; K338-V340 PolarHBondContact O-N 2.99Å; K338-K341 PolarHBondContact O-N 2.59Å; K338-D342 WeakPolarHBondContact O-CB 3.5Å; K338-D342 PolarHBondContact O-N 3.11Å |
| 339 | A | 85.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | 2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L286 F304 H307 Y330 S335 Y346 | L286-A339 HydrophobicContact CD1-CB 3.8Å; F304-A339 HydrophobicContact CD1-CB 4.42Å; H307-A339 HydrophobicContact CB-CB 3.95Å; Y330-A339 HydrophobicContact CE2-CB 4.38Å; Y330-A339 WeakPolarHBondContact OH-CB 3.31Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.81Å; A339-Y346 WeakPolarHBondContact CA-OH 3.19Å; A339-Y346 WeakPolarHBondContact CB-OH 3.45Å |
| 340 | V | 85.5 | Confident | 80.1 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -115.9 | -24.5 | 170.2 | 173 | 0 | 0 | 0 | 0 | 111.8 | L286 A336 L337 K338 V355 L357 | L286-V340 HydrophobicContact CD2-CG2 3.44Å; L286-V340 VanDerWaalsContact CD2-CG2 3.44Å; A336-V340 WeakPolarHBondContact O-CG2 3.38Å; A336-V340 PolarHBondContact O-N 3.08Å; L337-V340 PolarHBondContact O-N 2.69Å; K338-V340 PolarHBondContact O-N 2.99Å; V340-V355 HydrophobicContact CG2-CG1 4.22Å; V340-L357 HydrophobicContact CG2-CG 4.4Å |
| 341 | K | 79.7 | Confident | 79.4 | Confident | 182 Ų | 182 | 79.2 Ų | 79.2 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -89.5 | -31.2 | 178.3 | -171.5 | 178.3 | 179.2 | -176 | 0 | 112.4 | L337 K338 T343 | L337-K341 WeakPolarHBondContact O-CB 3.43Å; L337-K341 PolarHBondContact O-N 2.72Å; K338-K341 PolarHBondContact O-N 2.59Å; K341-T343 PolarHBondContact O-N 2.9Å |
| 342 | D | 66.3 | Low | 79.2 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -62.4 | 115.4 | 169.7 | -73.5 | -39.9 | 0 | 0 | 0 | 108.5 | H307 K338 E344 | H307-D342 IonicContact CE1-OD2 2.77Å; H307-D342 PolarHBondContact CE1-OD2 2.76Å; H307-D342 VanDerWaalsContact CE1-OD2 3.24Å; H307-D342 IonicContact ND1-OD2 2.72Å; H307-D342 PolarHBondContact ND1-OD2 2.89Å; K338-D342 WeakPolarHBondContact O-CB 3.5Å; K338-D342 PolarHBondContact O-N 3.11Å; D342-E344 PolarHBondContact O-N 2.82Å |
| 343 | T | 58.2 | Low | 79.1 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 89% | 0.89 | 39% | 0.387 | S | S | * | . | trans | -74.9 | 17.7 | 179.3 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | K341 R345 | K341-T343 PolarHBondContact O-N 2.9Å; T343-R345 PolarHBondContact O-N 2.86Å | ||
| 344 | E | 64.9 | Low | 79 | Confident | 119 Ų | 119 | 75.2 Ų | 75.2 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -66.3 | 118.7 | 171.4 | -67.1 | -153.1 | 141.6 | 0 | 0 | 109.6 | D342 Y346 | D342-E344 PolarHBondContact O-N 2.82Å; E344-Y346 PolarHBondContact O-N 2.93Å; E344-Y346 VanDerWaalsContact O-N 3.09Å | ||
| 345 | R | 72.1 | Confident | 79.1 | Confident | 206 Ų | 206 | 74.4 Ų | 74.4 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | trans | -75.2 | 100.1 | 168.1 | -67.8 | -177.3 | -179.4 | 179.3 | 1.3 | 108 | T343 E347 | T343-R345 PolarHBondContact O-N 2.86Å; R345-E347 PolarHBondContact O-N 2.82Å | ||
| 346 | Y | 78.6 | Confident | 79 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 6% | 0.059 | 40% | 0.4 | C | S | . | . | trans | -57.9 | 106.4 | 169.4 | -55.9 | -80.6 | 0 | 0 | 0 | 109.3 | F304 H307 A339 E344 L353 V355 | F304-Y346 HydrophobicContact CD1-CE1 4.41Å; F304-Y346 HydrophobicContact CE1-CD1 4.36Å; F304-Y346 HydrophobicContact CE1-CD2 4.12Å; F304-Y346 HydrophobicContact CE1-CE1 4.17Å; F304-Y346 AromaticContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CG 4.33Å; F304-Y346 AromaticContact CE1-CZ 3.92Å; F304-Y346 HydrophobicContact CZ-CD2 4.42Å; F304-Y346 HydrophobicContact CZ-CG 4.45Å; H307-Y346 PolarHBondContact CD2-OH 2.82Å; H307-Y346 VanDerWaalsContact CD2-OH 3.29Å; H307-Y346 PolarHBondContact CE1-OH 2.85Å; H307-Y346 AromaticContact NE2-CE1 3.41Å; H307-Y346 WeakPolarHBondContact NE2-CE1 3.37Å; H307-Y346 AromaticContact NE2-CZ 3.52Å; H307-Y346 PolarHBondContact NE2-OH 3.34Å; A339-Y346 WeakPolarHBondContact CA-OH 3.19Å; A339-Y346 WeakPolarHBondContact CB-OH 3.45Å; E344-Y346 PolarHBondContact O-N 2.93Å; E344-Y346 VanDerWaalsContact O-N 3.09Å; Y346-L353 WeakPolarHBondContact O-CB 3.26Å; Y346-L353 WeakPolarHBondContact O-CG 3.26Å; Y346-L353 PolarHBondContact O-N 2.94Å; Y346-V355 HydrophobicContact CD2-CB 4.43Å; Y346-V355 HydrophobicContact CD2-CG2 3.62Å; Y346-V355 HydrophobicContact CE2-CB 4.46Å; Y346-V355 HydrophobicContact CE2-CG2 4.04Å | ||
| 347 | E | 80.1 | Confident | 79 | Confident | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | 177.3 | -75 | -173.8 | -173.4 | 0 | 0 | 110.3 | R345 Q351 P352 | R345-E347 PolarHBondContact O-N 2.82Å; E347-Q351 WeakPolarHBondContact CA-O 3.47Å; E347-P352 HydrophobicContact CG-CB 4.05Å |
| 348 | V | 74.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.7 | -179.4 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | P292 T295 L303 G350 Q351 L353 | P292-V348 HydrophobicContact CG-CB 4.07Å; P292-V348 HydrophobicContact CG-CG1 4.2Å; P292-V348 VanDerWaalsContact CG-O 3.23Å; P292-V348 WeakPolarHBondContact CG-O 3.42Å; T295-V348 HydrophobicContact CG2-CG1 3.8Å; L303-V348 HydrophobicContact CD1-CG2 3.41Å; L303-V348 VanDerWaalsContact CD1-CG2 3.41Å; V348-G350 PolarHBondContact O-N 3.35Å; V348-G350 VanDerWaalsContact O-N 3.1Å; V348-Q351 PolarHBondContact N-O 3.25Å; V348-Q351 PolarHBondContact O-N 3.34Å; V348-L353 HydrophobicContact CG2-CD1 3.73Å; V348-L353 HydrophobicContact CG2-CD2 4.34Å; V348-L353 HydrophobicContact CG2-CG 4.03Å |
| 349 | N | 72 | Confident | 78.9 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 58% | 0.578 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 29.8 | -174 | -59.8 | -58 | 0 | 0 | 0 | 113.7 | P292 | P292-N349 HydrophobicContact CG-CB 4.36Š|
| 350 | G | 74.7 | Confident | 78.2 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 15.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V348 | V348-G350 PolarHBondContact O-N 3.35Å; V348-G350 VanDerWaalsContact O-N 3.1Å |
| 351 | Q | 77.3 | Confident | 77.2 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.7 | 169.6 | -52.1 | -163 | -91 | 0 | 0 | 110.1 | P292 E347 V348 | P292-Q351 HydrophobicContact CG-CB 4.16Å; P292-Q351 HydrophobicContact CG-CG 4.28Å; E347-Q351 WeakPolarHBondContact CA-O 3.47Å; V348-Q351 PolarHBondContact N-O 3.25Å; V348-Q351 PolarHBondContact O-N 3.34Å |
| 352 | P | 84.9 | Confident | 76.1 | Confident | 61 Ų | 61 | 82 Ų | 82 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.3 | 174.6 | 29.5 | -33.8 | 0 | 0 | 0 | 110.6 | N290 E347 | N290-P352 PolarHBondContact ND2-O 3.42Å; E347-P352 HydrophobicContact CG-CB 4.05Å |
| 353 | L | 85.1 | Confident | 75.2 | Confident | 15 Ų | 15 | 86.9 Ų | 86.9 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | trans | -79.1 | 145.8 | 171.9 | -55.2 | -177.5 | 0 | 0 | 0 | 110.3 | V288 K289 N290 I291 L300 F304 Y346 V348 V355 | V288-L353 HydrophobicContact CG1-CB 4.18Å; V288-L353 HydrophobicContact CG1-CD1 3.86Å; V288-L353 HydrophobicContact CG1-CG 4.42Å; K289-L353 WeakPolarHBondContact O-CA 3.32Å; N290-L353 WeakPolarHBondContact O-CD2 3.23Å; I291-L353 HydrophobicContact CB-CD2 4.48Å; I291-L353 HydrophobicContact CG1-CD2 4.18Å; L300-L353 HydrophobicContact CD2-CD1 4.31Å; F304-L353 HydrophobicContact CE2-CD1 4.43Å; F304-L353 HydrophobicContact CZ-CD1 4.41Å; Y346-L353 WeakPolarHBondContact O-CB 3.26Å; Y346-L353 WeakPolarHBondContact O-CG 3.26Å; Y346-L353 PolarHBondContact O-N 2.94Å; V348-L353 HydrophobicContact CG2-CD1 3.73Å; V348-L353 HydrophobicContact CG2-CD2 4.34Å; V348-L353 HydrophobicContact CG2-CG 4.03Å; L353-V355 HydrophobicContact CB-CG2 4.25Å | ||
| 354 | E | 85.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 91.3 Ų | 91.3 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 108.7 | 172.6 | 179.6 | -178.6 | 134.9 | 0 | 0 | 108.1 | V288 K289 | V288-E354 WeakPolarHBondContact CA-O 3.42Å; K289-E354 HydrophobicContact CB-CB 4.09Å; K289-E354 HydrophobicContact CG-CB 4.33Å; K289-E354 PolarHBondContact N-O 3.27Å; K289-E354 IonicContact NZ-OE1 2.59Å; K289-E354 PolarHBondContact NZ-OE1 3.28Å; K289-E354 IonicContact NZ-OE2 3.02Å; K289-E354 PolarHBondContact NZ-OE2 2.86Å; K289-E354 PolarHBondContact O-N 3.1Å |
| 355 | V | 87.9 | Confident | 73.1 | Confident | 28 Ų | 28 | 94.7 Ų | 94.7 | 17% | 0.17 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.6 | -173.3 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | L286 V288 F304 V340 Y346 L353 | L286-V355 HydrophobicContact CB-CG1 4.42Å; L286-V355 HydrophobicContact CD1-CG1 3.72Å; L286-V355 HydrophobicContact CG-CG1 4.47Å; V288-V355 HydrophobicContact CG1-CG2 4.37Å; V288-V355 HydrophobicContact CG2-CG2 4.42Å; F304-V355 HydrophobicContact CE1-CG1 4.16Å; F304-V355 HydrophobicContact CE1-CG2 4.03Å; F304-V355 HydrophobicContact CZ-CG2 3.78Å; V340-V355 HydrophobicContact CG2-CG1 4.22Å; Y346-V355 HydrophobicContact CD2-CB 4.43Å; Y346-V355 HydrophobicContact CD2-CG2 3.62Å; Y346-V355 HydrophobicContact CE2-CB 4.46Å; Y346-V355 HydrophobicContact CE2-CG2 4.04Å; L353-V355 HydrophobicContact CB-CG2 4.25Å |
| 356 | V | 87.4 | Confident | 71.4 | Confident | 71 Ų | 71 | 93.2 Ų | 93.2 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.5 | -178.2 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | L286 Y287 A358 | L286-V356 CarbonylContact C-O 3.48Å; L286-V356 WeakPolarHBondContact CA-O 3.34Å; Y287-V356 PolarHBondContact N-O 3.33Å; Y287-V356 PolarHBondContact O-N 2.95Å; V356-A358 PolarHBondContact O-N 2.93Å |
| 357 | L | 88.3 | Confident | 69.6 | Low | 53 Ų | 53 | 97.7 Ų | 97.7 | 28% | 0.277 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 133.2 | 166.7 | -76.4 | 167.9 | 0 | 0 | 0 | 110.3 | V283 L286 A336 L337 V340 | V283-L357 HydrophobicContact CG1-CB 4.4Å; V283-L357 HydrophobicContact CG1-CD2 3.92Å; L286-L357 HydrophobicContact CD2-CD2 4.27Å; A336-L357 HydrophobicContact CB-CD2 4.38Å; L337-L357 HydrophobicContact CD2-CD1 4.2Å; V340-L357 HydrophobicContact CG2-CG 4.4Å |
| 358 | A | 86.4 | Confident | 67.9 | Low | 9 Ų | 9 | 96.6 Ų | 96.6 | 7% | 0.074 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 139.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V283 A285 F327 V356 | V283-A358 HydrophobicContact CG1-CB 4.37Å; V283-A358 WeakPolarHBondContact CG1-O 3.36Å; V283-A358 WeakPolarHBondContact CG2-O 3.1Å; A285-A358 HydrophobicContact CB-CB 3.91Å; A285-A358 VanDerWaalsContact O-CB 3.23Å; A285-A358 WeakPolarHBondContact O-CB 3.14Å; A285-A358 PolarHBondContact O-N 3.47Å; F327-A358 HydrophobicContact CD1-CB 4.13Å; F327-A358 HydrophobicContact CE1-CB 4.4Å; V356-A358 PolarHBondContact O-N 2.93Å |
| 359 | K | 82.2 | Confident | 66.4 | Low | 165 Ų | 165 | 100.4 Ų | 100.4 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 127.6 | 170.2 | -66.9 | 177.8 | -178.4 | 176.2 | 0 | 107.8 | Q361 | K359-Q361 PolarHBondContact O-N 3.35Å; K359-Q361 VanDerWaalsContact O-N 3.08Å |
| 360 | P | 70.4 | Confident | 64.8 | Low | 44 Ų | 44 | 100.8 Ų | 100.8 | 29% | 0.286 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 121.3 | 177.6 | 23.7 | -32.4 | 0 | 0 | 0 | 108.1 | A279 A280 V283 A362 | A279-P360 HydrophobicContact CB-CB 3.86Å; A279-P360 HydrophobicContact CB-CG 4.05Å; A280-P360 HydrophobicContact CB-CG 4.5Å; V283-P360 HydrophobicContact CG2-CB 3.93Å; V283-P360 HydrophobicContact CG2-CG 4.33Å; P360-A362 PolarHBondContact O-N 2.77Å; P360-A362 VanDerWaalsContact O-N 3.11Å |
| 361 | Q | 65.5 | Low | 63.1 | Low | 161 Ų | 161 | 107.4 Ų | 107.4 | 75% | 0.752 | 55% | 0.547 | S | S | * | . | trans | -71.9 | 106.9 | 166.8 | -64.1 | -162.8 | 23 | 0 | 0 | 105.8 | K359 E363 | K359-Q361 PolarHBondContact O-N 3.35Å; K359-Q361 VanDerWaalsContact O-N 3.08Å; Q361-E363 PolarHBondContact O-N 3.03Å | ||
| 362 | A | 56.6 | Low | 61.3 | Low | 87 Ų | 87 | 108.8 Ų | 108.8 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | trans | -51 | 118.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107 | P360 R364 | P360-A362 PolarHBondContact O-N 2.77Å; P360-A362 VanDerWaalsContact O-N 3.11Å; A362-R364 PolarHBondContact O-N 2.78Å | ||
| 363 | E | 47.6 | Very low | 58.9 | Low | 174 Ų | 174 | 117.6 Ų | 117.6 | 81% | 0.813 | 59% | 0.593 | S | S | * | * | trans | -57.3 | 116 | -167.1 | -67.5 | -169.9 | 154.4 | 0 | 0 | 109.6 | Q361 K365 | Q361-E363 PolarHBondContact O-N 3.03Å; E363-K365 PolarHBondContact O-N 3.35Å | ||
| 364 | R | 41.3 | Very low | 56.6 | Low | 237 Ų | 237 | 119.9 Ų | 119.9 | 89% | 0.894 | 62% | 0.62 | S | S | * | * | trans | -71 | 77.8 | 166.4 | -70.7 | -74.4 | -168.2 | 134.1 | 3 | 106.3 | A362 H366 | A362-R364 PolarHBondContact O-N 2.78Å; R364-H366 PolarHBondContact O-N 3.07Å | ||
| 365 | K | 37 | Very low | 54.3 | Low | 190 Ų | 190 | 120.4 Ų | 120.4 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | trans | -41.8 | 119.9 | 165.9 | -85.9 | -162.5 | 172.2 | -167.4 | 0 | 106.2 | E363 D367 | E363-K365 PolarHBondContact O-N 3.35Å; K365-D367 PolarHBondContact O-N 2.82Å | ||
| 366 | H | 36.7 | Very low | 52.3 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | -77.9 | 77.1 | -168.3 | -175.6 | 17.8 | 0 | 0 | 0 | 109.5 | R364 P368 | R364-H366 PolarHBondContact O-N 3.07Å; H366-P368 WeakPolarHBondContact O-CD 3.35Å; H366-P368 VanDerWaalsContact O-N 3.16Å | ||
| 367 | D | 40.3 | Very low | 50.2 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | trans | -55.2 | 115.2 | 167.9 | -179.2 | -9.1 | 0 | 0 | 0 | 108.4 | K365 S369 | K365-D367 PolarHBondContact O-N 2.82Å; D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 VanDerWaalsContact O-N 3.16Å; D367-S369 WeakPolarHBondContact OD1-CB 3.04Å; D367-S369 PolarHBondContact OD1-N 3.43Å | ||
| 368 | P | 45.4 | Very low | 48.3 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -8.4 | -179.4 | -20.2 | 34.6 | 0 | 0 | 0 | 113.4 | H366 S370 Y371 | H366-P368 WeakPolarHBondContact O-CD 3.35Å; H366-P368 VanDerWaalsContact O-N 3.16Å; P368-S370 VanDerWaalsContact C-N 3.25Å; P368-S370 PolarHBondContact O-N 2.91Å; P368-S370 VanDerWaalsContact O-N 3.16Å; P368-Y371 WeakPolarHBondContact O-CD2 3.35Å; P368-Y371 WeakPolarHBondContact O-CE2 3.4Å |
| 369 | S | 42.3 | Very low | 46 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -8.1 | -169.9 | -170.1 | 0 | 0 | 0 | 0 | 115.6 | D367 Y371 | D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 VanDerWaalsContact O-N 3.16Å; D367-S369 WeakPolarHBondContact OD1-CB 3.04Å; D367-S369 PolarHBondContact OD1-N 3.43Å; S369-Y371 PolarHBondContact O-N 3.37Å |
| 370 | S | 37.8 | Very low | 44.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 45.6 | -172.5 | -174 | 0 | 0 | 0 | 0 | 115 | P368 | P368-S370 VanDerWaalsContact C-N 3.25Å; P368-S370 PolarHBondContact O-N 2.91Å; P368-S370 VanDerWaalsContact O-N 3.16Å | ||
| 371 | Y | 40.1 | Very low | 43.1 | Very low | 203 Ų | 203 | 135 Ų | 135 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -75.7 | 137.1 | 174.8 | -74.3 | -77.7 | 0 | 0 | 0 | 112.9 | P368 S369 | P368-Y371 WeakPolarHBondContact O-CD2 3.35Å; P368-Y371 WeakPolarHBondContact O-CE2 3.4Å; S369-Y371 PolarHBondContact O-N 3.37Å | ||
| 372 | S | 38.9 | Very low | 42 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 140.7 | -170.7 | -168.8 | 0 | 0 | 0 | 0 | 114.2 | G374 | S372-G374 PolarHBondContact O-N 2.95Š| ||
| 373 | Y | 34.8 | Very low | 41.2 | Very low | 245 Ų | 245 | 139.1 Ų | 139.1 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 101.9 | 168 | -97.2 | -104.2 | 0 | 0 | 0 | 110.2 | ||||
| 374 | G | 36.5 | Very low | 40.9 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 40.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | S372 | S372-G374 PolarHBondContact O-N 2.95Š| ||
| 375 | A | 37.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 71.5 | 155.7 | 162 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 376 | A | 45.1 | Very low | 41.5 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 67.3 | 114 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 377 | P | 42.7 | Very low | 41.9 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -98.9 | 136.7 | 167.8 | 35.8 | -29.8 | 0 | 0 | 0 | 113.2 | ||||
| 378 | T | 50 | Low | 42.2 | Very low | 138 Ų | 138 | 129 Ų | 129 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -139.6 | 150.2 | 165.2 | 47 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 379 | P | 37.6 | Very low | 41.9 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 155.4 | -169.4 | 35.1 | -35.8 | 0 | 0 | 0 | 114.7 | ||||
| 380 | A | 44.1 | Very low | 41.8 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -68.2 | 172.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 381 | P | 47.1 | Very low | 42 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | -158 | 165.3 | 92.1 | 41.7 | -23 | 0 | 0 | 0 | 119 | |||||
| 382 | F | 42.3 | Very low | 41.9 | Very low | 191 Ų | 191 | 127 Ų | 127 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 70.8 | 156.7 | 163.3 | -42.7 | -51.9 | 0 | 0 | 0 | 116.6 | ||||
| 383 | V | 40 | Very low | 41.8 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | cis | -141.9 | 165.3 | 21 | -149.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 384 | H | 41.5 | Very low | 42.5 | Very low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -118.1 | -172.4 | -178 | -107 | -48.2 | 0 | 0 | 0 | 111.3 | ||||
| 385 | P | 53.2 | Low | 42.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | cis | -115.7 | -128.3 | 2.7 | 21.7 | 5.8 | 0 | 0 | 0 | 112 | ||||
| 386 | T | 38.5 | Very low | 42.5 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -165.4 | 168.5 | 2.9 | -165.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | F | 43.7 | Very low | 42.3 | Very low | 198 Ų | 198 | 126.5 Ų | 126.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 63.5 | 110.5 | 163.6 | -137.2 | -89.5 | 0 | 0 | 0 | 118.8 | ||||
| 388 | G | 46.8 | Very low | 42.2 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | cis | 120.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 389 | G | 39.3 | Very low | 41.5 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | cis | -130.5 | -117.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 390 | F | 41.1 | Very low | 41.6 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | cis | -168.5 | 137.6 | -2.5 | -171 | -91.2 | 0 | 0 | 0 | 112.4 | ||||
| 391 | A | 41.9 | Very low | 41.2 | Very low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | 60.6 | 134.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 392 | A | 37.1 | Very low | 40.5 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | cis | 92.3 | 142.5 | 27.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 393 | A | 37.8 | Very low | 40.3 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | cis | -165.4 | 172.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 394 | P | 47.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -115.6 | 175.9 | -164.2 | 42.9 | -35.3 | 0 | 0 | 0 | 117.9 | ||||
| 395 | Y | 38.4 | Very low | 39.8 | Very low | 236 Ų | 236 | 121.3 Ų | 121.3 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -155.3 | 163 | 167.2 | -111.8 | -98.6 | 0 | 0 | 0 | 109.5 | ||||
| 396 | G | 36.1 | Very low | 39.1 | Very low | 60 Ų | 60 | 119.2 Ų | 119.2 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | cis | 148.5 | 144.9 | -12 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 397 | A | 40.7 | Very low | 39.1 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 72.3 | 157.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 398 | M | 40.7 | Very low | 38.8 | Very low | 187 Ų | 187 | 120.3 Ų | 120.3 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | cis | -168.7 | 152.6 | -14.3 | -106.6 | -80.6 | -170.2 | 0 | 0 | 111.7 | ||||
| 399 | G | 36.8 | Very low | 38.5 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 81.4 | 130.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 400 | A | 38.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | cis | 95.4 | 110.6 | 27.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 401 | G | 36.9 | Very low | 39 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -179.3 | 129.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 402 | L | 32.2 | Very low | 39 | Very low | 185 Ų | 185 | 125 Ų | 125 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -123.9 | 132.1 | -170.3 | -176.9 | 78.6 | 0 | 0 | 0 | 110.7 | ||||
| 403 | G | 37.5 | Very low | 39.4 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -178.2 | 89.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 404 | I | 36.2 | Very low | 39.7 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | 59.2 | 93.3 | 140.5 | -46.9 | 177.5 | 0 | 0 | 0 | 119.7 | ||||
| 405 | A | 36 | Very low | 39.3 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | 40.3 | 120.1 | 129.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 406 | G | 36.8 | Very low | 39.6 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -179.2 | 127.2 | 156 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 407 | S | 39.2 | Very low | 40.4 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 58.1 | 136.3 | 168.9 | 38.4 | 0 | 0 | 0 | 0 | 119.6 | S409 | S407-S409 PolarHBondContact O-N 3.13Š| ||
| 408 | F | 37.1 | Very low | 41.1 | Very low | 223 Ų | 223 | 131 Ų | 131 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | -79.1 | 112.4 | 171.3 | -75.6 | -104.2 | 0 | 0 | 0 | 110.8 | ||||
| 409 | S | 41.9 | Very low | 41.9 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -144.9 | 121.3 | 161.5 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | S407 P411 | S407-S409 PolarHBondContact O-N 3.13Å; S409-P411 WeakPolarHBondContact O-CD 3.16Å | ||
| 410 | Q | 44.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -78.9 | 117.6 | 171.5 | -74.7 | -72 | -10 | 0 | 0 | 108.7 | M412 | Q410-M412 PolarHBondContact O-N 2.97Š| ||
| 411 | P | 44.9 | Very low | 44.4 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 114.9 | 167.9 | 29.7 | -31.1 | 0 | 0 | 0 | 108.7 | S409 I413 | S409-P411 WeakPolarHBondContact O-CD 3.16Å; P411-I413 VanDerWaalsContact C-N 3.32Å; P411-I413 HydrophobicContact CB-CG1 4.36Å; P411-I413 PolarHBondContact O-N 2.86Å | ||
| 412 | M | 42.7 | Very low | 45.9 | Very low | 152 Ų | 152 | 128 Ų | 128 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 89.4 | 169.3 | -73.8 | -90.3 | -92 | 0 | 0 | 108.8 | Q410 Y414 | Q410-M412 PolarHBondContact O-N 2.97Å; M412-Y414 VanDerWaalsContact C-N 3.33Å; M412-Y414 HydrophobicContact CB-CD2 4.28Å; M412-Y414 HydrophobicContact CE-CE2 3.77Å; M412-Y414 PolarHBondContact O-N 2.78Å; M412-Y414 HydrophobicContact SD-CE2 4.23Å | ||
| 413 | I | 46.2 | Very low | 47.8 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 86.1 | 176.5 | -57.9 | 179.3 | 0 | 0 | 0 | 108.8 | P411 | P411-I413 VanDerWaalsContact C-N 3.32Å; P411-I413 HydrophobicContact CB-CG1 4.36Å; P411-I413 PolarHBondContact O-N 2.86Å | ||
| 414 | Y | 42.5 | Very low | 49.5 | Very low | 201 Ų | 201 | 125.4 Ų | 125.4 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -87.5 | 124.5 | 160.9 | -83.8 | -106 | 0 | 0 | 0 | 108.9 | M412 | M412-Y414 VanDerWaalsContact C-N 3.33Å; M412-Y414 HydrophobicContact CB-CD2 4.28Å; M412-Y414 HydrophobicContact CE-CE2 3.77Å; M412-Y414 PolarHBondContact O-N 2.78Å; M412-Y414 HydrophobicContact SD-CE2 4.23Å | ||
| 415 | G | 41 | Very low | 51.5 | Low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 155 | 148.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G417 | G415-G417 PolarHBondContact O-N 2.91Š|
| 416 | R | 44.7 | Very low | 53.6 | Low | 248 Ų | 248 | 118.2 Ų | 118.2 | 94% | 0.936 | 68% | 0.676 | S | S | * | * | trans | -60.6 | 118.4 | 169.4 | -79.1 | -168.3 | -178.2 | -141 | 10.7 | 109 | ||||
| 417 | G | 51.8 | Low | 56 | Low | 63 Ų | 63 | 119 Ų | 119 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | trans | -157.4 | 147.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G415 M419 | G415-G417 PolarHBondContact O-N 2.91Å; G417-M419 PolarHBondContact O-N 2.87Å | ||
| 418 | A | 56.5 | Low | 58.1 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 88% | 0.884 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 419 | M | 57.1 | Low | 60.5 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 132.8 | -174 | -66.7 | -136.9 | -65.2 | 0 | 0 | 111.7 | G417 T421 M425 L439 | G417-M419 PolarHBondContact O-N 2.87Å; M419-T421 PolarHBondContact O-N 3.16Å; M419-M425 HydrophobicContact CE-CG 4.1Å; M419-L439 HydrophobicContact CE-CD1 4.24Å; M419-L439 HydrophobicContact SD-CD1 3.82Å; M419-L439 HydrophobicContact SD-CD2 4.5Å |
| 420 | P | 61.4 | Low | 62.6 | Low | 75 Ų | 75 | 111.9 Ų | 111.9 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 130.2 | 178.2 | -25.2 | 34.7 | 0 | 0 | 0 | 112.6 | G422 M423 | P420-G422 PolarHBondContact O-N 3.16Å; P420-G422 VanDerWaalsContact O-N 3.17Å; P420-M423 HydrophobicContact CB-CE 4.06Å; P420-M423 HydrophobicContact CB-CG 4.4Å; P420-M423 HydrophobicContact CB-SD 4.1Å; P420-M423 HydrophobicContact CG-CE 4.19Å; P420-M423 HydrophobicContact CG-SD 4.07Å; P420-M423 PolarHBondContact O-N 2.85Å |
| 421 | T | 64.6 | Low | 64.2 | Low | 153 Ų | 153 | 110.2 Ų | 110.2 | 94% | 0.939 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 119 | -174.9 | -42.5 | 0 | 0 | 0 | 0 | 112 | M419 | M419-T421 PolarHBondContact O-N 3.16Š|
| 422 | G | 69.3 | Low | 66.2 | Low | 51 Ų | 51 | 110.1 Ų | 110.1 | 53% | 0.526 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 101.7 | -3.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P420 P442 | P420-G422 PolarHBondContact O-N 3.16Å; P420-G422 VanDerWaalsContact O-N 3.17Å; G422-P442 WeakPolarHBondContact O-CB 3.4Å; G422-P442 WeakPolarHBondContact O-CD 3.43Å; G422-P442 WeakPolarHBondContact O-CG 3.37Å |
| 423 | M | 71.6 | Confident | 68.1 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 31% | 0.305 | 61% | 0.609 | S | S | . | * | trans | -81.3 | 136.1 | 166.3 | -62 | -173.1 | -179.2 | 0 | 0 | 110.6 | P420 L439 Q440 | P420-M423 HydrophobicContact CB-CE 4.06Å; P420-M423 HydrophobicContact CB-CG 4.4Å; P420-M423 HydrophobicContact CB-SD 4.1Å; P420-M423 HydrophobicContact CG-CE 4.19Å; P420-M423 HydrophobicContact CG-SD 4.07Å; P420-M423 PolarHBondContact O-N 2.85Å; M423-L439 HydrophobicContact CB-CD1 3.62Å; M423-L439 HydrophobicContact CB-CD2 4.3Å; M423-L439 HydrophobicContact CB-CG 3.85Å; M423-L439 HydrophobicContact SD-CD2 3.68Å; M423-L439 HydrophobicContact SD-CG 4.02Å; M423-Q440 WeakPolarHBondContact CA-O 3.47Å | ||
| 424 | Q | 72.9 | Confident | 70.1 | Confident | 137 Ų | 137 | 106.8 Ų | 106.8 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.1 | -179 | -177.8 | 172.8 | -10.7 | 0 | 0 | 111 | Q440 | Q424-Q440 PolarHBondContact N-O 3.42Å; Q424-Q440 PolarHBondContact O-N 3.01Å |
| 425 | M | 79.7 | Confident | 72.1 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 42% | 0.419 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.2 | 171 | -73.8 | -70.6 | -102.7 | 0 | 0 | 110.2 | M419 Y437 L439 | M419-M425 HydrophobicContact CE-CG 4.1Å; M425-Y437 HydrophobicContact CB-CD1 4.45Å; M425-L439 HydrophobicContact CG-CD1 3.95Å; M425-L439 HydrophobicContact SD-CB 3.85Å; M425-L439 HydrophobicContact SD-CD1 3.84Å; M425-L439 HydrophobicContact SD-CG 4.45Å |
| 426 | V | 79.8 | Confident | 74.1 | Confident | 38 Ų | 38 | 99 Ų | 99 | 23% | 0.23 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.2 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | V438 Q440 | V426-V438 PolarHBondContact N-O 3.38Å; V426-V438 PolarHBondContact O-N 2.9Å; V426-Q440 HydrophobicContact CG2-CB 4.06Å |
| 427 | P | 86 | Confident | 76.1 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.5 | 175.9 | 28.7 | -33.9 | 0 | 0 | 0 | 111.3 | V435 Y437 | P427-V435 HydrophobicContact CB-CG1 3.55Å; P427-Y437 HydrophobicContact CB-CD1 4.22Å; P427-Y437 HydrophobicContact CB-CE1 3.93Å; P427-Y437 HydrophobicContact CG-CE1 4.48Å |
| 428 | M | 84.7 | Confident | 77.6 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 50% | 0.502 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136 | 177.1 | -176.5 | 176.6 | 70.7 | 0 | 0 | 109 | L430 G436 V438 | M428-L430 HydrophobicContact CE-CD1 4.4Å; M428-G436 PolarHBondContact N-O 2.91Å; M428-G436 PolarHBondContact O-N 2.82Å; M428-V438 HydrophobicContact CB-CG2 4.36Å; M428-V438 HydrophobicContact CE-CG2 3.77Å; M428-V438 HydrophobicContact SD-CG2 4.35Å |
| 429 | L | 86 | Confident | 78.7 | Confident | 126 Ų | 126 | 93 Ų | 93 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.7 | 176.4 | -160.6 | 74.2 | 0 | 0 | 0 | 109.7 | V435 | L429-V435 HydrophobicContact CD1-CG2 4.2Å |
| 430 | L | 86 | Confident | 79.4 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | trans | -79.7 | 162.3 | 176 | -87.4 | 68 | 0 | 0 | 0 | 111.1 | M428 D432 G433 R434 | M428-L430 HydrophobicContact CE-CD1 4.4Å; L430-D432 WeakPolarHBondContact CB-OD1 3.16Å; L430-D432 PolarHBondContact O-N 3.17Å; L430-D432 VanDerWaalsContact O-N 3.13Å; L430-G433 PolarHBondContact O-N 3.21Å; L430-R434 PolarHBondContact N-O 3.22Å | ||
| 431 | P | 79.5 | Confident | 79.7 | Confident | 145 Ų | 145 | 92.8 Ų | 92.8 | 94% | 0.942 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | 178.2 | -24.2 | 35.4 | 0 | 0 | 0 | 115.2 | G433 | P431-G433 VanDerWaalsContact C-N 3.34Š|
| 432 | D | 86.6 | Confident | 79.6 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.9 | 174.7 | 67.5 | -9 | 0 | 0 | 0 | 113.4 | L430 R434 | L430-D432 WeakPolarHBondContact CB-OD1 3.16Å; L430-D432 PolarHBondContact O-N 3.17Å; L430-D432 VanDerWaalsContact O-N 3.13Å; D432-R434 WeakPolarHBondContact OD1-CB 3.41Å; D432-R434 PolarHBondContact OD1-N 3.17Å; D432-R434 WeakPolarHBondContact OD2-CD 3.35Å; D432-R434 WeakPolarHBondContact OD2-CG 3.19Å; D432-R434 IonicContact OD2-CZ 3.96Å; D432-R434 IonicContact OD2-NE 3.47Å; D432-R434 PolarHBondContact OD2-NE 3.31Å |
| 433 | G | 82.9 | Confident | 79.4 | Confident | 50 Ų | 50 | 91.2 Ų | 91.2 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 84.4 | -0.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | L430 P431 | L430-G433 PolarHBondContact O-N 3.21Å; P431-G433 VanDerWaalsContact C-N 3.34Å |
| 434 | R | 86.9 | Confident | 78.8 | Confident | 183 Ų | 183 | 94.3 Ų | 94.3 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | trans | -76.5 | 154.8 | 175 | -61.8 | -177.1 | -175.6 | 170.8 | -2.3 | 111.1 | L430 D432 | L430-R434 PolarHBondContact N-O 3.22Å; D432-R434 WeakPolarHBondContact OD1-CB 3.41Å; D432-R434 PolarHBondContact OD1-N 3.17Å; D432-R434 WeakPolarHBondContact OD2-CD 3.35Å; D432-R434 WeakPolarHBondContact OD2-CG 3.19Å; D432-R434 IonicContact OD2-CZ 3.96Å; D432-R434 IonicContact OD2-NE 3.47Å; D432-R434 PolarHBondContact OD2-NE 3.31Å | ||
| 435 | V | 84.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 93.5 Ų | 93.5 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.4 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | P427 L429 Y437 | P427-V435 HydrophobicContact CB-CG1 3.55Å; L429-V435 HydrophobicContact CD1-CG2 4.2Å; V435-Y437 HydrophobicContact CG1-CE2 4.13Å |
| 436 | G | 83.2 | Confident | 76.7 | Confident | 21 Ų | 21 | 95.9 Ų | 95.9 | 22% | 0.216 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 150.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | M428 | M428-G436 PolarHBondContact N-O 2.91Å; M428-G436 PolarHBondContact O-N 2.82Å |
| 437 | Y | 86.2 | Confident | 75.5 | Confident | 150 Ų | 150 | 98.8 Ų | 98.8 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.5 | 177 | -68.3 | -97.6 | 0 | 0 | 0 | 110 | M425 P427 V435 | M425-Y437 HydrophobicContact CB-CD1 4.45Å; P427-Y437 HydrophobicContact CB-CD1 4.22Å; P427-Y437 HydrophobicContact CB-CE1 3.93Å; P427-Y437 HydrophobicContact CG-CE1 4.48Å; V435-Y437 HydrophobicContact CG1-CE2 4.13Å |
| 438 | V | 83.4 | Confident | 73.7 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.8 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V426 M428 Q440 | V426-V438 PolarHBondContact N-O 3.38Å; V426-V438 PolarHBondContact O-N 2.9Å; M428-V438 HydrophobicContact CB-CG2 4.36Å; M428-V438 HydrophobicContact CE-CG2 3.77Å; M428-V438 HydrophobicContact SD-CG2 4.35Å; V438-Q440 PolarHBondContact O-N 2.84Å |
| 439 | L | 80.1 | Confident | 72 | Confident | 69 Ų | 69 | 98.5 Ų | 98.5 | 36% | 0.361 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 105 | -179.5 | -168.6 | 63.7 | 0 | 0 | 0 | 110.3 | M419 M423 M425 | M419-L439 HydrophobicContact CE-CD1 4.24Å; M419-L439 HydrophobicContact SD-CD1 3.82Å; M419-L439 HydrophobicContact SD-CD2 4.5Å; M423-L439 HydrophobicContact CB-CD1 3.62Å; M423-L439 HydrophobicContact CB-CD2 4.3Å; M423-L439 HydrophobicContact CB-CG 3.85Å; M423-L439 HydrophobicContact SD-CD2 3.68Å; M423-L439 HydrophobicContact SD-CG 4.02Å; M425-L439 HydrophobicContact CG-CD1 3.95Å; M425-L439 HydrophobicContact SD-CB 3.85Å; M425-L439 HydrophobicContact SD-CD1 3.84Å; M425-L439 HydrophobicContact SD-CG 4.45Å |
| 440 | Q | 71.6 | Confident | 70.4 | Confident | 58 Ų | 58 | 98 Ų | 98 | 27% | 0.271 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 132 | -178.5 | -168.4 | 173.5 | 30.2 | 0 | 0 | 111.2 | M423 Q424 V426 V438 M446 | M423-Q440 WeakPolarHBondContact CA-O 3.47Å; Q424-Q440 PolarHBondContact N-O 3.42Å; Q424-Q440 PolarHBondContact O-N 3.01Å; V426-Q440 HydrophobicContact CG2-CB 4.06Å; V438-Q440 PolarHBondContact O-N 2.84Å; Q440-M446 PolarHBondContact NE2-SD 3.46Å; Q440-M446 VanDerWaalsContact NE2-SD 3.41Å |
| 441 | Q | 67.9 | Low | 68.6 | Low | 122 Ų | 122 | 100.5 Ų | 100.5 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 137.2 | 172.7 | -66.3 | -171.4 | 2.8 | 0 | 0 | 111.1 | G443 M444 | Q441-G443 PolarHBondContact O-N 3.41Å; Q441-M444 HydrophobicContact CB-SD 4.46Å |
| 442 | P | 62.6 | Low | 67.1 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 60% | 0.597 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 131.3 | 178 | 26.3 | -33 | 0 | 0 | 0 | 111.1 | G422 | G422-P442 WeakPolarHBondContact O-CB 3.4Å; G422-P442 WeakPolarHBondContact O-CD 3.43Å; G422-P442 WeakPolarHBondContact O-CG 3.37Å |
| 443 | G | 64.4 | Low | 65.2 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 83% | 0.825 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.6 | -8.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q441 P445 | Q441-G443 PolarHBondContact O-N 3.41Å; G443-P445 WeakPolarHBondContact O-CD 3.42Å |
| 444 | M | 58.8 | Low | 63.4 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | trans | -79.9 | 116.8 | 168.7 | -64.7 | -176 | 75.4 | 0 | 0 | 109.8 | Q441 M446 | Q441-M444 HydrophobicContact CB-SD 4.46Å; M444-M446 PolarHBondContact O-N 3.03Å | ||
| 445 | P | 58.9 | Low | 61.3 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -65.6 | 136.1 | 177.2 | 27.5 | -33.8 | 0 | 0 | 0 | 110.1 | G443 A447 | G443-P445 WeakPolarHBondContact O-CD 3.42Å; P445-A447 PolarHBondContact O-N 3.06Å | ||
| 446 | M | 50.7 | Low | 59.2 | Low | 135 Ų | 135 | 123.8 Ų | 123.8 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | trans | -54.8 | 115.5 | 174.1 | -72.8 | -73.7 | -87.5 | 0 | 0 | 109.7 | Q440 M444 A448 | Q440-M446 PolarHBondContact NE2-SD 3.46Å; Q440-M446 VanDerWaalsContact NE2-SD 3.41Å; M444-M446 PolarHBondContact O-N 3.03Å; M446-A448 PolarHBondContact O-N 3.17Å | ||
| 447 | A | 54.7 | Low | 57.1 | Low | 99 Ų | 99 | 130.2 Ų | 130.2 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -61.3 | 107.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | P445 A449 | P445-A447 PolarHBondContact O-N 3.06Å; A447-A449 PolarHBondContact O-N 2.96Å | ||
| 448 | A | 47.6 | Very low | 55 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55 | 124.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M446 | M446-A448 PolarHBondContact O-N 3.17Š|
| 449 | A | 50.4 | Low | 52.9 | Low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 133.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A447 P451 | A447-A449 PolarHBondContact O-N 2.96Å; A449-P451 VanDerWaalsContact O-N 3.17Å |
| 450 | P | 51.3 | Low | 51 | Low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.6 | -173 | 22.2 | -33.2 | 0 | 0 | 0 | 109 | Q452 | P450-Q452 PolarHBondContact O-N 3.1Å; P450-Q452 VanDerWaalsContact O-N 3.1Å |
| 451 | P | 49.2 | Very low | 49.5 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.4 | -165.5 | 20.5 | -32.8 | 0 | 0 | 0 | 109.7 | A449 R453 | A449-P451 VanDerWaalsContact O-N 3.17Å; P451-R453 PolarHBondContact O-N 3.05Å; P451-R453 VanDerWaalsContact O-N 3.11Å |
| 452 | Q | 47.8 | Very low | 48.2 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.1 | -179.9 | -72.3 | -157.9 | -2.1 | 0 | 0 | 108.8 | P450 P454 | P450-Q452 PolarHBondContact O-N 3.1Å; P450-Q452 VanDerWaalsContact O-N 3.1Å; Q452-P454 WeakPolarHBondContact O-CD 3.48Å; Q452-P454 VanDerWaalsContact O-N 3.16Å |
| 453 | R | 45.9 | Very low | 47.2 | Very low | 235 Ų | 235 | 142.9 Ų | 142.9 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 123.9 | -173 | -71 | -175.9 | 175 | -165.6 | -0.7 | 109.2 | P451 R455 | P451-R453 PolarHBondContact O-N 3.05Å; P451-R453 VanDerWaalsContact O-N 3.11Å; R453-R455 PolarHBondContact O-N 3.2Å; R453-R455 VanDerWaalsContact O-N 3.16Å |
| 454 | P | 45.2 | Very low | 46.2 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.6 | 174 | -26.1 | 34.2 | 0 | 0 | 0 | 109.4 | Q452 R456 | Q452-P454 WeakPolarHBondContact O-CD 3.48Å; Q452-P454 VanDerWaalsContact O-N 3.16Å; P454-R456 PolarHBondContact O-N 3.11Å |
| 455 | R | 43.4 | Very low | 45.3 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 127.1 | 169 | -80.2 | -174.4 | 172.4 | 172.4 | -1.2 | 107.2 | R453 N457 | R453-R455 PolarHBondContact O-N 3.2Å; R453-R455 VanDerWaalsContact O-N 3.16Å; R455-N457 VanDerWaalsContact C-N 3.32Å; R455-N457 PolarHBondContact O-N 3.16Å |
| 456 | R | 39.2 | Very low | 44.4 | Very low | 252 Ų | 252 | 140.2 Ų | 140.2 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -62.7 | 86.4 | -168.4 | -177.9 | -172 | 175.3 | -174.5 | -0.7 | 111.3 | P454 | P454-R456 PolarHBondContact O-N 3.11Š| ||
| 457 | N | 40.4 | Very low | 44 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -109.3 | 98.4 | 172.3 | -155.5 | 40.7 | 0 | 0 | 0 | 107.7 | R455 | R455-N457 VanDerWaalsContact C-N 3.32Å; R455-N457 PolarHBondContact O-N 3.16Å | ||
| 458 | D | 41.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | trans | -160.5 | 139.4 | 160.9 | -139.7 | -14.8 | 0 | 0 | 0 | 113.1 | ||||
| 459 | R | 40 | Very low | 43.2 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 52.6 | 101.1 | 164 | -65.2 | 154.3 | -133.3 | -158 | 6.5 | 118.6 | ||||
| 460 | N | 39.3 | Very low | 42.8 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -153.3 | 108.6 | 103.5 | -150.4 | 4.2 | 0 | 0 | 0 | 112.9 | |||||
| 461 | N | 40 | Very low | 42.5 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -157.3 | 120.1 | 163.7 | -179.5 | 21.7 | 0 | 0 | 0 | 108.3 | ||||
| 462 | G | 39.9 | Very low | 42.3 | Very low | 55 Ų | 55 | 146.7 Ų | 146.7 | 57% | 0.567 | 80% | 0.797 | S | S | * | * | trans | 145.5 | 115.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 463 | S | 42 | Very low | 42.3 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 59.7 | 100 | 151.2 | -58.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 464 | S | 44.4 | Very low | 42.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | 49.2 | 129.3 | 122.7 | 65.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 465 | G | 38.5 | Very low | 42.3 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 129.8 | 66.1 | 137 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 466 | G | 39.9 | Very low | 42.5 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 54.8 | 143.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 467 | S | 44.1 | Very low | 42.7 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 94% | 0.937 | 77% | 0.77 | S | S | * | * | trans | 84 | 149 | 157 | 79.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 468 | G | 40.5 | Very low | 42.8 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 85.5 | 125.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 469 | R | 43.3 | Very low | 43.1 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | cis | 58.1 | 128.8 | 9.6 | -77.5 | -175.1 | -179.5 | 174.4 | -0.4 | 114.7 | ||||
| 470 | D | 43.9 | Very low | 43.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | cis | -163.7 | 171.8 | -4.3 | -153.4 | -8.2 | 0 | 0 | 0 | 110.7 | ||||
| 471 | N | 43.3 | Very low | 44 | Very low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | trans | 59.4 | 119.9 | 153.2 | -74.3 | -50.9 | 0 | 0 | 0 | 123.8 | ||||
| 472 | S | 46 | Very low | 44.5 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | 86.9 | 147.2 | 118.2 | 75 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 473 | H | 46.6 | Very low | 45.1 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 62.8 | 158.4 | 157.8 | -63.1 | -41 | 0 | 0 | 0 | 119.7 | ||||
| 474 | E | 44.7 | Very low | 45.3 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | -172 | -179.4 | -43.9 | -138 | 163.8 | 100.8 | 0 | 0 | 108.7 | ||||
| 475 | H | 47.7 | Very low | 45.7 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 82.8 | 156.5 | 155.1 | -141.5 | 9.7 | 0 | 0 | 0 | 120.3 | ||||
| 476 | D | 46.5 | Very low | 46.8 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 169.9 | -157.5 | -66.4 | -109.8 | 0 | 0 | 0 | 117.6 | ||||
| 477 | G | 43.2 | Very low | 47.6 | Very low | 74 Ų | 74 | 160.2 Ų | 160.2 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -164.6 | 36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | R479 | G477-R479 PolarHBondContact O-N 2.77Š| ||
| 478 | N | 42.9 | Very low | 47.7 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -60 | 105.7 | -175.8 | 176.5 | 21.3 | 0 | 0 | 0 | 115.2 | ||||
| 479 | R | 47.4 | Very low | 48.1 | Very low | 238 Ų | 238 | 166.4 Ų | 166.4 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -146.3 | 132.4 | 152.2 | -65.3 | -176.6 | 176.8 | 170.1 | -1 | 106.2 | G477 | G477-R479 PolarHBondContact O-N 2.77Š| ||
| 480 | G | 47.4 | Very low | 48.4 | Very low | 76 Ų | 76 | 162.2 Ų | 162.2 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 94.6 | 116.7 | 32.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 481 | G | 51 | Low | 48.7 | Very low | 65 Ų | 65 | 164.5 Ų | 164.5 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 162.8 | 179.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 482 | R | 52.3 | Low | 49 | Very low | 248 Ų | 248 | 167.1 Ų | 167.1 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | 68.2 | 157.9 | -178.2 | -52.4 | 178.9 | -170.7 | -113.6 | -0.3 | 113.8 | ||||
| 483 | R | 51.9 | Low | 49.2 | Very low | 228 Ų | 228 | 172.2 Ų | 172.2 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | cis | -175.7 | 160.2 | -38.6 | -120.5 | -173.8 | -178.2 | -167.7 | 1.5 | 105.5 | ||||
| 484 | Y | 46.5 | Very low | 49.4 | Very low | 215 Ų | 215 | 172.9 Ų | 172.9 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | 70.1 | 128.4 | 174.7 | -114 | -110 | 0 | 0 | 0 | 114.8 | ||||
| 485 | R | 52.8 | Low | 49.7 | Very low | 221 Ų | 221 | 173.6 Ų | 173.6 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | cis | 81.1 | 143.3 | 39.1 | -81.7 | -155.5 | 163.2 | -157.8 | -3.9 | 115 | ||||
| 486 | P | 60.4 | Low | 49.9 | Very low | 107 Ų | 107 | 173.6 Ų | 173.6 | 70% | 0.695 | 84% | 0.843 | S | S | * | * | trans | -112.2 | 177.1 | -136 | 42.7 | -36.8 | 0 | 0 | 0 | 114.8 | ||||
| 487 | Y | 56.5 | Low | 50.2 | Low | 307 Ų | 307 | 176.1 Ų | 176.1 | 100% | 1.204 | 85% | 0.848 | S | S | * | * | trans | -109.8 | 0 | 140.9 | -79.9 | -89.7 | 0 | 0 | 0 | 108 |
Retrieved 487 of 487 residues in 917.9 ms
(Link to these results)