| 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 | 35.1 | Very low | 35.6 | Very low | 222 Ų | 222 | 151.7 Ų | 151.7 | 100% | 1.094 | 84% | 0.836 | S | S | * | * | 0 | 112.2 | 0 | -168 | 167.3 | -178.4 | 0 | 0 | 106.1 | |||||
| 2 | Q | 36.8 | Very low | 35.4 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | 66.4 | 123 | 177 | -62 | 158.9 | 1.8 | 0 | 0 | 115.3 | ||||
| 3 | H | 36.5 | Very low | 35.2 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 69% | 0.69 | 83% | 0.826 | S | S | * | * | 71.7 | 138 | 59 | -71.1 | -58.2 | 0 | 0 | 0 | 112.7 | |||||
| 4 | Y | 35.8 | Very low | 35.7 | Very low | 206 Ų | 206 | 154 Ų | 154 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | cis | -154.5 | 177.1 | -6.4 | -100.3 | -62 | 0 | 0 | 0 | 106.6 | ||||
| 5 | G | 33.5 | Very low | 36.2 | Very low | 64 Ų | 64 | 151.3 Ų | 151.3 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | cis | -128.6 | -154.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 6 | S | 36.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | cis | 88.1 | 102 | 9.1 | -51.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 7 | D | 37.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -151.3 | 153.7 | 154.4 | -107.1 | -32.7 | 0 | 0 | 0 | 110.9 | ||||
| 8 | E | 35.1 | Very low | 35.9 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -95.4 | 174 | -158 | -68.1 | -173.6 | 106.8 | 0 | 0 | 116.7 | ||||
| 9 | A | 35.7 | Very low | 35.7 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -72.4 | 153.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 10 | S | 35.5 | Very low | 35.5 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -125.3 | 122.2 | 157.5 | 64.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | N | 33.1 | Very low | 35.3 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -81.1 | 128.9 | -178.6 | -159.1 | 13.8 | 0 | 0 | 0 | 109.2 | ||||
| 12 | G | 33.3 | Very low | 35.1 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -121.7 | 87.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | E | 33.7 | Very low | 35.1 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 134.5 | 179.7 | -63.9 | 177.3 | 112.2 | 0 | 0 | 111.9 | ||
| 14 | R | 41.9 | Very low | 35.1 | Very low | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 126.7 | 169.3 | -70.9 | -175.4 | -179.2 | -179.2 | 1 | 109.7 | ||
| 15 | P | 43.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 150.5 | 173.4 | 31.4 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 16 | P | 37.4 | Very low | 35.2 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 132.5 | 178 | 31.7 | -33.4 | 0 | 0 | 0 | 111.4 | S18 | P16-S18 PolarHBondContact O-N 3.21Š|
| 17 | L | 34.9 | Very low | 35.1 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -88.1 | 103.2 | 170.8 | -72.6 | 175.2 | 0 | 0 | 0 | 110.4 | ||||
| 18 | S | 30.8 | Very low | 35.1 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -85.8 | 118.4 | 169.1 | 56.3 | 0 | 0 | 0 | 0 | 111 | P16 | P16-S18 PolarHBondContact O-N 3.21Š| ||
| 19 | F | 32.8 | Very low | 35.1 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 98.3 | 162.3 | -84 | -74.9 | 0 | 0 | 0 | 111 | ||||
| 20 | N | 30.4 | Very low | 34.9 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -71.8 | 124.2 | 153.9 | -87.8 | -15.4 | 0 | 0 | 0 | 107.9 | ||||
| 21 | N | 31.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -151.9 | 122.3 | 139.1 | -141.6 | -2.5 | 0 | 0 | 0 | 112.5 | ||||
| 22 | S | 31.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -91.7 | 128.5 | 176 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | S | 37 | Very low | 34.7 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -167.8 | 150.6 | 145.2 | -86.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | P | 36.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -93.2 | 160.5 | -165.8 | 36.8 | -36.2 | 0 | 0 | 0 | 114.3 | ||||
| 25 | L | 31.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -115.7 | 158.6 | 168.9 | -77.8 | 175.5 | 0 | 0 | 0 | 111.2 | ||||
| 26 | P | 38.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 161.3 | -133.9 | 34.3 | -38.2 | 0 | 0 | 0 | 116.7 | ||
| 27 | V | 35.2 | Very low | 33.1 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 125.9 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 28 | A | 36.4 | Very low | 32.8 | Very low | 83 Ų | 83 | 152 Ų | 152 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 145.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 29 | P | 35.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 159.1 Ų | 159.1 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 147 | -166.9 | 30.7 | -36.2 | 0 | 0 | 0 | 114.8 | ||
| 30 | S | 31.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 161 Ų | 161 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -86.9 | 114.9 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 31 | R | 32.2 | Very low | 32.9 | Very low | 245 Ų | 245 | 157.8 Ų | 157.8 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -178.6 | 132 | 153.8 | -100.4 | 163.3 | -177.3 | -169.7 | 1 | 105.2 | ||||
| 32 | V | 32.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 157.7 Ų | 157.7 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | cis | -136.5 | 159.8 | 39.9 | 172.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | R | 33.2 | Very low | 33.2 | Very low | 205 Ų | 205 | 158.7 Ų | 158.7 | 77% | 0.774 | 83% | 0.831 | S | S | * | * | trans | -82.5 | 151.7 | -176 | -75.8 | 174.3 | 168.4 | 170.7 | -4.5 | 113.9 | ||||
| 34 | R | 29.6 | Very low | 33.3 | Very low | 206 Ų | 206 | 161.5 Ų | 161.5 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | trans | 49.9 | 109.6 | 140.7 | -65.5 | 173.5 | -178.8 | 178.7 | -2.8 | 117.9 | ||||
| 35 | F | 28.6 | Very low | 33 | Very low | 223 Ų | 223 | 161.6 Ų | 161.6 | 98% | 0.978 | 83% | 0.831 | S | S | * | * | -123.9 | 118 | 123.7 | -91.8 | -83.1 | 0 | 0 | 0 | 108.8 | |||||
| 36 | A | 31.1 | Very low | 33.2 | Very low | 81 Ų | 81 | 165 Ų | 165 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | trans | -102.4 | 139 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 37 | Q | 34.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 165.5 Ų | 165.5 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | 60.8 | 85.5 | 138.9 | -165.1 | 171.6 | 6.3 | 0 | 0 | 117.7 | ||||
| 38 | E | 29.1 | Very low | 32.6 | Very low | 180 Ų | 180 | 166.4 Ų | 166.4 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -143.1 | 86.4 | 146.7 | -128.4 | 178.2 | 175.2 | 0 | 0 | 110.8 | R40 | E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.21Å | ||
| 39 | R | 33 | Very low | 32.5 | Very low | 255 Ų | 255 | 167.4 Ų | 167.4 | 96% | 0.962 | 83% | 0.827 | S | S | * | * | trans | -74.4 | 86.9 | 167.9 | -79.4 | -171 | 175.9 | -167.3 | -1.1 | 108.6 | A41 | R39-A41 PolarHBondContact O-N 3.49Š| ||
| 40 | R | 30.3 | Very low | 32.2 | Very low | 228 Ų | 228 | 166.8 Ų | 166.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -71.1 | 112 | 167.2 | -119.3 | 177.5 | -178.1 | 176.4 | 1.2 | 108.7 | E38 L42 | E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.21Å; R40-L42 PolarHBondContact O-N 2.75Å | ||
| 41 | A | 32.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 169.9 Ų | 169.9 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 | R39-A41 PolarHBondContact O-N 3.49Š|
| 42 | L | 35.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 163.8 Ų | 163.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 132.2 | 167.2 | -73.9 | 162.8 | 0 | 0 | 0 | 108.4 | R40 Q44 | R40-L42 PolarHBondContact O-N 2.75Å; L42-Q44 PolarHBondContact O-N 2.71Å |
| 43 | P | 34.2 | Very low | 32 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.1 | 177.3 | 28.3 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 44 | Q | 37.2 | Very low | 32 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 143.8 | 173.9 | -70.2 | -179.6 | -13.5 | 0 | 0 | 110.9 | L42 R46 | L42-Q44 PolarHBondContact O-N 2.71Å; Q44-R46 PolarHBondContact O-N 3.08Å |
| 45 | P | 30.6 | Very low | 32 | Very low | 123 Ų | 123 | 154.3 Ų | 154.3 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.4 | 178 | 27.9 | -33.6 | 0 | 0 | 0 | 110.9 | V47 | P45-V47 PolarHBondContact O-N 3.2Š|
| 46 | R | 35.9 | Very low | 32.1 | Very low | 242 Ų | 242 | 152.9 Ų | 152.9 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 115.1 | 171.4 | -73.8 | -179.9 | 167.8 | -176.4 | -4.8 | 109.7 | Q44 M48 | Q44-R46 PolarHBondContact O-N 3.08Å; R46-M48 PolarHBondContact O-N 3.25Å | ||
| 47 | V | 33.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -70.1 | 111.8 | 168.7 | -180 | 0 | 0 | 0 | 0 | 108.7 | P45 | P45-V47 PolarHBondContact O-N 3.2Š| ||
| 48 | M | 29 | Very low | 32.1 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 80% | 0.803 | 82% | 0.819 | S | S | * | * | trans | -79.6 | 119.5 | 166 | -74.8 | -166.7 | -57.7 | 0 | 0 | 109.4 | R46 V50 | R46-M48 PolarHBondContact O-N 3.25Å; M48-V50 PolarHBondContact O-N 2.8Å | ||
| 49 | V | 32.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 156 Ų | 156 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -86.8 | 105.4 | 163.7 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | F51 | V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.22Å; V49-F51 HydrophobicContact CG1-CE1 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.71Å; V49-F51 HydrophobicContact CG1-CZ 3.83Å | ||
| 50 | V | 30.5 | Very low | 32.7 | Very low | 115 Ų | 115 | 150 Ų | 150 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | -84.9 | 114.2 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | M48 | M48-V50 PolarHBondContact O-N 2.8Š| ||
| 51 | F | 32.8 | Very low | 32.9 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 79% | 0.789 | 81% | 0.809 | S | S | * | * | trans | -86.2 | 112 | 168.5 | -70 | -83.1 | 0 | 0 | 0 | 109.3 | V49 A53 | V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.22Å; V49-F51 HydrophobicContact CG1-CE1 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.71Å; V49-F51 HydrophobicContact CG1-CZ 3.83Å; F51-A53 PolarHBondContact O-N 2.82Å | ||
| 52 | S | 30.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -70.4 | 110.9 | 168.3 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | A54 | S52-A54 PolarHBondContact O-N 3.12Š| ||
| 53 | A | 29.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F51 | F51-A53 PolarHBondContact O-N 2.82Š|
| 54 | A | 32.7 | Very low | 32.9 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 132.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S52 E56 | S52-A54 PolarHBondContact O-N 3.12Å; A54-E56 PolarHBondContact O-N 2.97Å |
| 55 | N | 29.4 | Very low | 32.6 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.3 | 166.3 | -80 | -11.7 | 0 | 0 | 0 | 109.1 | ||
| 56 | E | 31.5 | Very low | 32.7 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 152.1 | 157 | -71.7 | -160.5 | 142.2 | 0 | 0 | 110.5 | A54 | A54-E56 PolarHBondContact O-N 2.97Š|
| 57 | I | 33.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.9 | -164.1 | -68.9 | 166.3 | 0 | 0 | 0 | 109.7 | ||
| 58 | D | 31.2 | Very low | 32.4 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.4 | 174 | -81.1 | -45.9 | 0 | 0 | 0 | 112.9 | ||
| 59 | K | 35.6 | Very low | 32.6 | Very low | 195 Ų | 195 | 132 Ų | 132 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -113 | 133.7 | 159 | -82.3 | -176.9 | 175.7 | 176.4 | 0 | 109.1 | ||||
| 60 | P | 39.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 149.3 | 179.1 | 33.1 | -34.5 | 0 | 0 | 0 | 111.8 | ||||
| 61 | G | 33.1 | Very low | 32.9 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 132.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 62 | D | 33.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 163.8 | -161.8 | -61.6 | -76.6 | 0 | 0 | 0 | 116.2 | ||||
| 63 | A | 32.1 | Very low | 32.9 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 85.1 | 111 | 138 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 64 | M | 36.2 | Very low | 33 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | 88.8 | 110.8 | 120.2 | -69.9 | -63.6 | -161.5 | 0 | 0 | 122.5 | |||||
| 65 | S | 32.3 | Very low | 33 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | 100.8 | 135.3 | 115.6 | -166.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 66 | S | 31.9 | Very low | 33.2 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | 59.8 | 113.5 | 153.2 | 44.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 67 | S | 32.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | 88.4 | 119.7 | 59.6 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 68 | D | 29.8 | Very low | 33.5 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 101.8 | 132.9 | 134.9 | -136.5 | 50.3 | 0 | 0 | 0 | 122.3 | ||||
| 69 | S | 32.8 | Very low | 33.5 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 67 | 139.4 | 146.5 | -70.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 70 | A | 34 | Very low | 33.8 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -90.3 | -162.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 71 | E | 36.1 | Very low | 33.4 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 75.8 | 145.8 | 168.1 | -62.2 | -173.3 | 172.6 | 0 | 0 | 115.5 | ||||
| 72 | D | 31.2 | Very low | 34 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -163 | 170.3 | -18.8 | -171.8 | 21 | 0 | 0 | 0 | 109.2 | ||||
| 73 | D | 32.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | 85.2 | 132 | 139.7 | -132.2 | 17.9 | 0 | 0 | 0 | 125.5 | ||||
| 74 | F | 31.3 | Very low | 34.4 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | 56.1 | 112.8 | 142.9 | -108 | -126.7 | 0 | 0 | 0 | 124.3 | ||||
| 75 | R | 33 | Very low | 34.4 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | -178 | 133.8 | 93.8 | -96.6 | 169.1 | -175 | 175 | 3.2 | 115.8 | |||||
| 76 | K | 33 | Very low | 34.5 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -86.7 | 175.6 | 158.6 | -84.1 | 176.3 | -178 | 171.2 | 0 | 109.7 | ||||
| 77 | P | 41.7 | Very low | 34.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | cis | -125.9 | -161.6 | 18.2 | 40.5 | -19.5 | 0 | 0 | 0 | 112.9 | ||||
| 78 | A | 29.1 | Very low | 35.1 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -154 | -177.5 | 14.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 79 | T | 32.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | -115.5 | 174.6 | 172.6 | 19.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 80 | P | 41.4 | Very low | 35.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | cis | -138 | 174.7 | 23.6 | 41 | -21.1 | 0 | 0 | 0 | 118.3 | ||||
| 81 | A | 31.5 | Very low | 36 | Very low | 88 Ų | 88 | 148.6 Ų | 148.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -85.9 | -169.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | P | 44.4 | Very low | 35.8 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -135.6 | 176.8 | -3.6 | 41.7 | -25.2 | 0 | 0 | 0 | 115.1 | ||||
| 83 | N | 35.1 | Very low | 36.1 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -157.7 | 142.1 | 135.4 | -107.6 | -44.8 | 0 | 0 | 0 | 111.9 | ||||
| 84 | L | 38.6 | Very low | 36.5 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 143.9 | -176.6 | -73.1 | 129.5 | 0 | 0 | 0 | 111.7 | ||||
| 85 | N | 36.2 | Very low | 36.7 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | 164.3 | 107.3 | 129.4 | -82.5 | -30.7 | 0 | 0 | 0 | 108.9 | |||||
| 86 | L | 35 | Very low | 37 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | 88.1 | 101.8 | 76.7 | -177.2 | 65.2 | 0 | 0 | 0 | 112.5 | |||||
| 87 | G | 38.5 | Very low | 37.4 | Very low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | 81.9 | 91.8 | 146 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 88 | K | 38 | Very low | 37.7 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -154.7 | 127.7 | 132 | -107.7 | 149 | -170.4 | 175.3 | 0 | 111 | L90 | K88-L90 PolarHBondContact O-N 3.43Š| ||
| 89 | S | 36.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 110.1 | -178.9 | 178.8 | 0 | 0 | 0 | 0 | 110 | R91 | S89-R91 PolarHBondContact O-N 3.42Š| ||
| 90 | L | 38.3 | Very low | 40 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -78.5 | 102.7 | 156.5 | -73.5 | 172.2 | 0 | 0 | 0 | 106.9 | K88 T92 | K88-L90 PolarHBondContact O-N 3.43Å; L90-T92 PolarHBondContact O-N 2.81Å; L90-T92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | R | 40.9 | Very low | 41.4 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 109.1 | 162.7 | -75.4 | -178.5 | 172.2 | 176.6 | -3.5 | 106.9 | S89 T93 | S89-R91 PolarHBondContact O-N 3.42Å; R91-T93 PolarHBondContact O-N 2.99Å | ||
| 92 | T | 32.2 | Very low | 44 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -54.2 | 112.3 | 163.2 | 36.9 | 0 | 0 | 0 | 0 | 107.9 | L90 F94 | L90-T92 PolarHBondContact O-N 2.81Å; L90-T92 VanDerWaalsContact O-N 3.09Å; T92-F94 PolarHBondContact O-N 2.85Å | ||
| 93 | T | 37 | Very low | 46.1 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -59.6 | 103.5 | 163.2 | 44.6 | 0 | 0 | 0 | 0 | 106.6 | R91 N95 | R91-T93 PolarHBondContact O-N 2.99Å; T93-N95 PolarHBondContact O-N 3.27Å; T93-N95 VanDerWaalsContact O-N 3.14Å | ||
| 94 | F | 40.7 | Very low | 48.8 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -58.2 | 120.6 | 167.1 | -78.2 | -89.2 | 0 | 0 | 0 | 106.7 | T92 E96 | T92-F94 PolarHBondContact O-N 2.85Å; F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.33Å | ||
| 95 | N | 36.4 | Very low | 51.5 | Low | 164 Ų | 164 | 131.5 Ų | 131.5 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | trans | -72.3 | 93.4 | 179.8 | -148.4 | 34.4 | 0 | 0 | 0 | 106.3 | T93 S97 | T93-N95 PolarHBondContact O-N 3.27Å; T93-N95 VanDerWaalsContact O-N 3.14Å; N95-S97 PolarHBondContact O-N 2.79Å | ||
| 96 | E | 39.5 | Very low | 54.3 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | trans | -59.6 | 109.2 | 171.2 | -111.6 | 175.5 | 134.1 | 0 | 0 | 107.4 | F94 | F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.33Å | ||
| 97 | S | 41.6 | Very low | 57.2 | Low | 100 Ų | 100 | 119 Ų | 119 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -53.9 | 129.1 | 166.7 | 50.6 | 0 | 0 | 0 | 0 | 107.4 | N95 S99 | N95-S97 PolarHBondContact O-N 2.79Å; S97-S99 PolarHBondContact O-N 2.95Å | ||
| 98 | P | 47.3 | Very low | 60 | Low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 62% | 0.62 | S | S | * | * | trans | -60.4 | 106.7 | -179.5 | 24.9 | -33.2 | 0 | 0 | 0 | 108.3 | ||||
| 99 | S | 51.1 | Low | 62.8 | Low | 90 Ų | 90 | 106.6 Ų | 106.6 | 63% | 0.629 | 58% | 0.58 | S | S | * | * | trans | -53.5 | 135.9 | 164.4 | 56.4 | 0 | 0 | 0 | 0 | 107 | S97 E101 | S97-S99 PolarHBondContact O-N 2.95Å; S99-E101 PolarHBondContact O-N 3.07Å | ||
| 100 | P | 58.5 | Low | 65.6 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | trans | -60.7 | 101.6 | -177.2 | 24.4 | -33.3 | 0 | 0 | 0 | 109.1 | F102 G136 | P100-F102 WeakPolarHBondContact O-CD2 3.45Å; P100-F102 PolarHBondContact O-N 2.84Å; P100-F102 VanDerWaalsContact O-N 3.07Å; P100-G136 WeakPolarHBondContact CG-O 3.38Å | ||
| 101 | E | 72.1 | Confident | 68.3 | Low | 187 Ų | 187 | 95.9 Ų | 95.9 | 87% | 0.874 | 53% | 0.526 | S | S | * | . | trans | -74.3 | 104.4 | -173.3 | -165.4 | 169.3 | -147.9 | 0 | 0 | 108 | S99 | S99-E101 PolarHBondContact O-N 3.07Š| ||
| 102 | F | 85.3 | Confident | 70.8 | Confident | 30 Ų | 30 | 87.1 Ų | 87.1 | 13% | 0.132 | 51% | 0.507 | C | S | . | . | trans | -68.6 | 135.8 | 179 | -71.3 | -84.8 | 0 | 0 | 0 | 109.7 | P100 I106 L119 F134 I140 F148 | P100-F102 WeakPolarHBondContact O-CD2 3.45Å; P100-F102 PolarHBondContact O-N 2.84Å; P100-F102 VanDerWaalsContact O-N 3.07Å; F102-I106 HydrophobicContact CB-CD1 4.05Å; F102-I106 HydrophobicContact CD1-CD1 4.17Å; F102-L119 HydrophobicContact CB-CD1 3.81Å; F102-L119 HydrophobicContact CB-CD2 3.72Å; F102-L119 HydrophobicContact CB-CG 4.37Å; F102-L119 HydrophobicContact CG-CD1 4.18Å; F102-F134 AromaticContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CE1 4.28Å; F102-F134 AromaticContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CE1 4.07Å; F102-F134 WeakPolarHBondContact CE2-O 3.43Å; F102-F134 HydrophobicContact CG-CD1 4.44Å; F102-F134 HydrophobicContact CZ-CD1 4.18Å; F102-I140 HydrophobicContact CE1-CD1 4.29Å; F102-I140 HydrophobicContact CZ-CD1 4.48Å; F102-F148 HydrophobicContact CD1-CE1 4.3Å; F102-F148 HydrophobicContact CD1-CE2 4.26Å; F102-F148 AromaticContact CD1-CZ 3.64Å; F102-F148 HydrophobicContact CD1-CZ 3.64Å; F102-F148 AromaticContact CE1-CE1 3.82Å; F102-F148 HydrophobicContact CE1-CE1 3.82Å; F102-F148 AromaticContact CE1-CZ 3.64Å; F102-F148 HydrophobicContact CE1-CZ 3.64Å | ||
| 103 | P | 88.9 | Confident | 73.8 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | trans | -62.4 | 151.6 | 174.2 | 27 | -33.3 | 0 | 0 | 0 | 110.7 | V105 I106 | P103-V105 WeakPolarHBondContact CG-O 3.43Å; P103-V105 PolarHBondContact O-N 2.9Å; P103-I106 HydrophobicContact CG-CD1 4.04Å; P103-I106 VanDerWaalsContact O-CD1 3.31Å; P103-I106 WeakPolarHBondContact O-CD1 3.36Å | ||
| 104 | E | 91.9 | Very high | 76.6 | Confident | 134 Ų | 134 | 84.7 Ų | 84.7 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -56.5 | -37.7 | 179.1 | -171.1 | -169.5 | 164.7 | 0 | 0 | 111.8 | R118 L119 | E104-R118 CarbonylContact O-C 3.55Å; E104-R118 VanDerWaalsContact O-CA 3.28Å; E104-R118 WeakPolarHBondContact O-CA 3.38Å; E104-L119 PolarHBondContact O-N 2.86Å |
| 105 | V | 94.9 | Very high | 79.3 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 48% | 0.479 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.9 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | P103 T116 | P103-V105 WeakPolarHBondContact CG-O 3.43Å; P103-V105 PolarHBondContact O-N 2.9Å; V105-T116 HydrophobicContact CG1-CG2 3.43Å; V105-T116 VanDerWaalsContact CG1-CG2 3.43Å |
| 106 | I | 95.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.8 | -176.9 | -58.7 | -67.7 | 0 | 0 | 0 | 109.2 | F102 P103 L108 T116 T117 L119 L122 F134 F148 | F102-I106 HydrophobicContact CB-CD1 4.05Å; F102-I106 HydrophobicContact CD1-CD1 4.17Å; P103-I106 HydrophobicContact CG-CD1 4.04Å; P103-I106 VanDerWaalsContact O-CD1 3.31Å; P103-I106 WeakPolarHBondContact O-CD1 3.36Å; I106-L108 HydrophobicContact CG2-CD2 3.52Å; I106-L108 HydrophobicContact CG2-CG 4.03Å; I106-T116 WeakPolarHBondContact O-CA 3.4Å; I106-T117 PolarHBondContact N-O 2.88Å; I106-T117 PolarHBondContact O-N 3.47Å; I106-L119 HydrophobicContact CD1-CD1 4.35Å; I106-L119 HydrophobicContact CG1-CB 4.13Å; I106-L119 HydrophobicContact CG1-CD1 4.35Å; I106-L122 HydrophobicContact CB-CD1 4.1Å; I106-L122 HydrophobicContact CG1-CD1 4.24Å; I106-L122 HydrophobicContact CG2-CD1 3.88Å; I106-F134 HydrophobicContact CD1-CD1 4.4Å; I106-F134 HydrophobicContact CD1-CE1 4.41Å; I106-F134 HydrophobicContact CG2-CD1 4.47Å; I106-F134 HydrophobicContact CG2-CE1 3.72Å; I106-F134 HydrophobicContact CG2-CZ 4.07Å; I106-F148 HydrophobicContact CD1-CE2 4.03Å; I106-F148 HydrophobicContact CG2-CD2 3.78Å; I106-F148 HydrophobicContact CG2-CE2 4.14Å |
| 107 | S | 96.2 | Very high | 84.9 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.5 | 169.5 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | F148 | S107-F148 PolarHBondContact O-N 3.17Å |
| 108 | L | 96.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.4 | -176.7 | -55.5 | 173.2 | 0 | 0 | 0 | 110.2 | I106 V110 Y114 F115 T117 L122 F134 F148 F157 | I106-L108 HydrophobicContact CG2-CD2 3.52Å; I106-L108 HydrophobicContact CG2-CG 4.03Å; L108-V110 HydrophobicContact CB-CG2 4.28Å; L108-Y114 WeakPolarHBondContact O-CA 3.31Å; L108-F115 HydrophobicContact CB-CB 4.26Å; L108-F115 PolarHBondContact N-O 2.94Å; L108-F115 PolarHBondContact O-N 2.87Å; L108-T117 HydrophobicContact CD1-CG2 4.09Å; L108-L122 HydrophobicContact CD1-CD1 4.35Å; L108-L122 HydrophobicContact CD1-CD2 4.23Å; L108-L122 HydrophobicContact CD2-CD1 4.41Å; L108-F134 HydrophobicContact CD2-CE1 4.38Å; L108-F134 HydrophobicContact CD2-CE2 4.17Å; L108-F134 HydrophobicContact CD2-CZ 3.54Å; L108-F148 CarbonylContact C-O 3.58Å; L108-F148 WeakPolarHBondContact CA-O 3.41Å; L108-F148 HydrophobicContact CD2-CB 4.05Å; L108-F157 HydrophobicContact CD1-CE1 3.62Å; L108-F157 HydrophobicContact CD1-CZ 3.86Å |
| 109 | N | 96.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 107.4 | 167.6 | 176.5 | -8.4 | 0 | 0 | 0 | 107.5 | G112 Y114 D143 R147 F148 F149 I150 | N109-G112 WeakPolarHBondContact OD1-CA 3.29Å; N109-G112 PolarHBondContact OD1-N 2.83Å; N109-Y114 HydrophobicContact CB-CD1 4.03Å; N109-Y114 HydrophobicContact CB-CE1 4.14Å; N109-D143 WeakPolarHBondContact CB-OD2 3.41Å; N109-D143 PolarHBondContact ND2-OD2 2.83Å; N109-R147 HydrophobicContact CB-CB 4.35Å; N109-F148 PolarHBondContact N-O 2.92Å; N109-F149 HydrophobicContact CB-CD2 4.19Å; N109-F149 CarbonylContact O-C 3.58Å; N109-F149 WeakPolarHBondContact O-CA 3.19Å; N109-F149 WeakPolarHBondContact O-CD2 3.45Å; N109-I150 PolarHBondContact O-N 3.35Å |
| 110 | V | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 99.2 | -176.7 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | L108 G112 T113 F115 I150 R152 G154 F157 | L108-V110 HydrophobicContact CB-CG2 4.28Å; V110-G112 PolarHBondContact O-N 2.96Å; V110-T113 PolarHBondContact N-O 3.36Å; V110-T113 WeakPolarHBondContact O-CB 3.41Å; V110-T113 PolarHBondContact O-N 2.77Å; V110-F115 HydrophobicContact CB-CD2 4.3Å; V110-F115 HydrophobicContact CB-CE2 4.23Å; V110-F115 HydrophobicContact CG2-CD2 3.98Å; V110-F115 HydrophobicContact CG2-CE2 4.35Å; V110-I150 WeakPolarHBondContact CA-O 3.28Å; V110-I150 HydrophobicContact CG1-CB 4.4Å; V110-I150 HydrophobicContact CG2-CB 4.28Å; V110-I150 HydrophobicContact CG2-CD1 4.34Å; V110-R152 CarbonylContact C-O 3.59Å; V110-R152 HydrophobicContact CG1-CB 3.99Å; V110-G154 WeakPolarHBondContact O-CA 3.42Å; V110-F157 HydrophobicContact CB-CG 4.4Å; V110-F157 HydrophobicContact CG1-CB 4.12Å; V110-F157 HydrophobicContact CG1-CD2 4.27Å; V110-F157 HydrophobicContact CG1-CG 4.12Å; V110-F157 HydrophobicContact CG2-CD1 3.78Å; V110-F157 HydrophobicContact CG2-CD2 4.36Å; V110-F157 HydrophobicContact CG2-CE1 3.93Å; V110-F157 HydrophobicContact CG2-CG 3.99Å; V110-F157 HydrophobicContact CG2-CZ 4.31Å |
| 111 | G | 93.6 | Very high | 93.5 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 29.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I150 R152 | G111-I150 PolarHBondContact N-O 3.17Å; G111-R152 WeakPolarHBondContact CA-O 3.38Å; G111-R152 PolarHBondContact N-O 2.9Å; G111-R152 VanDerWaalsContact N-O 3.13Å |
| 112 | G | 93.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | N109 V110 | N109-G112 WeakPolarHBondContact OD1-CA 3.29Å; N109-G112 PolarHBondContact OD1-N 2.83Å; V110-G112 PolarHBondContact O-N 2.96Å |
| 113 | T | 96.3 | Very high | 95 | Very high | 59 Ų | 59 | 55 Ų | 55 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.9 | 174.6 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | V110 F115 | V110-T113 PolarHBondContact N-O 3.36Å; V110-T113 WeakPolarHBondContact O-CB 3.41Å; V110-T113 PolarHBondContact O-N 2.77Å; T113-F115 HydrophobicContact CG2-CD2 4.27Å; T113-F115 HydrophobicContact CG2-CE2 3.44Å; T113-F115 VanDerWaalsContact CG2-CE2 3.44Å; T113-F115 HydrophobicContact CG2-CZ 3.61Å |
| 114 | Y | 96.6 | Very high | 95.2 | Very high | 132 Ų | 132 | 57 Ų | 57 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.7 | -176.2 | -50.8 | -59 | 0 | 0 | 0 | 112.3 | L108 N109 R147 | L108-Y114 WeakPolarHBondContact O-CA 3.31Å; N109-Y114 HydrophobicContact CB-CD1 4.03Å; N109-Y114 HydrophobicContact CB-CE1 4.14Å; Y114-R147 VanDerWaalsContact CD1-CZ 3.48Å; Y114-R147 VanDerWaalsContact CE1-NH1 3.33Å |
| 115 | F | 96.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.5 | 175.2 | -64.2 | -87.1 | 0 | 0 | 0 | 111.1 | L108 V110 T113 G154 F157 L161 | L108-F115 HydrophobicContact CB-CB 4.26Å; L108-F115 PolarHBondContact N-O 2.94Å; L108-F115 PolarHBondContact O-N 2.87Å; V110-F115 HydrophobicContact CB-CD2 4.3Å; V110-F115 HydrophobicContact CB-CE2 4.23Å; V110-F115 HydrophobicContact CG2-CD2 3.98Å; V110-F115 HydrophobicContact CG2-CE2 4.35Å; T113-F115 HydrophobicContact CG2-CD2 4.27Å; T113-F115 HydrophobicContact CG2-CE2 3.44Å; T113-F115 VanDerWaalsContact CG2-CE2 3.44Å; T113-F115 HydrophobicContact CG2-CZ 3.61Å; F115-G154 VanDerWaalsContact CZ-O 3.29Å; F115-G154 WeakPolarHBondContact CZ-O 3.16Å; F115-F157 HydrophobicContact CD1-CD1 4.32Å; F115-F157 AromaticContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CE1 4.26Å; F115-F157 HydrophobicContact CD2-CG 4.49Å; F115-F157 HydrophobicContact CE1-CD1 4.43Å; F115-F157 HydrophobicContact CE2-CB 3.89Å; F115-F157 AromaticContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CG 4.23Å; F115-F157 AromaticContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CE1 4.35Å; F115-F157 HydrophobicContact CZ-CB 4.03Å; F115-F157 HydrophobicContact CZ-CD1 4.14Å; F115-L161 HydrophobicContact CB-CD1 3.92Å; F115-L161 HydrophobicContact CD1-CD1 3.64Å; F115-L161 HydrophobicContact CE1-CD1 4.4Å; F115-L161 HydrophobicContact CG-CD1 3.94Å |
| 116 | T | 96.3 | Very high | 94.9 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.6 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | V105 I106 R165 | V105-T116 HydrophobicContact CG1-CG2 3.43Å; V105-T116 VanDerWaalsContact CG1-CG2 3.43Å; I106-T116 WeakPolarHBondContact O-CA 3.4Å; T116-R165 PolarHBondContact O-NH2 2.9Å |
| 117 | T | 96.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 172.5 | -177.4 | -162 | 0 | 0 | 0 | 0 | 111.2 | I106 L108 L122 L161 | I106-T117 PolarHBondContact N-O 2.88Å; I106-T117 PolarHBondContact O-N 3.47Å; L108-T117 HydrophobicContact CD1-CG2 4.09Å; T117-L122 HydrophobicContact CG2-CD1 3.7Å; T117-L122 HydrophobicContact CG2-CD2 3.93Å; T117-L122 HydrophobicContact CG2-CG 3.66Å; T117-L161 HydrophobicContact CG2-CD2 4.15Å |
| 118 | R | 95.3 | Very high | 94.6 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 148.2 | 175.2 | -63.8 | -173.7 | -175 | 178.6 | 1.1 | 111 | E104 S120 T121 L122 | E104-R118 CarbonylContact O-C 3.55Å; E104-R118 VanDerWaalsContact O-CA 3.28Å; E104-R118 WeakPolarHBondContact O-CA 3.38Å; R118-S120 PolarHBondContact O-N 3.49Å; R118-T121 WeakPolarHBondContact O-CB 3.47Å; R118-T121 PolarHBondContact O-N 3.32Å; R118-L122 PolarHBondContact O-N 2.76Å |
| 119 | L | 94.2 | Very high | 94.5 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.4 | -37.7 | 171.9 | -179 | 64.1 | 0 | 0 | 0 | 111.7 | F102 E104 I106 T121 L122 R123 F134 | F102-L119 HydrophobicContact CB-CD1 3.81Å; F102-L119 HydrophobicContact CB-CD2 3.72Å; F102-L119 HydrophobicContact CB-CG 4.37Å; F102-L119 HydrophobicContact CG-CD1 4.18Å; E104-L119 PolarHBondContact O-N 2.86Å; I106-L119 HydrophobicContact CD1-CD1 4.35Å; I106-L119 HydrophobicContact CG1-CB 4.13Å; I106-L119 HydrophobicContact CG1-CD1 4.35Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 3.05Å; L119-R123 HydrophobicContact CD1-CG 4.36Å; L119-R123 WeakPolarHBondContact O-CB 3.14Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-F134 HydrophobicContact CD1-CB 3.89Å; L119-F134 HydrophobicContact CD1-CD1 4.43Å; L119-F134 HydrophobicContact CD1-CG 4.49Å |
| 120 | S | 94.5 | Very high | 94.4 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.9 | -31 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | R118 R123 R124 | R118-S120 PolarHBondContact O-N 3.49Å; S120-R123 CarbonylContact O-C 3.53Å; S120-R124 PolarHBondContact O-N 3.07Å; S120-R124 VanDerWaalsContact O-N 3.08Å |
| 121 | T | 95.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111 | R118 L119 R123 R124 L164 R165 | R118-T121 WeakPolarHBondContact O-CB 3.47Å; R118-T121 PolarHBondContact O-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.47Å; T121-R123 PolarHBondContact O-N 3.25Å; T121-R124 WeakPolarHBondContact O-CB 3.1Å; T121-R124 PolarHBondContact O-N 3.18Å; T121-L164 HydrophobicContact CG2-CB 3.7Å; T121-R165 HydrophobicContact CG2-CG 3.77Å |
| 122 | L | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.3 | -24.6 | 179.1 | -64.2 | 172 | 0 | 0 | 0 | 112.9 | I106 L108 T117 R118 L119 L130 A131 F134 L161 | I106-L122 HydrophobicContact CB-CD1 4.1Å; I106-L122 HydrophobicContact CG1-CD1 4.24Å; I106-L122 HydrophobicContact CG2-CD1 3.88Å; L108-L122 HydrophobicContact CD1-CD1 4.35Å; L108-L122 HydrophobicContact CD1-CD2 4.23Å; L108-L122 HydrophobicContact CD2-CD1 4.41Å; T117-L122 HydrophobicContact CG2-CD1 3.7Å; T117-L122 HydrophobicContact CG2-CD2 3.93Å; T117-L122 HydrophobicContact CG2-CG 3.66Å; R118-L122 PolarHBondContact O-N 2.76Å; L119-L122 PolarHBondContact O-N 3.05Å; L122-L130 HydrophobicContact CD2-CD1 4.3Å; L122-L130 HydrophobicContact CD2-CD2 4.44Å; L122-A131 PolarHBondContact O-N 3.27Å; L122-F134 HydrophobicContact CB-CD2 4.28Å; L122-F134 HydrophobicContact CD1-CD1 4.37Å; L122-F134 HydrophobicContact CD1-CD2 3.83Å; L122-F134 HydrophobicContact CD1-CE1 4.34Å; L122-F134 HydrophobicContact CD1-CE2 3.81Å; L122-F134 HydrophobicContact CD1-CG 4.15Å; L122-F134 HydrophobicContact CD1-CZ 4.08Å; L122-L161 HydrophobicContact CD2-CD2 4.19Å |
| 123 | R | 93.6 | Very high | 94.1 | Very high | 121 Ų | 121 | 62.5 Ų | 62.5 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 12.5 | 178.6 | -67 | 179.3 | 60.3 | 175.9 | -5.7 | 114.1 | L119 S120 T121 Y125 F134 | L119-R123 HydrophobicContact CD1-CG 4.36Å; L119-R123 WeakPolarHBondContact O-CB 3.14Å; L119-R123 PolarHBondContact O-N 3.46Å; S120-R123 CarbonylContact O-C 3.53Å; T121-R123 PolarHBondContact O-N 3.25Å; R123-Y125 PolarHBondContact O-N 2.9Å; R123-F134 HydrophobicContact CG-CB 4.44Å |
| 124 | R | 93.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -58.7 | -34.4 | -178.5 | 177.9 | 175.6 | 177 | 158.1 | 0.8 | 113.3 | S120 T121 L164 R165 | S120-R124 PolarHBondContact O-N 3.07Å; S120-R124 VanDerWaalsContact O-N 3.08Å; T121-R124 WeakPolarHBondContact O-CB 3.1Å; T121-R124 PolarHBondContact O-N 3.18Å; R124-L164 WeakPolarHBondContact CD-O 3.46Å; R124-L164 PolarHBondContact NH1-O 2.97Å; R124-R165 PolarHBondContact NH1-O 3.03Å |
| 125 | Y | 92.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -122.1 | 109.3 | 179.2 | -63.1 | -77.1 | 0 | 0 | 0 | 108.3 | R123 D127 T128 A131 F163 L164 P189 | R123-Y125 PolarHBondContact O-N 2.9Å; Y125-D127 PolarHBondContact O-N 3.42Å; Y125-T128 WeakPolarHBondContact O-CG2 3.38Å; Y125-T128 PolarHBondContact O-N 3.01Å; Y125-T128 PolarHBondContact O-OG1 3.08Å; Y125-A131 WeakPolarHBondContact O-CB 3.49Å; Y125-F163 AromaticContact CE2-CE1 3.95Å; Y125-F163 HydrophobicContact CE2-CE1 3.95Å; Y125-L164 HydrophobicContact CD2-CD2 3.62Å; Y125-L164 HydrophobicContact CE2-CD2 4Å; Y125-P189 HydrophobicContact CD1-CG 3.96Å; Y125-P189 HydrophobicContact CE1-CB 4.27Å; Y125-P189 HydrophobicContact CE1-CG 3.82Å |
| 126 | E | 88.9 | Confident | 92.9 | Very high | 176 Ų | 176 | 54.3 Ų | 54.3 | 82% | 0.822 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.8 | -169.2 | -58.8 | -170.2 | 158.2 | 0 | 0 | 114 | T128 | E126-T128 VanDerWaalsContact C-N 3.35Š|
| 127 | D | 90.9 | Very high | 92.4 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1 | -179.6 | 58.9 | -30.1 | 0 | 0 | 0 | 114 | Y125 | Y125-D127 PolarHBondContact O-N 3.42Š|
| 128 | T | 94.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -88.9 | 155.3 | -178.7 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | Y125 E126 L130 A131 A132 I187 | Y125-T128 WeakPolarHBondContact O-CG2 3.38Å; Y125-T128 PolarHBondContact O-N 3.01Å; Y125-T128 PolarHBondContact O-OG1 3.08Å; E126-T128 VanDerWaalsContact C-N 3.35Å; T128-L130 PolarHBondContact O-N 3.15Å; T128-A131 PolarHBondContact O-N 3.24Å; T128-A131 WeakPolarHBondContact OG1-CB 3.35Å; T128-A131 PolarHBondContact OG1-N 2.97Å; T128-A131 VanDerWaalsContact OG1-N 3.11Å; T128-A132 PolarHBondContact O-N 2.95Å; T128-I187 HydrophobicContact CG2-CB 4.35Å; T128-I187 HydrophobicContact CG2-CG1 4Å; T128-I187 HydrophobicContact CG2-CG2 4.38Å |
| 129 | M | 94.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 65.1 Ų | 65.1 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 172 | -175.1 | -175.8 | -74.4 | 0 | 0 | 111.4 | A132 M133 Y184 Y185 | M129-A132 WeakPolarHBondContact O-CB 2.97Å; M129-A132 PolarHBondContact O-N 3.37Å; M129-M133 HydrophobicContact CG-CG 4.29Å; M129-M133 HydrophobicContact CG-SD 4.09Å; M129-M133 WeakPolarHBondContact O-CB 3.34Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.45Å; M129-M133 PolarHBondContact O-N 3.32Å; M129-M133 HydrophobicContact SD-SD 4.46Å; M129-Y184 WeakPolarHBondContact CE-O 3.21Å; M129-Y184 HydrophobicContact SD-CD1 4.25Å; M129-Y184 HydrophobicContact SD-CE1 3.7Å; M129-Y185 WeakPolarHBondContact CB-O 3.4Å; M129-Y185 PolarHBondContact N-O 2.85Å |
| 130 | L | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 177.6 | -66.8 | 171.2 | 0 | 0 | 0 | 111.2 | L122 T128 A132 M133 F134 I150 F157 I160 L164 Y185 I187 | L122-L130 HydrophobicContact CD2-CD1 4.3Å; L122-L130 HydrophobicContact CD2-CD2 4.44Å; T128-L130 PolarHBondContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.26Å; L130-M133 PolarHBondContact O-N 3.23Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å; L130-F134 PolarHBondContact O-N 2.88Å; L130-I150 HydrophobicContact CD2-CD1 4.27Å; L130-F157 HydrophobicContact CD1-CE2 4.35Å; L130-F157 HydrophobicContact CD2-CE2 4.36Å; L130-F157 HydrophobicContact CD2-CZ 4.47Å; L130-I160 HydrophobicContact CD1-CG2 4.4Å; L130-L164 HydrophobicContact CD1-CD1 3.73Å; L130-Y185 HydrophobicContact CD1-CD1 4.2Å; L130-Y185 HydrophobicContact CD1-CG 4.26Å; L130-Y185 HydrophobicContact CD2-CD1 3.72Å; L130-Y185 HydrophobicContact CD2-CE1 3.87Å; L130-Y185 HydrophobicContact CG-CD1 3.78Å; L130-Y185 HydrophobicContact CG-CE1 4.42Å; L130-Y185 HydrophobicContact CG-CG 4.24Å; L130-I187 HydrophobicContact CD1-CD1 4.43Å |
| 131 | A | 93.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L122 Y125 T128 F134 S135 | L122-A131 PolarHBondContact O-N 3.27Å; Y125-A131 WeakPolarHBondContact O-CB 3.49Å; T128-A131 PolarHBondContact O-N 3.24Å; T128-A131 WeakPolarHBondContact OG1-CB 3.35Å; T128-A131 PolarHBondContact OG1-N 2.97Å; T128-A131 VanDerWaalsContact OG1-N 3.11Å; A131-F134 CarbonylContact O-C 3.58Å; A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.28Å |
| 132 | A | 92.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T128 M129 L130 F134 S135 H138 | T128-A132 PolarHBondContact O-N 2.95Å; M129-A132 WeakPolarHBondContact O-CB 2.97Å; M129-A132 PolarHBondContact O-N 3.37Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.26Å; A132-F134 PolarHBondContact O-N 3.31Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.19Å; A132-S135 PolarHBondContact O-N 3.32Å; A132-S135 VanDerWaalsContact O-N 3.11Å; A132-S135 PolarHBondContact O-OG 3.36Å; A132-H138 PolarHBondContact O-CD2 3.05Å |
| 133 | M | 91.4 | Very high | 91 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 17% | 0.167 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.2 | -51.5 | 176.6 | -72 | 174.2 | 76.7 | 0 | 0 | 110.8 | M129 L130 S135 I140 I150 | M129-M133 HydrophobicContact CG-CG 4.29Å; M129-M133 HydrophobicContact CG-SD 4.09Å; M129-M133 WeakPolarHBondContact O-CB 3.34Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.45Å; M129-M133 PolarHBondContact O-N 3.32Å; M129-M133 HydrophobicContact SD-SD 4.46Å; L130-M133 PolarHBondContact O-N 3.23Å; M133-S135 PolarHBondContact O-N 3.19Å; M133-I140 HydrophobicContact CB-CD1 3.85Å; M133-I140 HydrophobicContact CB-CG1 4.2Å; M133-I140 HydrophobicContact CE-CD1 4.45Å; M133-I140 HydrophobicContact CE-CG1 4.32Å; M133-I140 HydrophobicContact CE-CG2 3.93Å; M133-I150 HydrophobicContact CE-CD1 4.34Å; M133-I150 HydrophobicContact CE-CG1 4.18Å |
| 134 | F | 92 | Very high | 91 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 19.8 | -179.2 | -65.7 | -82.7 | 0 | 0 | 0 | 113.9 | F102 I106 L108 L119 L122 R123 L130 A131 A132 I140 F148 | F102-F134 AromaticContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CE1 4.28Å; F102-F134 AromaticContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CE1 4.07Å; F102-F134 WeakPolarHBondContact CE2-O 3.43Å; F102-F134 HydrophobicContact CG-CD1 4.44Å; F102-F134 HydrophobicContact CZ-CD1 4.18Å; I106-F134 HydrophobicContact CD1-CD1 4.4Å; I106-F134 HydrophobicContact CD1-CE1 4.41Å; I106-F134 HydrophobicContact CG2-CD1 4.47Å; I106-F134 HydrophobicContact CG2-CE1 3.72Å; I106-F134 HydrophobicContact CG2-CZ 4.07Å; L108-F134 HydrophobicContact CD2-CE1 4.38Å; L108-F134 HydrophobicContact CD2-CE2 4.17Å; L108-F134 HydrophobicContact CD2-CZ 3.54Å; L119-F134 HydrophobicContact CD1-CB 3.89Å; L119-F134 HydrophobicContact CD1-CD1 4.43Å; L119-F134 HydrophobicContact CD1-CG 4.49Å; L122-F134 HydrophobicContact CB-CD2 4.28Å; L122-F134 HydrophobicContact CD1-CD1 4.37Å; L122-F134 HydrophobicContact CD1-CD2 3.83Å; L122-F134 HydrophobicContact CD1-CE1 4.34Å; L122-F134 HydrophobicContact CD1-CE2 3.81Å; L122-F134 HydrophobicContact CD1-CG 4.15Å; L122-F134 HydrophobicContact CD1-CZ 4.08Å; R123-F134 HydrophobicContact CG-CB 4.44Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å; L130-F134 PolarHBondContact O-N 2.88Å; A131-F134 CarbonylContact O-C 3.58Å; A132-F134 PolarHBondContact O-N 3.31Å; F134-I140 HydrophobicContact CD1-CD1 3.81Å; F134-I140 HydrophobicContact CD2-CD1 4.17Å; F134-I140 HydrophobicContact CE1-CD1 3.53Å; F134-I140 HydrophobicContact CE2-CD1 3.91Å; F134-I140 HydrophobicContact CG-CD1 4.11Å; F134-I140 HydrophobicContact CZ-CD1 3.57Å; F134-F148 HydrophobicContact CE1-CB 4.37Å; F134-F148 HydrophobicContact CE1-CD1 4.26Å; F134-F148 AromaticContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CE1 4.46Å; F134-F148 HydrophobicContact CE1-CE2 4.11Å; F134-F148 AromaticContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CZ 4.37Å; F134-F148 HydrophobicContact CZ-CB 4.13Å; F134-F148 HydrophobicContact CZ-CD2 4.41Å; F134-F148 HydrophobicContact CZ-CG 4.19Å |
| 135 | S | 88.1 | Confident | 90.9 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9 | 173.4 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | A131 A132 M133 R137 | A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.28Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.19Å; A132-S135 PolarHBondContact O-N 3.32Å; A132-S135 VanDerWaalsContact O-N 3.11Å; A132-S135 PolarHBondContact O-OG 3.36Å; M133-S135 PolarHBondContact O-N 3.19Å; S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å; S135-R137 PolarHBondContact OG-NE 3.13Å; S135-R137 PolarHBondContact OG-NH2 2.97Å |
| 136 | G | 85.3 | Confident | 90.9 | Very high | 20 Ų | 20 | 70.5 Ų | 70.5 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -4.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P100 | P100-G136 WeakPolarHBondContact CG-O 3.38Š|
| 137 | R | 84.9 | Confident | 91.1 | Very high | 194 Ų | 194 | 64.5 Ų | 64.5 | 73% | 0.732 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.4 | 175.4 | -59.6 | 177.7 | -66.7 | 173.5 | -0.2 | 113.4 | S135 | S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å; S135-R137 PolarHBondContact OG-NE 3.13Å; S135-R137 PolarHBondContact OG-NH2 2.97Å |
| 138 | H | 85.8 | Confident | 91.3 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -124.6 | 136.9 | -175.3 | -62.1 | -90.7 | 0 | 0 | 0 | 110.2 | A132 | A132-H138 PolarHBondContact O-CD2 3.05Š|
| 139 | H | 86.8 | Confident | 91.4 | Very high | 173 Ų | 173 | 62.9 Ų | 62.9 | 80% | 0.801 | 33% | 0.326 | S | S | * | . | trans | -77.6 | 123.6 | 168.3 | 179.2 | 76.6 | 0 | 0 | 0 | 109.1 | ||||
| 140 | I | 89.8 | Confident | 91.4 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | trans | -106.3 | 127.2 | 173.2 | -48.6 | 172.4 | 0 | 0 | 0 | 107.5 | F102 M133 F134 F148 | F102-I140 HydrophobicContact CE1-CD1 4.29Å; F102-I140 HydrophobicContact CZ-CD1 4.48Å; M133-I140 HydrophobicContact CB-CD1 3.85Å; M133-I140 HydrophobicContact CB-CG1 4.2Å; M133-I140 HydrophobicContact CE-CD1 4.45Å; M133-I140 HydrophobicContact CE-CG1 4.32Å; M133-I140 HydrophobicContact CE-CG2 3.93Å; F134-I140 HydrophobicContact CD1-CD1 3.81Å; F134-I140 HydrophobicContact CD2-CD1 4.17Å; F134-I140 HydrophobicContact CE1-CD1 3.53Å; F134-I140 HydrophobicContact CE2-CD1 3.91Å; F134-I140 HydrophobicContact CG-CD1 4.11Å; F134-I140 HydrophobicContact CZ-CD1 3.57Å; I140-F148 HydrophobicContact CB-CD1 3.86Å; I140-F148 HydrophobicContact CB-CE1 4.45Å; I140-F148 HydrophobicContact CD1-CD1 4.14Å; I140-F148 HydrophobicContact CD1-CE1 4.45Å; I140-F148 HydrophobicContact CG2-CB 4.11Å; I140-F148 HydrophobicContact CG2-CD1 3.98Å | ||
| 141 | P | 92.4 | Very high | 91.4 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | trans | -56.2 | 156.2 | 173.5 | -24.8 | 34.9 | 0 | 0 | 0 | 112.5 | F149 | P141-F149 HydrophobicContact CB-CB 4.45Å; P141-F149 PolarHBondContact O-N 3.14Å | ||
| 142 | R | 94 | Very high | 91.5 | Very high | 154 Ų | 154 | 69.4 Ų | 69.4 | 58% | 0.581 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -126.3 | 149.9 | 172.7 | -68.4 | 178.9 | 178.4 | 173.9 | 2.7 | 110.7 | G146 R147 F148 | R142-G146 WeakPolarHBondContact CD-O 3.33Å; R142-R147 CarbonylContact C-O 3.53Å; R142-R147 WeakPolarHBondContact CA-O 3.36Å; R142-R147 WeakPolarHBondContact CB-O 3.19Å; R142-F148 HydrophobicContact CG-CD1 4.09Å; R142-F148 HydrophobicContact CG-CE1 4.5Å; R142-F148 VanDerWaalsContact NH2-CZ 3.29Å |
| 143 | D | 93.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | trans | -77.9 | 179.3 | 170.4 | 66.9 | 11.8 | 0 | 0 | 0 | 112.2 | N109 E145 G146 R147 | N109-D143 WeakPolarHBondContact CB-OD2 3.41Å; N109-D143 PolarHBondContact ND2-OD2 2.83Å; D143-E145 VanDerWaalsContact CG-OE2 3.31Å; D143-E145 PolarHBondContact O-N 2.93Å; D143-E145 PolarHBondContact OD1-N 2.97Å; D143-G146 PolarHBondContact O-N 3.14Å; D143-G146 PolarHBondContact OD1-N 2.98Å; D143-G146 VanDerWaalsContact OD1-N 3.12Å; D143-R147 PolarHBondContact N-O 3.04Å; D143-R147 WeakPolarHBondContact OD1-CB 3.49Å; D143-R147 PolarHBondContact OD1-N 2.84Å; D143-R147 IonicContact OD1-NE 3.49Å; D143-R147 PolarHBondContact OD1-NE 3.09Å; D143-R147 IonicContact OD2-CZ 3.32Å; D143-R147 VanDerWaalsContact OD2-CZ 3.32Å; D143-R147 IonicContact OD2-NE 2.75Å; D143-R147 PolarHBondContact OD2-NE 3.22Å; D143-R147 IonicContact OD2-NH2 3.08Å; D143-R147 PolarHBondContact OD2-NH2 3Å; D143-R147 VanDerWaalsContact OD2-NH2 3.08Å | ||
| 144 | A | 92.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 70.2 Ų | 70.2 | 84% | 0.835 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G146 | A144-G146 VanDerWaalsContact C-N 3.35Š|
| 145 | E | 92.3 | Very high | 91.5 | Very high | 126 Ų | 126 | 72.9 Ų | 72.9 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.8 | 177.7 | -57.7 | 75.6 | -169.8 | 0 | 0 | 112.8 | D143 R147 | D143-E145 VanDerWaalsContact CG-OE2 3.31Å; D143-E145 PolarHBondContact O-N 2.93Å; D143-E145 PolarHBondContact OD1-N 2.97Å; E145-R147 IonicContact OE1-NH2 3.8Å; E145-R147 IonicContact OE2-CZ 3.72Å; E145-R147 IonicContact OE2-NH2 2.71Å; E145-R147 PolarHBondContact OE2-NH2 2.86Å |
| 146 | G | 91.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 80.5 | 10.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | R142 D143 A144 | R142-G146 WeakPolarHBondContact CD-O 3.33Å; D143-G146 PolarHBondContact O-N 3.14Å; D143-G146 PolarHBondContact OD1-N 2.98Å; D143-G146 VanDerWaalsContact OD1-N 3.12Å; A144-G146 VanDerWaalsContact C-N 3.35Å |
| 147 | R | 94.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 73.2 Ų | 73.2 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 145 | 175.4 | -54.7 | 171.7 | -76 | -142.7 | -5.5 | 109.4 | N109 Y114 R142 D143 E145 F149 | N109-R147 HydrophobicContact CB-CB 4.35Å; Y114-R147 VanDerWaalsContact CD1-CZ 3.48Å; Y114-R147 VanDerWaalsContact CE1-NH1 3.33Å; R142-R147 CarbonylContact C-O 3.53Å; R142-R147 WeakPolarHBondContact CA-O 3.36Å; R142-R147 WeakPolarHBondContact CB-O 3.19Å; D143-R147 PolarHBondContact N-O 3.04Å; D143-R147 WeakPolarHBondContact OD1-CB 3.49Å; D143-R147 PolarHBondContact OD1-N 2.84Å; D143-R147 IonicContact OD1-NE 3.49Å; D143-R147 PolarHBondContact OD1-NE 3.09Å; D143-R147 IonicContact OD2-CZ 3.32Å; D143-R147 VanDerWaalsContact OD2-CZ 3.32Å; D143-R147 IonicContact OD2-NE 2.75Å; D143-R147 PolarHBondContact OD2-NE 3.22Å; D143-R147 IonicContact OD2-NH2 3.08Å; D143-R147 PolarHBondContact OD2-NH2 3Å; D143-R147 VanDerWaalsContact OD2-NH2 3.08Å; E145-R147 IonicContact OE1-NH2 3.8Å; E145-R147 IonicContact OE2-CZ 3.72Å; E145-R147 IonicContact OE2-NH2 2.71Å; E145-R147 PolarHBondContact OE2-NH2 2.86Å; R147-F149 PolarHBondContact O-N 3.26Å |
| 148 | F | 94.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 65 Ų | 65 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.8 | 179.3 | -65.1 | -81.9 | 0 | 0 | 0 | 110.6 | F102 I106 S107 L108 N109 F134 I140 R142 | F102-F148 HydrophobicContact CD1-CE1 4.3Å; F102-F148 HydrophobicContact CD1-CE2 4.26Å; F102-F148 AromaticContact CD1-CZ 3.64Å; F102-F148 HydrophobicContact CD1-CZ 3.64Å; F102-F148 AromaticContact CE1-CE1 3.82Å; F102-F148 HydrophobicContact CE1-CE1 3.82Å; F102-F148 AromaticContact CE1-CZ 3.64Å; F102-F148 HydrophobicContact CE1-CZ 3.64Å; I106-F148 HydrophobicContact CD1-CE2 4.03Å; I106-F148 HydrophobicContact CG2-CD2 3.78Å; I106-F148 HydrophobicContact CG2-CE2 4.14Å; S107-F148 PolarHBondContact O-N 3.17Å; L108-F148 CarbonylContact C-O 3.58Å; L108-F148 WeakPolarHBondContact CA-O 3.41Å; L108-F148 HydrophobicContact CD2-CB 4.05Å; N109-F148 PolarHBondContact N-O 2.92Å; F134-F148 HydrophobicContact CE1-CB 4.37Å; F134-F148 HydrophobicContact CE1-CD1 4.26Å; F134-F148 AromaticContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CE1 4.46Å; F134-F148 HydrophobicContact CE1-CE2 4.11Å; F134-F148 AromaticContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CZ 4.37Å; F134-F148 HydrophobicContact CZ-CB 4.13Å; F134-F148 HydrophobicContact CZ-CD2 4.41Å; F134-F148 HydrophobicContact CZ-CG 4.19Å; I140-F148 HydrophobicContact CB-CD1 3.86Å; I140-F148 HydrophobicContact CB-CE1 4.45Å; I140-F148 HydrophobicContact CD1-CD1 4.14Å; I140-F148 HydrophobicContact CD1-CE1 4.45Å; I140-F148 HydrophobicContact CG2-CB 4.11Å; I140-F148 HydrophobicContact CG2-CD1 3.98Å; R142-F148 HydrophobicContact CG-CD1 4.09Å; R142-F148 HydrophobicContact CG-CE1 4.5Å; R142-F148 VanDerWaalsContact NH2-CZ 3.29Å |
| 149 | F | 95.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137 | -174.7 | -179.3 | -108 | 0 | 0 | 0 | 112.1 | N109 P141 R147 D151 | N109-F149 HydrophobicContact CB-CD2 4.19Å; N109-F149 CarbonylContact O-C 3.58Å; N109-F149 WeakPolarHBondContact O-CA 3.19Å; N109-F149 WeakPolarHBondContact O-CD2 3.45Å; P141-F149 HydrophobicContact CB-CB 4.45Å; P141-F149 PolarHBondContact O-N 3.14Å; R147-F149 PolarHBondContact O-N 3.26Å; F149-D151 HydrophobicContact CE1-CB 3.86Å; F149-D151 HydrophobicContact CZ-CB 4.14Å |
| 150 | I | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121 | 174.9 | -53.6 | -177.1 | 0 | 0 | 0 | 107.9 | N109 V110 G111 L130 M133 R152 Y185 | N109-I150 PolarHBondContact O-N 3.35Å; V110-I150 WeakPolarHBondContact CA-O 3.28Å; V110-I150 HydrophobicContact CG1-CB 4.4Å; V110-I150 HydrophobicContact CG2-CB 4.28Å; V110-I150 HydrophobicContact CG2-CD1 4.34Å; G111-I150 PolarHBondContact N-O 3.17Å; L130-I150 HydrophobicContact CD2-CD1 4.27Å; M133-I150 HydrophobicContact CE-CD1 4.34Å; M133-I150 HydrophobicContact CE-CG1 4.18Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 HydrophobicContact CG2-CB 4.06Å; I150-R152 HydrophobicContact CG2-CG 3.78Å; I150-R152 PolarHBondContact O-N 3.32Å; I150-Y185 HydrophobicContact CG2-CE1 4.21Å |
| 151 | D | 94.7 | Very high | 94 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | trans | -82.4 | 69.3 | 180 | -167.6 | 26.2 | 0 | 0 | 0 | 111.3 | F149 | F149-D151 HydrophobicContact CE1-CB 3.86Å; F149-D151 HydrophobicContact CZ-CB 4.14Å | ||
| 152 | R | 94.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -142.6 | 166.1 | -179.2 | -68 | -55.6 | -62.6 | 175 | -0.6 | 111.2 | V110 G111 I150 G154 E181 Y184 Y185 | V110-R152 CarbonylContact C-O 3.59Å; V110-R152 HydrophobicContact CG1-CB 3.99Å; G111-R152 WeakPolarHBondContact CA-O 3.38Å; G111-R152 PolarHBondContact N-O 2.9Å; G111-R152 VanDerWaalsContact N-O 3.13Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 HydrophobicContact CG2-CB 4.06Å; I150-R152 HydrophobicContact CG2-CG 3.78Å; I150-R152 PolarHBondContact O-N 3.32Å; R152-G154 PolarHBondContact O-N 2.92Å; R152-E181 IonicContact CZ-OE1 2.68Å; R152-E181 IonicContact CZ-OE2 2.66Å; R152-E181 IonicContact NE-OE1 3.12Å; R152-E181 IonicContact NE-OE2 3.99Å; R152-E181 PolarHBondContact NE-OE2 2.96Å; R152-E181 VanDerWaalsContact NH2-CD 3.26Å; R152-E181 IonicContact NH2-OE1 2.81Å; R152-E181 PolarHBondContact NH2-OE1 3.27Å; R152-E181 IonicContact NH2-OE2 3.78Å; R152-E181 PolarHBondContact NH2-OE2 3.44Å; R152-Y184 HydrophobicContact CG-CD1 3.76Å; R152-Y184 HydrophobicContact CG-CE1 3.43Å; R152-Y184 VanDerWaalsContact CG-CE1 3.43Å; R152-Y184 HydrophobicContact CG-CG 4.44Å; R152-Y185 WeakPolarHBondContact CB-OH 3.41Å |
| 153 | D | 90.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | trans | -72.4 | 109.2 | 178.2 | -170.6 | -10.9 | 0 | 0 | 0 | 111.4 | A155 Y156 | D153-A155 PolarHBondContact O-N 3.1Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 3.11Å; D153-Y156 HydrophobicContact CB-CD2 4.3Å; D153-Y156 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.4Å | ||
| 154 | G | 92.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -18.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V110 F115 R152 Y156 F157 | V110-G154 WeakPolarHBondContact O-CA 3.42Å; F115-G154 VanDerWaalsContact CZ-O 3.29Å; F115-G154 WeakPolarHBondContact CZ-O 3.16Å; R152-G154 PolarHBondContact O-N 2.92Å; G154-Y156 PolarHBondContact O-N 2.8Å; G154-F157 PolarHBondContact O-N 3.3Å |
| 155 | A | 93.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -32.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | D153 | D153-A155 PolarHBondContact O-N 3.1Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 3.11Å |
| 156 | Y | 94.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -102.2 | -11.3 | -179.2 | -53.2 | -69 | 0 | 0 | 0 | 113.2 | D153 G154 G158 D159 I160 S177 V178 | D153-Y156 HydrophobicContact CB-CD2 4.3Å; D153-Y156 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.4Å; G154-Y156 PolarHBondContact O-N 2.8Å; Y156-G158 PolarHBondContact O-N 3.28Å; Y156-D159 PolarHBondContact O-N 2.79Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-I160 PolarHBondContact O-N 3.25Å; Y156-S177 PolarHBondContact OH-OG 3.06Å; Y156-V178 HydrophobicContact CD1-CG2 4.12Å; Y156-V178 HydrophobicContact CG-CG2 4.47Å |
| 157 | F | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -23.6 | -179.6 | -168.1 | -100.5 | 0 | 0 | 0 | 113 | L108 V110 F115 L130 G154 I160 L161 Y185 | L108-F157 HydrophobicContact CD1-CE1 3.62Å; L108-F157 HydrophobicContact CD1-CZ 3.86Å; V110-F157 HydrophobicContact CB-CG 4.4Å; V110-F157 HydrophobicContact CG1-CB 4.12Å; V110-F157 HydrophobicContact CG1-CD2 4.27Å; V110-F157 HydrophobicContact CG1-CG 4.12Å; V110-F157 HydrophobicContact CG2-CD1 3.78Å; V110-F157 HydrophobicContact CG2-CD2 4.36Å; V110-F157 HydrophobicContact CG2-CE1 3.93Å; V110-F157 HydrophobicContact CG2-CG 3.99Å; V110-F157 HydrophobicContact CG2-CZ 4.31Å; F115-F157 HydrophobicContact CD1-CD1 4.32Å; F115-F157 AromaticContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CE1 4.26Å; F115-F157 HydrophobicContact CD2-CG 4.49Å; F115-F157 HydrophobicContact CE1-CD1 4.43Å; F115-F157 HydrophobicContact CE2-CB 3.89Å; F115-F157 AromaticContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CG 4.23Å; F115-F157 AromaticContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CE1 4.35Å; F115-F157 HydrophobicContact CZ-CB 4.03Å; F115-F157 HydrophobicContact CZ-CD1 4.14Å; L130-F157 HydrophobicContact CD1-CE2 4.35Å; L130-F157 HydrophobicContact CD2-CE2 4.36Å; L130-F157 HydrophobicContact CD2-CZ 4.47Å; G154-F157 PolarHBondContact O-N 3.3Å; F157-I160 HydrophobicContact CD2-CB 4.38Å; F157-I160 HydrophobicContact CE2-CG2 4.41Å; F157-I160 WeakPolarHBondContact O-CB 3.45Å; F157-I160 PolarHBondContact O-N 3.41Å; F157-L161 HydrophobicContact CD1-CD1 3.89Å; F157-L161 HydrophobicContact CD1-CG 3.92Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CD2 3.87Å; F157-L161 HydrophobicContact CE1-CG 3.6Å; F157-L161 HydrophobicContact CZ-CD2 4.17Å; F157-L161 HydrophobicContact CZ-CG 4.25Å; F157-L161 PolarHBondContact O-N 3.27Å; F157-Y185 AromaticContact CD2-CE2 3.64Å; F157-Y185 HydrophobicContact CD2-CE2 3.64Å; F157-Y185 AromaticContact CD2-CZ 3.61Å; F157-Y185 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y185 HydrophobicContact CE2-CE1 4.08Å; F157-Y185 AromaticContact CE2-CE2 3.85Å; F157-Y185 HydrophobicContact CE2-CE2 3.85Å; F157-Y185 AromaticContact CE2-CZ 3.58Å |
| 158 | G | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y156 L161 N162 | Y156-G158 PolarHBondContact O-N 3.28Å; G158-L161 PolarHBondContact O-N 3.06Å; G158-N162 PolarHBondContact O-N 3.38Å; G158-N162 PolarHBondContact O-OD1 2.62Å |
| 159 | D | 95.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.9 | -64.1 | -73.3 | 0 | 0 | 0 | 111.1 | Y156 L161 N162 F163 P170 R174 V178 | Y156-D159 PolarHBondContact O-N 2.79Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; D159-L161 PolarHBondContact O-N 2.69Å; D159-N162 PolarHBondContact O-N 3.35Å; D159-F163 PolarHBondContact O-N 2.84Å; D159-P170 HydrophobicContact CB-CB 4.08Å; D159-R174 WeakPolarHBondContact OD2-CD 3.5Å; D159-R174 IonicContact OD2-CZ 3.95Å; D159-R174 IonicContact OD2-NH1 2.97Å; D159-R174 PolarHBondContact OD2-NH1 3.45Å; D159-V178 HydrophobicContact CB-CG1 4.19Å; D159-V178 HydrophobicContact CB-CG2 3.73Å |
| 160 | I | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 171.8 | -59.6 | -63.3 | 0 | 0 | 0 | 111.5 | L130 Y156 F157 F163 L164 V178 E181 A182 Y185 I187 L190 | L130-I160 HydrophobicContact CD1-CG2 4.4Å; Y156-I160 PolarHBondContact O-N 3.25Å; F157-I160 HydrophobicContact CD2-CB 4.38Å; F157-I160 HydrophobicContact CE2-CG2 4.41Å; F157-I160 WeakPolarHBondContact O-CB 3.45Å; F157-I160 PolarHBondContact O-N 3.41Å; I160-F163 PolarHBondContact O-N 3.41Å; I160-L164 HydrophobicContact CG2-CD1 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 3.05Å; I160-V178 HydrophobicContact CD1-CG1 3.84Å; I160-E181 HydrophobicContact CD1-CB 4.07Å; I160-E181 HydrophobicContact CG1-CB 4.15Å; I160-A182 HydrophobicContact CD1-CB 4.23Å; I160-Y185 HydrophobicContact CG1-CD2 4.37Å; I160-Y185 HydrophobicContact CG2-CD2 4.33Å; I160-I187 HydrophobicContact CD1-CD1 4.45Å; I160-I187 HydrophobicContact CG2-CD1 3.5Å; I160-L190 HydrophobicContact CD1-CD2 3.6Å |
| 161 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 178.2 | -75.7 | 179.4 | 0 | 0 | 0 | 112.8 | F115 T117 L122 F157 G158 D159 L164 R165 | F115-L161 HydrophobicContact CB-CD1 3.92Å; F115-L161 HydrophobicContact CD1-CD1 3.64Å; F115-L161 HydrophobicContact CE1-CD1 4.4Å; F115-L161 HydrophobicContact CG-CD1 3.94Å; T117-L161 HydrophobicContact CG2-CD2 4.15Å; L122-L161 HydrophobicContact CD2-CD2 4.19Å; F157-L161 HydrophobicContact CD1-CD1 3.89Å; F157-L161 HydrophobicContact CD1-CG 3.92Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CD2 3.87Å; F157-L161 HydrophobicContact CE1-CG 3.6Å; F157-L161 HydrophobicContact CZ-CD2 4.17Å; F157-L161 HydrophobicContact CZ-CG 4.25Å; F157-L161 PolarHBondContact O-N 3.27Å; G158-L161 PolarHBondContact O-N 3.06Å; D159-L161 PolarHBondContact O-N 2.69Å; L161-L164 CarbonylContact O-C 3.55Å; L161-L164 PolarHBondContact O-N 3.26Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CD 3.37Å; L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 3.01Å |
| 162 | N | 96 | Very high | 93.8 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 178.1 | -70.2 | -2.5 | 0 | 0 | 0 | 111.3 | G158 D159 L164 R165 E166 G167 E168 | G158-N162 PolarHBondContact O-N 3.38Å; G158-N162 PolarHBondContact O-OD1 2.62Å; D159-N162 PolarHBondContact O-N 3.35Å; N162-L164 PolarHBondContact O-N 3.49Å; N162-R165 PolarHBondContact O-N 3.17Å; N162-R165 PolarHBondContact OD1-NH1 3.11Å; N162-E166 PolarHBondContact O-N 3.41Å; N162-G167 PolarHBondContact O-N 3.25Å; N162-E168 HydrophobicContact CB-CB 4.38Å |
| 163 | F | 96.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 169.1 | -176.8 | -96.2 | 0 | 0 | 0 | 112.1 | Y125 D159 I160 R165 G167 E168 L169 I187 P189 L190 | Y125-F163 AromaticContact CE2-CE1 3.95Å; Y125-F163 HydrophobicContact CE2-CE1 3.95Å; D159-F163 PolarHBondContact O-N 2.84Å; I160-F163 PolarHBondContact O-N 3.41Å; F163-R165 PolarHBondContact O-N 2.99Å; F163-G167 VanDerWaalsContact O-CA 3.27Å; F163-G167 WeakPolarHBondContact O-CA 3.14Å; F163-G167 PolarHBondContact O-N 2.78Å; F163-E168 WeakPolarHBondContact CA-O 3.49Å; F163-E168 WeakPolarHBondContact CB-O 3.23Å; F163-L169 HydrophobicContact CD2-CD2 4.07Å; F163-L169 HydrophobicContact CE2-CD2 4.16Å; F163-I187 HydrophobicContact CD1-CG2 4.16Å; F163-I187 HydrophobicContact CE1-CG2 3.95Å; F163-P189 HydrophobicContact CE1-CB 4.34Å; F163-P189 HydrophobicContact CZ-CB 4.04Å; F163-L190 HydrophobicContact CB-CD1 4.26Å; F163-L190 HydrophobicContact CB-CD2 4.26Å; F163-L190 HydrophobicContact CD1-CB 3.78Å; F163-L190 HydrophobicContact CD1-CD1 4.33Å; F163-L190 HydrophobicContact CD1-CD2 4.2Å; F163-L190 HydrophobicContact CD1-CG 4.32Å; F163-L190 HydrophobicContact CD2-CB 4.37Å; F163-L190 HydrophobicContact CD2-CD1 3.63Å; F163-L190 HydrophobicContact CD2-CG 4.46Å; F163-L190 HydrophobicContact CE1-CB 3.63Å; F163-L190 HydrophobicContact CE2-CB 4.22Å; F163-L190 HydrophobicContact CE2-CD1 4Å; F163-L190 HydrophobicContact CG-CB 4.15Å; F163-L190 HydrophobicContact CG-CD1 3.8Å; F163-L190 HydrophobicContact CG-CD2 4.16Å; F163-L190 HydrophobicContact CG-CG 4.25Å; F163-L190 HydrophobicContact CZ-CB 3.86Å |
| 164 | L | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -22.5 | 177.8 | -67.1 | 175.4 | 0 | 0 | 0 | 113.6 | T121 R124 Y125 L130 I160 L161 N162 I187 | T121-L164 HydrophobicContact CG2-CB 3.7Å; R124-L164 WeakPolarHBondContact CD-O 3.46Å; R124-L164 PolarHBondContact NH1-O 2.97Å; Y125-L164 HydrophobicContact CD2-CD2 3.62Å; Y125-L164 HydrophobicContact CE2-CD2 4Å; L130-L164 HydrophobicContact CD1-CD1 3.73Å; I160-L164 HydrophobicContact CG2-CD1 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 3.05Å; L161-L164 CarbonylContact O-C 3.55Å; L161-L164 PolarHBondContact O-N 3.26Å; N162-L164 PolarHBondContact O-N 3.49Å; L164-I187 HydrophobicContact CD2-CD1 4.47Å |
| 165 | R | 94.9 | Very high | 93.6 | Very high | 98 Ų | 98 | 57.3 Ų | 57.3 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -85.5 | -52.7 | 177.2 | -73 | 163.4 | 179.9 | 167.4 | -4.1 | 112.3 | T116 T121 R124 L161 N162 F163 | T116-R165 PolarHBondContact O-NH2 2.9Å; T121-R165 HydrophobicContact CG2-CG 3.77Å; R124-R165 PolarHBondContact NH1-O 3.03Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CD 3.37Å; L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 3.01Å; N162-R165 PolarHBondContact O-N 3.17Å; N162-R165 PolarHBondContact OD1-NH1 3.11Å; F163-R165 PolarHBondContact O-N 2.99Å |
| 166 | E | 94.2 | Very high | 93.5 | Very high | 147 Ų | 147 | 60 Ų | 60 | 69% | 0.687 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -128.7 | -11.2 | -164.9 | -73.9 | 169.7 | -139.7 | 0 | 0 | 113 | N162 E168 | N162-E166 PolarHBondContact O-N 3.41Å; E166-E168 HydrophobicContact CB-CG 4.12Å |
| 167 | G | 92.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | trans | 84.2 | 12.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N162 F163 | N162-G167 PolarHBondContact O-N 3.25Å; F163-G167 VanDerWaalsContact O-CA 3.27Å; F163-G167 WeakPolarHBondContact O-CA 3.14Å; F163-G167 PolarHBondContact O-N 2.78Å | ||
| 168 | E | 93.6 | Very high | 93.3 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 140 | 177.7 | -64.1 | -166.5 | 132.4 | 0 | 0 | 112 | N162 F163 E166 | N162-E168 HydrophobicContact CB-CB 4.38Å; F163-E168 WeakPolarHBondContact CA-O 3.49Å; F163-E168 WeakPolarHBondContact CB-O 3.23Å; E166-E168 HydrophobicContact CB-CG 4.12Å |
| 169 | L | 93.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 148.1 | 174.6 | -63 | -179.8 | 0 | 0 | 0 | 110.8 | F163 L190 | F163-L169 HydrophobicContact CD2-CD2 4.07Å; F163-L169 HydrophobicContact CE2-CD2 4.16Å; L169-L190 HydrophobicContact CD2-CD1 3.85Å |
| 170 | P | 92.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 161.5 | -179.7 | 29.9 | -38.6 | 0 | 0 | 0 | 113.1 | D159 R174 V175 V178 L194 | D159-P170 HydrophobicContact CB-CB 4.08Å; P170-R174 HydrophobicContact CB-CB 4.22Å; P170-V175 HydrophobicContact CG-CG2 4.07Å; P170-V178 HydrophobicContact CB-CB 4.22Å; P170-V178 HydrophobicContact CB-CG1 4.31Å; P170-V178 HydrophobicContact CB-CG2 3.83Å; P170-V178 HydrophobicContact CG-CB 3.95Å; P170-V178 HydrophobicContact CG-CG1 3.89Å; P170-V178 HydrophobicContact CG-CG2 4.13Å; P170-L194 HydrophobicContact CG-CD2 3.58Å |
| 171 | Q | 89.9 | Confident | 93.2 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.4 | 170.5 | -61.4 | -175.3 | 3.6 | 0 | 0 | 111.5 | D173 R174 V175 | Q171-D173 WeakPolarHBondContact CB-OD1 3.38Å; Q171-D173 PolarHBondContact O-N 3.15Å; Q171-D173 VanDerWaalsContact O-N 3.17Å; Q171-R174 WeakPolarHBondContact O-CA 3.08Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.87Å; Q171-V175 PolarHBondContact O-N 2.9Å; Q171-V175 VanDerWaalsContact O-N 3.14Å |
| 172 | R | 86.9 | Confident | 93.2 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29 | -168.2 | -65.2 | 176.9 | 72.7 | -175.7 | 2.7 | 114.3 | R174 | R172-R174 VanDerWaalsContact C-N 3.34Š|
| 173 | D | 89.1 | Confident | 93.1 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -31.7 | 172.8 | 61.8 | -48 | 0 | 0 | 0 | 112.6 | Q171 | Q171-D173 WeakPolarHBondContact CB-OD1 3.38Å; Q171-D173 PolarHBondContact O-N 3.15Å; Q171-D173 VanDerWaalsContact O-N 3.17Å |
| 174 | R | 91.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 72.4 Ų | 72.4 | 35% | 0.347 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20 | -177.5 | -59.7 | -176.2 | 176.7 | -148.6 | -5.5 | 114.5 | D159 P170 Q171 R172 R176 S177 V178 | D159-R174 WeakPolarHBondContact OD2-CD 3.5Å; D159-R174 IonicContact OD2-CZ 3.95Å; D159-R174 IonicContact OD2-NH1 2.97Å; D159-R174 PolarHBondContact OD2-NH1 3.45Å; P170-R174 HydrophobicContact CB-CB 4.22Å; Q171-R174 WeakPolarHBondContact O-CA 3.08Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.87Å; R172-R174 VanDerWaalsContact C-N 3.34Å; R174-R176 PolarHBondContact O-N 2.74Å; R174-R176 VanDerWaalsContact O-N 3.1Å; R174-S177 PolarHBondContact O-N 3.37Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.36Å |
| 175 | V | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -43.9 | -46.8 | -177.4 | 164.9 | 0 | 0 | 0 | 0 | 112.8 | P170 Q171 S177 H179 L194 T197 L200 | P170-V175 HydrophobicContact CG-CG2 4.07Å; Q171-V175 PolarHBondContact O-N 2.9Å; Q171-V175 VanDerWaalsContact O-N 3.14Å; V175-S177 PolarHBondContact O-N 3.02Å; V175-H179 WeakPolarHBondContact O-CB 3.5Å; V175-H179 PolarHBondContact O-N 3Å; V175-L194 HydrophobicContact CG1-CD2 4.25Å; V175-L194 HydrophobicContact CG2-CD2 4.33Å; V175-T197 HydrophobicContact CG2-CG2 3.84Å; V175-L200 HydrophobicContact CG1-CD1 3.73Å; V175-L200 HydrophobicContact CG1-CG 3.87Å |
| 176 | R | 90.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 69.9 Ų | 69.9 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 179.2 | -73.4 | 178.2 | 170.8 | 179.9 | -7.9 | 113.3 | R174 P199 L200 E203 | R174-R176 PolarHBondContact O-N 2.74Å; R174-R176 VanDerWaalsContact O-N 3.1Å; R176-P199 HydrophobicContact CG-CG 3.86Å; R176-L200 HydrophobicContact CG-CD2 4.4Å; R176-E203 IonicContact CZ-OE1 2.62Å; R176-E203 IonicContact NE-OE1 3.57Å; R176-E203 PolarHBondContact NE-OE1 3.42Å; R176-E203 IonicContact NH2-OE1 3.34Å; R176-E203 PolarHBondContact NH2-OE1 3.04Å |
| 177 | S | 93.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76 | -44.6 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Y156 R174 V175 H179 R180 E181 | Y156-S177 PolarHBondContact OH-OG 3.06Å; R174-S177 PolarHBondContact O-N 3.37Å; V175-S177 PolarHBondContact O-N 3.02Å; S177-H179 VanDerWaalsContact C-N 3.27Å; S177-H179 PolarHBondContact O-N 3.14Å; S177-R180 WeakPolarHBondContact O-CB 3.29Å; S177-R180 PolarHBondContact O-N 3.21Å; S177-E181 PolarHBondContact O-N 3.17Å; S177-E181 VanDerWaalsContact O-N 3.17Å |
| 178 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | Y156 D159 I160 P170 R174 R180 E181 A182 L190 L194 | Y156-V178 HydrophobicContact CD1-CG2 4.12Å; Y156-V178 HydrophobicContact CG-CG2 4.47Å; D159-V178 HydrophobicContact CB-CG1 4.19Å; D159-V178 HydrophobicContact CB-CG2 3.73Å; I160-V178 HydrophobicContact CD1-CG1 3.84Å; P170-V178 HydrophobicContact CB-CB 4.22Å; P170-V178 HydrophobicContact CB-CG1 4.31Å; P170-V178 HydrophobicContact CB-CG2 3.83Å; P170-V178 HydrophobicContact CG-CB 3.95Å; P170-V178 HydrophobicContact CG-CG1 3.89Å; P170-V178 HydrophobicContact CG-CG2 4.13Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.36Å; V178-R180 VanDerWaalsContact C-N 3.35Å; V178-R180 PolarHBondContact O-N 3.46Å; V178-E181 PolarHBondContact O-N 3.38Å; V178-A182 VanDerWaalsContact O-CB 3.3Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.35Å; V178-L190 HydrophobicContact CG1-CD2 4.38Å; V178-L194 HydrophobicContact CG1-CD1 4.24Å |
| 179 | H | 94.5 | Very high | 93.3 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | 172 | 179.3 | -104 | 0 | 0 | 0 | 112.6 | V175 S177 A182 Q183 L194 L200 | V175-H179 WeakPolarHBondContact O-CB 3.5Å; V175-H179 PolarHBondContact O-N 3Å; S177-H179 VanDerWaalsContact C-N 3.27Å; S177-H179 PolarHBondContact O-N 3.14Å; H179-A182 PolarHBondContact O-N 3.47Å; H179-Q183 PolarHBondContact CE1-NE2 3.08Å; H179-Q183 WeakPolarHBondContact O-CG 3.42Å; H179-Q183 PolarHBondContact O-N 2.79Å; H179-L194 HydrophobicContact CB-CD1 3.96Å; H179-L200 HydrophobicContact CB-CD1 3.82Å |
| 180 | R | 94.3 | Very high | 93.3 | Very high | 169 Ų | 169 | 55.8 Ų | 55.8 | 64% | 0.638 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | 174.9 | -66.4 | 173.4 | -178.9 | 177.5 | -0 | 112 | S177 V178 Q183 Y184 | S177-R180 WeakPolarHBondContact O-CB 3.29Å; S177-R180 PolarHBondContact O-N 3.21Å; V178-R180 VanDerWaalsContact C-N 3.35Å; V178-R180 PolarHBondContact O-N 3.46Å; R180-Q183 PolarHBondContact O-N 2.87Å; R180-Y184 PolarHBondContact O-N 2.94Å; R180-Y184 VanDerWaalsContact O-N 3.08Å |
| 181 | E | 95.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.7 | -40 | 174.5 | -62.3 | -42 | 116.7 | 0 | 0 | 112 | R152 I160 S177 V178 Q183 Y184 Y185 | R152-E181 IonicContact CZ-OE1 2.68Å; R152-E181 IonicContact CZ-OE2 2.66Å; R152-E181 IonicContact NE-OE1 3.12Å; R152-E181 IonicContact NE-OE2 3.99Å; R152-E181 PolarHBondContact NE-OE2 2.96Å; R152-E181 VanDerWaalsContact NH2-CD 3.26Å; R152-E181 IonicContact NH2-OE1 2.81Å; R152-E181 PolarHBondContact NH2-OE1 3.27Å; R152-E181 IonicContact NH2-OE2 3.78Å; R152-E181 PolarHBondContact NH2-OE2 3.44Å; I160-E181 HydrophobicContact CD1-CB 4.07Å; I160-E181 HydrophobicContact CG1-CB 4.15Å; S177-E181 PolarHBondContact O-N 3.17Å; S177-E181 VanDerWaalsContact O-N 3.17Å; V178-E181 PolarHBondContact O-N 3.38Å; E181-Q183 VanDerWaalsContact C-N 3.26Å; E181-Q183 PolarHBondContact O-N 2.78Å; E181-Y184 WeakPolarHBondContact O-CB 3.17Å; E181-Y184 PolarHBondContact O-N 3.28Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; E181-Y185 HydrophobicContact CB-CD2 4.21Å; E181-Y185 HydrophobicContact CB-CE2 4.09Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.25Å |
| 182 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I160 V178 H179 A186 I187 L190 L191 L194 | I160-A182 HydrophobicContact CD1-CB 4.23Å; V178-A182 VanDerWaalsContact O-CB 3.3Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.35Å; H179-A182 PolarHBondContact O-N 3.47Å; A182-A186 WeakPolarHBondContact O-CA 3.47Å; A182-A186 PolarHBondContact O-N 3.06Å; A182-I187 PolarHBondContact O-N 3.45Å; A182-L190 HydrophobicContact CB-CB 4.41Å; A182-L190 HydrophobicContact CB-CD2 3.7Å; A182-L190 HydrophobicContact CB-CG 3.91Å; A182-L191 HydrophobicContact CB-CD2 3.66Å; A182-L191 HydrophobicContact CB-CG 4.11Å; A182-L194 HydrophobicContact CB-CD1 4.31Å |
| 183 | Q | 95.2 | Very high | 93.8 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 171.6 | -75.5 | -177.4 | -15.5 | 0 | 0 | 111.2 | H179 R180 E181 A186 L191 | H179-Q183 PolarHBondContact CE1-NE2 3.08Å; H179-Q183 WeakPolarHBondContact O-CG 3.42Å; H179-Q183 PolarHBondContact O-N 2.79Å; R180-Q183 PolarHBondContact O-N 2.87Å; E181-Q183 VanDerWaalsContact C-N 3.26Å; E181-Q183 PolarHBondContact O-N 2.78Å; Q183-A186 PolarHBondContact O-N 3.11Å; Q183-L191 HydrophobicContact CB-CD2 4.4Å; Q183-L191 HydrophobicContact CG-CD1 4.36Å; Q183-L191 HydrophobicContact CG-CD2 3.55Å |
| 184 | Y | 95.2 | Very high | 93.9 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 177.2 | 176.6 | -92.8 | 0 | 0 | 0 | 112 | M129 R152 R180 E181 A186 | M129-Y184 WeakPolarHBondContact CE-O 3.21Å; M129-Y184 HydrophobicContact SD-CD1 4.25Å; M129-Y184 HydrophobicContact SD-CE1 3.7Å; R152-Y184 HydrophobicContact CG-CD1 3.76Å; R152-Y184 HydrophobicContact CG-CE1 3.43Å; R152-Y184 VanDerWaalsContact CG-CE1 3.43Å; R152-Y184 HydrophobicContact CG-CG 4.44Å; R180-Y184 PolarHBondContact O-N 2.94Å; R180-Y184 VanDerWaalsContact O-N 3.08Å; E181-Y184 WeakPolarHBondContact O-CB 3.17Å; E181-Y184 PolarHBondContact O-N 3.28Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; Y184-A186 PolarHBondContact O-N 2.89Å |
| 185 | Y | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -0.8 | 179.2 | -63.5 | -62.2 | 0 | 0 | 0 | 114.1 | M129 L130 I150 R152 F157 I160 E181 I187 | M129-Y185 WeakPolarHBondContact CB-O 3.4Å; M129-Y185 PolarHBondContact N-O 2.85Å; L130-Y185 HydrophobicContact CD1-CD1 4.2Å; L130-Y185 HydrophobicContact CD1-CG 4.26Å; L130-Y185 HydrophobicContact CD2-CD1 3.72Å; L130-Y185 HydrophobicContact CD2-CE1 3.87Å; L130-Y185 HydrophobicContact CG-CD1 3.78Å; L130-Y185 HydrophobicContact CG-CE1 4.42Å; L130-Y185 HydrophobicContact CG-CG 4.24Å; I150-Y185 HydrophobicContact CG2-CE1 4.21Å; R152-Y185 WeakPolarHBondContact CB-OH 3.41Å; F157-Y185 AromaticContact CD2-CE2 3.64Å; F157-Y185 HydrophobicContact CD2-CE2 3.64Å; F157-Y185 AromaticContact CD2-CZ 3.61Å; F157-Y185 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y185 HydrophobicContact CE2-CE1 4.08Å; F157-Y185 AromaticContact CE2-CE2 3.85Å; F157-Y185 HydrophobicContact CE2-CE2 3.85Å; F157-Y185 AromaticContact CE2-CZ 3.58Å; I160-Y185 HydrophobicContact CG1-CD2 4.37Å; I160-Y185 HydrophobicContact CG2-CD2 4.33Å; E181-Y185 HydrophobicContact CB-CD2 4.21Å; E181-Y185 HydrophobicContact CB-CE2 4.09Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.25Å; Y185-I187 PolarHBondContact O-N 3.4Å |
| 186 | A | 95.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 46.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A182 Q183 Y184 G188 | A182-A186 WeakPolarHBondContact O-CA 3.47Å; A182-A186 PolarHBondContact O-N 3.06Å; Q183-A186 PolarHBondContact O-N 3.11Å; Y184-A186 PolarHBondContact O-N 2.89Å; A186-G188 PolarHBondContact O-N 3.28Å |
| 187 | I | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -90.5 | 80.1 | -178.4 | -50.5 | 176.3 | 0 | 0 | 0 | 109.7 | T128 L130 I160 F163 L164 A182 Y185 L190 L191 | T128-I187 HydrophobicContact CG2-CB 4.35Å; T128-I187 HydrophobicContact CG2-CG1 4Å; T128-I187 HydrophobicContact CG2-CG2 4.38Å; L130-I187 HydrophobicContact CD1-CD1 4.43Å; I160-I187 HydrophobicContact CD1-CD1 4.45Å; I160-I187 HydrophobicContact CG2-CD1 3.5Å; F163-I187 HydrophobicContact CD1-CG2 4.16Å; F163-I187 HydrophobicContact CE1-CG2 3.95Å; L164-I187 HydrophobicContact CD2-CD1 4.47Å; A182-I187 PolarHBondContact O-N 3.45Å; Y185-I187 PolarHBondContact O-N 3.4Å; I187-L190 HydrophobicContact CB-CB 4.07Å; I187-L190 HydrophobicContact CG2-CB 3.61Å; I187-L190 WeakPolarHBondContact O-CB 3.3Å; I187-L190 PolarHBondContact O-N 3.23Å; I187-L191 PolarHBondContact O-N 3.36Å | ||
| 188 | G | 94 | Very high | 92.8 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -45.7 | -55.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A186 L190 L191 D192 | A186-G188 PolarHBondContact O-N 3.28Å; G188-L190 PolarHBondContact O-N 2.95Å; G188-L190 VanDerWaalsContact O-N 3.14Å; G188-L191 WeakPolarHBondContact O-CB 3.33Å; G188-L191 PolarHBondContact O-N 3.27Å; G188-D192 PolarHBondContact O-N 3.06Å |
| 189 | P | 93.6 | Very high | 92.3 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -26.9 | -179.2 | -27.1 | 36.6 | 0 | 0 | 0 | 114.9 | Y125 F163 S193 | Y125-P189 HydrophobicContact CD1-CG 3.96Å; Y125-P189 HydrophobicContact CE1-CB 4.27Å; Y125-P189 HydrophobicContact CE1-CG 3.82Å; F163-P189 HydrophobicContact CE1-CB 4.34Å; F163-P189 HydrophobicContact CZ-CB 4.04Å; P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.35Å; P189-S193 PolarHBondContact O-OG 3.3Å |
| 190 | L | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.9 | -40.8 | 174.1 | 178.5 | 55.3 | 0 | 0 | 0 | 110.7 | I160 F163 L169 V178 A182 I187 G188 S193 L194 | I160-L190 HydrophobicContact CD1-CD2 3.6Å; F163-L190 HydrophobicContact CB-CD1 4.26Å; F163-L190 HydrophobicContact CB-CD2 4.26Å; F163-L190 HydrophobicContact CD1-CB 3.78Å; F163-L190 HydrophobicContact CD1-CD1 4.33Å; F163-L190 HydrophobicContact CD1-CD2 4.2Å; F163-L190 HydrophobicContact CD1-CG 4.32Å; F163-L190 HydrophobicContact CD2-CB 4.37Å; F163-L190 HydrophobicContact CD2-CD1 3.63Å; F163-L190 HydrophobicContact CD2-CG 4.46Å; F163-L190 HydrophobicContact CE1-CB 3.63Å; F163-L190 HydrophobicContact CE2-CB 4.22Å; F163-L190 HydrophobicContact CE2-CD1 4Å; F163-L190 HydrophobicContact CG-CB 4.15Å; F163-L190 HydrophobicContact CG-CD1 3.8Å; F163-L190 HydrophobicContact CG-CD2 4.16Å; F163-L190 HydrophobicContact CG-CG 4.25Å; F163-L190 HydrophobicContact CZ-CB 3.86Å; L169-L190 HydrophobicContact CD2-CD1 3.85Å; V178-L190 HydrophobicContact CG1-CD2 4.38Å; A182-L190 HydrophobicContact CB-CB 4.41Å; A182-L190 HydrophobicContact CB-CD2 3.7Å; A182-L190 HydrophobicContact CB-CG 3.91Å; I187-L190 HydrophobicContact CB-CB 4.07Å; I187-L190 HydrophobicContact CG2-CB 3.61Å; I187-L190 WeakPolarHBondContact O-CB 3.3Å; I187-L190 PolarHBondContact O-N 3.23Å; G188-L190 PolarHBondContact O-N 2.95Å; G188-L190 VanDerWaalsContact O-N 3.14Å; L190-S193 PolarHBondContact O-N 3.36Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CD2 4.23Å; L190-L194 HydrophobicContact CD1-CG 3.75Å; L190-L194 HydrophobicContact CD2-CD1 4.47Å; L190-L194 HydrophobicContact CG-CD1 3.76Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.05Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.29Å |
| 191 | L | 94.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 175.9 | -67.7 | 171.2 | 0 | 0 | 0 | 111.3 | A182 Q183 I187 G188 S193 L194 E195 | A182-L191 HydrophobicContact CB-CD2 3.66Å; A182-L191 HydrophobicContact CB-CG 4.11Å; Q183-L191 HydrophobicContact CB-CD2 4.4Å; Q183-L191 HydrophobicContact CG-CD1 4.36Å; Q183-L191 HydrophobicContact CG-CD2 3.55Å; I187-L191 PolarHBondContact O-N 3.36Å; G188-L191 WeakPolarHBondContact O-CB 3.33Å; G188-L191 PolarHBondContact O-N 3.27Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.46Å; L191-L194 PolarHBondContact O-N 2.7Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 WeakPolarHBondContact O-CG 3.36Å; L191-E195 PolarHBondContact O-N 3.01Å |
| 192 | D | 92.3 | Very high | 90.6 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.3 | -45.8 | 176.6 | -62.8 | -25.6 | 0 | 0 | 0 | 111.1 | G188 E195 | G188-D192 PolarHBondContact O-N 3.06Å; D192-E195 PolarHBondContact O-N 2.97Å |
| 193 | S | 92.3 | Very high | 90.1 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | P189 L190 L191 T197 | P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.35Å; P189-S193 PolarHBondContact O-OG 3.3Å; L190-S193 PolarHBondContact O-N 3.36Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.46Å; S193-T197 PolarHBondContact O-OG1 2.89Å |
| 194 | L | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.2 | -32.8 | 177.9 | -70.1 | 175.1 | 0 | 0 | 0 | 112 | P170 V175 V178 H179 A182 L190 L191 D196 T197 L200 | P170-L194 HydrophobicContact CG-CD2 3.58Å; V175-L194 HydrophobicContact CG1-CD2 4.25Å; V175-L194 HydrophobicContact CG2-CD2 4.33Å; V178-L194 HydrophobicContact CG1-CD1 4.24Å; H179-L194 HydrophobicContact CB-CD1 3.96Å; A182-L194 HydrophobicContact CB-CD1 4.31Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CD2 4.23Å; L190-L194 HydrophobicContact CD1-CG 3.75Å; L190-L194 HydrophobicContact CD2-CD1 4.47Å; L190-L194 HydrophobicContact CG-CD1 3.76Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.05Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.29Å; L191-L194 PolarHBondContact O-N 2.7Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L194-D196 PolarHBondContact O-N 2.74Å; L194-T197 WeakPolarHBondContact O-CA 3.42Å; L194-T197 WeakPolarHBondContact O-CB 3.37Å; L194-T197 PolarHBondContact O-N 2.98Å; L194-L200 HydrophobicContact CB-CD1 4.21Å |
| 195 | E | 87.8 | Confident | 89.3 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -30.7 | 177.5 | -87.3 | -165.9 | -155.4 | 0 | 0 | 113.2 | L191 D192 T201 K204 | L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 WeakPolarHBondContact O-CG 3.36Å; L191-E195 PolarHBondContact O-N 3.01Å; D192-E195 PolarHBondContact O-N 2.97Å; E195-T201 PolarHBondContact O-OG1 2.87Å; E195-K204 IonicContact OE2-NZ 2.79Å; E195-K204 PolarHBondContact OE2-NZ 3.39Å |
| 196 | D | 86.8 | Confident | 89 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 71% | 0.711 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.6 | 172.6 | -72.3 | -18.5 | 0 | 0 | 0 | 113.4 | L194 T201 | L194-D196 PolarHBondContact O-N 2.74Å; D196-T201 WeakPolarHBondContact CA-OG1 3.42Å; D196-T201 PolarHBondContact O-OG1 2.88Å |
| 197 | T | 86.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -104.9 | 139.9 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | V175 S193 L194 L200 T201 | V175-T197 HydrophobicContact CG2-CG2 3.84Å; S193-T197 PolarHBondContact O-OG1 2.89Å; L194-T197 WeakPolarHBondContact O-CA 3.42Å; L194-T197 WeakPolarHBondContact O-CB 3.37Å; L194-T197 PolarHBondContact O-N 2.98Å; T197-L200 PolarHBondContact O-N 2.74Å; T197-T201 PolarHBondContact N-OG1 2.91Å; T197-T201 PolarHBondContact O-N 3.11Å; T197-T201 PolarHBondContact O-OG1 3.35Å |
| 198 | Q | 84.5 | Confident | 88.4 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 136.8 | 173.4 | -67.4 | -165.4 | 21.5 | 0 | 0 | 111.8 | ||
| 199 | P | 83.8 | Confident | 88.2 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -11.3 | 17.8 | 34.2 | -37.1 | 0 | 0 | 0 | 116.4 | R176 T201 G202 E203 | R176-P199 HydrophobicContact CG-CG 3.86Å; P199-T201 PolarHBondContact O-N 2.62Å; P199-G202 WeakPolarHBondContact O-CA 3.4Å; P199-G202 PolarHBondContact O-N 3.3Å; P199-E203 PolarHBondContact O-N 3.5Å |
| 200 | L | 81.4 | Confident | 88 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | -169.3 | -63.5 | 174.3 | 0 | 0 | 0 | 113.3 | V175 R176 H179 L194 T197 G202 E203 K204 | V175-L200 HydrophobicContact CG1-CD1 3.73Å; V175-L200 HydrophobicContact CG1-CG 3.87Å; R176-L200 HydrophobicContact CG-CD2 4.4Å; H179-L200 HydrophobicContact CB-CD1 3.82Å; L194-L200 HydrophobicContact CB-CD1 4.21Å; T197-L200 PolarHBondContact O-N 2.74Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 3.15Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.32Å; L200-K204 PolarHBondContact O-N 3.13Å |
| 201 | T | 84 | Confident | 87.8 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 175 | -36.6 | 0 | 0 | 0 | 0 | 112.3 | E195 D196 T197 P199 K204 V205 | E195-T201 PolarHBondContact O-OG1 2.87Å; D196-T201 WeakPolarHBondContact CA-OG1 3.42Å; D196-T201 PolarHBondContact O-OG1 2.88Å; T197-T201 PolarHBondContact N-OG1 2.91Å; T197-T201 PolarHBondContact O-N 3.11Å; T197-T201 PolarHBondContact O-OG1 3.35Å; P199-T201 PolarHBondContact O-N 2.62Å; T201-K204 PolarHBondContact O-N 3.28Å; T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.43Å; T201-V205 VanDerWaalsContact O-N 3.13Å |
| 202 | G | 83.3 | Confident | 87.6 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P199 L200 V205 R206 | P199-G202 WeakPolarHBondContact O-CA 3.4Å; P199-G202 PolarHBondContact O-N 3.3Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 3.15Å; G202-V205 PolarHBondContact O-N 2.66Å; G202-R206 VanDerWaalsContact O-CB 3.27Å; G202-R206 WeakPolarHBondContact O-CB 3.5Å; G202-R206 PolarHBondContact O-N 3.26Å |
| 203 | E | 85.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.2 | -69.7 | 164.9 | -149.5 | 0 | 0 | 111.9 | R176 P199 L200 R206 Q207 | R176-E203 IonicContact CZ-OE1 2.62Å; R176-E203 IonicContact NE-OE1 3.57Å; R176-E203 PolarHBondContact NE-OE1 3.42Å; R176-E203 IonicContact NH2-OE1 3.34Å; R176-E203 PolarHBondContact NH2-OE1 3.04Å; P199-E203 PolarHBondContact O-N 3.5Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.32Å; E203-R206 PolarHBondContact O-N 2.72Å; E203-Q207 WeakPolarHBondContact O-CB 3.45Å; E203-Q207 PolarHBondContact O-N 3.44Å |
| 204 | K | 85.4 | Confident | 87 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 173.6 | -72.2 | 177.1 | 174.7 | -176.8 | 0 | 112.5 | E195 L200 T201 R206 Q207 A208 | E195-K204 IonicContact OE2-NZ 2.79Å; E195-K204 PolarHBondContact OE2-NZ 3.39Å; L200-K204 PolarHBondContact O-N 3.13Å; T201-K204 PolarHBondContact O-N 3.28Å; K204-R206 VanDerWaalsContact C-N 3.34Å; K204-Q207 PolarHBondContact O-N 2.91Å; K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 2.95Å |
| 205 | V | 87.7 | Confident | 86.8 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | T201 G202 A208 F209 | T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.43Å; T201-V205 VanDerWaalsContact O-N 3.13Å; G202-V205 PolarHBondContact O-N 2.66Å; V205-A208 PolarHBondContact O-N 3.02Å; V205-F209 PolarHBondContact O-N 3.49Å; V205-F209 VanDerWaalsContact O-N 3.15Å |
| 206 | R | 89.6 | Confident | 87 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.6 | 175.8 | 179.4 | 168.4 | -116.3 | -9.9 | 111.8 | G202 E203 K204 A208 F209 L210 D304 | G202-R206 VanDerWaalsContact O-CB 3.27Å; G202-R206 WeakPolarHBondContact O-CB 3.5Å; G202-R206 PolarHBondContact O-N 3.26Å; E203-R206 PolarHBondContact O-N 2.72Å; K204-R206 VanDerWaalsContact C-N 3.34Å; R206-A208 PolarHBondContact O-N 3.29Å; R206-F209 WeakPolarHBondContact O-CB 3.41Å; R206-F209 PolarHBondContact O-N 2.91Å; R206-L210 HydrophobicContact CG-CD1 4.21Å; R206-L210 HydrophobicContact CG-CG 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.27Å; R206-L210 PolarHBondContact O-N 2.9Å; R206-D304 IonicContact CZ-OD1 3.65Å; R206-D304 IonicContact NH1-OD1 2.69Å; R206-D304 IonicContact NH2-OD1 3.59Å; R206-D304 PolarHBondContact NH2-OD1 2.86Å; R206-D304 IonicContact NH2-OD2 3.85Å; R206-D304 PolarHBondContact NH2-OD2 3.49Å |
| 207 | Q | 88.8 | Confident | 87.3 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 179.9 | -172 | 58.9 | 51.4 | 0 | 0 | 111.2 | E203 K204 F209 L210 D211 | E203-Q207 WeakPolarHBondContact O-CB 3.45Å; E203-Q207 PolarHBondContact O-N 3.44Å; K204-Q207 PolarHBondContact O-N 2.91Å; Q207-F209 PolarHBondContact O-N 2.96Å; Q207-L210 PolarHBondContact O-N 2.99Å; Q207-D211 PolarHBondContact NE2-OD1 3.44Å; Q207-D211 VanDerWaalsContact O-CG 3.23Å; Q207-D211 PolarHBondContact O-N 3.43Å |
| 208 | A | 89.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -30.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K204 V205 R206 L212 | K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 2.95Å; V205-A208 PolarHBondContact O-N 3.02Å; R206-A208 PolarHBondContact O-N 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.36Å |
| 209 | F | 90.5 | Very high | 88 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -45.2 | 169.7 | 167.9 | -128.9 | 0 | 0 | 0 | 112.4 | V205 R206 Q207 D211 L212 L213 W288 A290 A292 D296 L297 | V205-F209 PolarHBondContact O-N 3.49Å; V205-F209 VanDerWaalsContact O-N 3.15Å; R206-F209 WeakPolarHBondContact O-CB 3.41Å; R206-F209 PolarHBondContact O-N 2.91Å; Q207-F209 PolarHBondContact O-N 2.96Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 2.81Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; F209-L212 VanDerWaalsContact O-N 3.11Å; F209-L213 HydrophobicContact CD2-CD1 4.4Å; F209-L213 HydrophobicContact CE1-CD1 4.03Å; F209-L213 HydrophobicContact CE2-CD1 3.85Å; F209-L213 HydrophobicContact CE2-CG 4.33Å; F209-L213 HydrophobicContact CZ-CD1 3.66Å; F209-W288 AromaticContact CE2-CD1 3.76Å; F209-W288 HydrophobicContact CE2-CG 4.39Å; F209-W288 AromaticContact CE2-NE1 3.68Å; F209-A290 HydrophobicContact CD2-CB 3.84Å; F209-A290 HydrophobicContact CE2-CB 4.04Å; F209-A292 HydrophobicContact CD1-CB 4.13Å; F209-A292 HydrophobicContact CD2-CB 3.71Å; F209-A292 HydrophobicContact CE1-CB 4.01Å; F209-A292 HydrophobicContact CE2-CB 3.61Å; F209-A292 HydrophobicContact CG-CB 3.97Å; F209-A292 HydrophobicContact CZ-CB 3.74Å; F209-D296 HydrophobicContact CE1-CB 4.3Å; F209-L297 HydrophobicContact CE1-CB 4.23Å; F209-L297 HydrophobicContact CE1-CD1 4.43Å; F209-L297 HydrophobicContact CZ-CB 4.09Å |
| 210 | L | 90.4 | Very high | 88.5 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -30.2 | 179.1 | -67.2 | -178.3 | 0 | 0 | 0 | 113.3 | R206 Q207 L212 L213 Y216 L297 C300 | R206-L210 HydrophobicContact CG-CD1 4.21Å; R206-L210 HydrophobicContact CG-CG 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.27Å; R206-L210 PolarHBondContact O-N 2.9Å; Q207-L210 PolarHBondContact O-N 2.99Å; L210-L212 PolarHBondContact O-N 2.82Å; L210-L213 HydrophobicContact CD2-CD1 3.93Å; L210-L213 PolarHBondContact O-N 2.95Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L210-Y216 HydrophobicContact CB-CD1 4.49Å; L210-Y216 HydrophobicContact CD1-CD1 4.31Å; L210-Y216 HydrophobicContact CD1-CE1 3.78Å; L210-Y216 HydrophobicContact CD2-CD1 3.96Å; L210-Y216 HydrophobicContact CD2-CD2 3.91Å; L210-Y216 HydrophobicContact CD2-CE1 3.69Å; L210-Y216 HydrophobicContact CD2-CE2 3.64Å; L210-Y216 HydrophobicContact CD2-CG 4.07Å; L210-Y216 HydrophobicContact CG-CD1 4.48Å; L210-Y216 HydrophobicContact CG-CE1 4.26Å; L210-L297 HydrophobicContact CD2-CD1 4.48Å; L210-C300 HydrophobicContact CD2-CB 4Å |
| 211 | D | 89.1 | Confident | 89.1 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.2 | 176 | -66.8 | -24 | 0 | 0 | 0 | 113.1 | Q207 F209 | Q207-D211 PolarHBondContact NE2-OD1 3.44Å; Q207-D211 VanDerWaalsContact O-CG 3.23Å; Q207-D211 PolarHBondContact O-N 3.43Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 2.81Å |
| 212 | L | 88.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 69.4 Ų | 69.4 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.9 | 172.3 | -61.3 | 169.4 | 0 | 0 | 0 | 113.1 | A208 F209 L210 A290 | A208-L212 WeakPolarHBondContact O-CG 3.36Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; F209-L212 VanDerWaalsContact O-N 3.11Å; L210-L212 PolarHBondContact O-N 2.82Å; L212-A290 HydrophobicContact CD1-CB 3.96Å |
| 213 | L | 87.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -95.5 | 114.5 | -175.4 | -82 | 157.2 | 0 | 0 | 0 | 111.6 | F209 L210 Y215 Y216 W288 L297 | F209-L213 HydrophobicContact CD2-CD1 4.4Å; F209-L213 HydrophobicContact CE1-CD1 4.03Å; F209-L213 HydrophobicContact CE2-CD1 3.85Å; F209-L213 HydrophobicContact CE2-CG 4.33Å; F209-L213 HydrophobicContact CZ-CD1 3.66Å; L210-L213 HydrophobicContact CD2-CD1 3.93Å; L210-L213 PolarHBondContact O-N 2.95Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L213-Y215 PolarHBondContact O-N 3.45Å; L213-Y216 HydrophobicContact CD1-CD2 4.24Å; L213-Y216 PolarHBondContact O-N 3.45Å; L213-W288 HydrophobicContact CD2-CB 3.72Å; L213-W288 HydrophobicContact CD2-CD2 3.79Å; L213-W288 HydrophobicContact CD2-CE3 3.61Å; L213-W288 HydrophobicContact CD2-CG 3.86Å; L213-W288 HydrophobicContact CD2-CZ3 4.43Å; L213-W288 HydrophobicContact CG-CB 4.28Å; L213-L297 HydrophobicContact CD1-CD1 3.5Å; L213-L297 HydrophobicContact CD1-CD2 4.1Å; L213-L297 HydrophobicContact CD1-CG 4.39Å; L213-L297 HydrophobicContact CD2-CD2 3.8Å |
| 214 | P | 85.7 | Confident | 90.5 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 135.3 | 178.8 | 27.3 | -34.3 | 0 | 0 | 0 | 110.8 | Y216 | P214-Y216 PolarHBondContact O-N 3.05Å; P214-Y216 VanDerWaalsContact O-N 3.12Å |
| 215 | Y | 87.8 | Confident | 90.9 | Very high | 169 Ų | 169 | 66.2 Ų | 66.2 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 22.7 | 176.7 | -47.6 | -73.6 | 0 | 0 | 0 | 115.4 | L213 K217 D218 N219 | L213-Y215 PolarHBondContact O-N 3.45Å; Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 2.81Å; Y215-D218 WeakPolarHBondContact CD1-OD2 3.36Å; Y215-D218 PolarHBondContact O-N 3.19Å; Y215-N219 VanDerWaalsContact O-CB 3.24Å; Y215-N219 WeakPolarHBondContact O-CB 3.46Å; Y215-N219 VanDerWaalsContact O-CG 3.31Å; Y215-N219 PolarHBondContact O-N 3.33Å; Y215-N219 PolarHBondContact O-ND2 2.8Å |
| 216 | Y | 91.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.9 | -47 | -176.5 | -179.8 | -99.8 | 0 | 0 | 0 | 113.3 | L210 L213 P214 L220 F285 L297 C300 I301 D304 | L210-Y216 HydrophobicContact CB-CD1 4.49Å; L210-Y216 HydrophobicContact CD1-CD1 4.31Å; L210-Y216 HydrophobicContact CD1-CE1 3.78Å; L210-Y216 HydrophobicContact CD2-CD1 3.96Å; L210-Y216 HydrophobicContact CD2-CD2 3.91Å; L210-Y216 HydrophobicContact CD2-CE1 3.69Å; L210-Y216 HydrophobicContact CD2-CE2 3.64Å; L210-Y216 HydrophobicContact CD2-CG 4.07Å; L210-Y216 HydrophobicContact CG-CD1 4.48Å; L210-Y216 HydrophobicContact CG-CE1 4.26Å; L213-Y216 HydrophobicContact CD1-CD2 4.24Å; L213-Y216 PolarHBondContact O-N 3.45Å; P214-Y216 PolarHBondContact O-N 3.05Å; P214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-L220 HydrophobicContact CE1-CD2 4.36Å; Y216-L220 WeakPolarHBondContact O-CB 3.36Å; Y216-L220 PolarHBondContact O-N 2.68Å; Y216-F285 AromaticContact CD2-CD1 3.97Å; Y216-F285 HydrophobicContact CD2-CD1 3.97Å; Y216-F285 AromaticContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CE2-CD1 4.45Å; Y216-F285 AromaticContact CE2-CE1 3.93Å; Y216-F285 HydrophobicContact CE2-CE1 3.93Å; Y216-L297 HydrophobicContact CD2-CD1 4.02Å; Y216-L297 HydrophobicContact CE2-CD1 3.59Å; Y216-C300 PolarHBondContact OH-O 3.36Å; Y216-I301 HydrophobicContact CE2-CG1 3.88Å; Y216-I301 PolarHBondContact OH-N 2.89Å; Y216-D304 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D304 WeakPolarHBondContact CE1-OD2 3.24Å; Y216-D304 VanDerWaalsContact CZ-OD2 3.32Å; Y216-D304 PolarHBondContact OH-OD2 2.87Å |
| 217 | K | 91.6 | Very high | 91.4 | Very high | 133 Ų | 133 | 60 Ų | 60 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.5 | -48.3 | -179.3 | -66.2 | 179.2 | -178.8 | 172.8 | 0 | 111.6 | Y215 N219 L220 E221 | Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 2.81Å; K217-N219 VanDerWaalsContact C-N 3.34Å; K217-N219 PolarHBondContact O-N 2.84Å; K217-L220 WeakPolarHBondContact O-CB 3.45Å; K217-L220 PolarHBondContact O-N 2.86Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 3.27Å |
| 218 | D | 92.5 | Very high | 91.6 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | -180 | -44.7 | -27.7 | 0 | 0 | 0 | 111.3 | Y215 E221 R222 | Y215-D218 WeakPolarHBondContact CD1-OD2 3.36Å; Y215-D218 PolarHBondContact O-N 3.19Å; D218-E221 PolarHBondContact O-N 3.23Å; D218-R222 VanDerWaalsContact O-CB 3.31Å; D218-R222 WeakPolarHBondContact O-CB 3.36Å; D218-R222 PolarHBondContact O-N 3.5Å |
| 219 | N | 93.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.4 | -79.2 | -35.1 | 0 | 0 | 0 | 111.8 | Y215 K217 R222 I223 V283 S284 F285 | Y215-N219 VanDerWaalsContact O-CB 3.24Å; Y215-N219 WeakPolarHBondContact O-CB 3.46Å; Y215-N219 VanDerWaalsContact O-CG 3.31Å; Y215-N219 PolarHBondContact O-N 3.33Å; Y215-N219 PolarHBondContact O-ND2 2.8Å; K217-N219 VanDerWaalsContact C-N 3.34Å; K217-N219 PolarHBondContact O-N 2.84Å; N219-R222 PolarHBondContact O-N 3.36Å; N219-I223 WeakPolarHBondContact O-CG1 3.35Å; N219-I223 PolarHBondContact O-N 3.24Å; N219-V283 HydrophobicContact CB-CG1 3.66Å; N219-S284 PolarHBondContact ND2-O 3.32Å; N219-F285 HydrophobicContact CB-CD1 4.26Å; N219-F285 HydrophobicContact CB-CE1 3.55Å; N219-F285 HydrophobicContact CB-CE2 4.39Å; N219-F285 HydrophobicContact CB-CZ 3.63Å |
| 220 | L | 94 | Very high | 92 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.2 | -180 | 68.7 | 0 | 0 | 0 | 112.3 | Y216 K217 I223 V224 I301 D304 L305 | Y216-L220 HydrophobicContact CE1-CD2 4.36Å; Y216-L220 WeakPolarHBondContact O-CB 3.36Å; Y216-L220 PolarHBondContact O-N 2.68Å; K217-L220 WeakPolarHBondContact O-CB 3.45Å; K217-L220 PolarHBondContact O-N 2.86Å; L220-I223 WeakPolarHBondContact O-CB 3.46Å; L220-I223 PolarHBondContact O-N 3.09Å; L220-V224 WeakPolarHBondContact O-CG2 3.36Å; L220-V224 PolarHBondContact O-N 2.97Å; L220-I301 HydrophobicContact CD1-CG2 4.36Å; L220-D304 HydrophobicContact CD1-CB 4.16Å; L220-D304 HydrophobicContact CD2-CB 3.59Å; L220-L305 HydrophobicContact CD1-CD2 3.94Å; L220-L305 HydrophobicContact CD1-CG 4.03Å |
| 221 | E | 93.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 65 Ų | 65 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 173 | -72.8 | 176.5 | -172.5 | 0 | 0 | 111.3 | K217 D218 I223 V224 E225 | K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 3.27Å; D218-E221 PolarHBondContact O-N 3.23Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 3.27Å; E221-V224 WeakPolarHBondContact O-CA 3.09Å; E221-V224 WeakPolarHBondContact O-CB 3.49Å; E221-V224 PolarHBondContact O-N 3.49Å; E221-E225 WeakPolarHBondContact O-CG 3.3Å; E221-E225 PolarHBondContact O-N 2.83Å |
| 222 | R | 94.5 | Very high | 92.2 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 175.1 | -173.9 | 173.4 | -178.9 | 79.8 | -2.3 | 113.3 | D218 N219 E225 I226 D282 V283 | D218-R222 VanDerWaalsContact O-CB 3.31Å; D218-R222 WeakPolarHBondContact O-CB 3.36Å; D218-R222 PolarHBondContact O-N 3.5Å; N219-R222 PolarHBondContact O-N 3.36Å; R222-E225 PolarHBondContact O-N 2.96Å; R222-I226 HydrophobicContact CG-CD1 3.78Å; R222-I226 HydrophobicContact CG-CG1 4.39Å; R222-I226 WeakPolarHBondContact O-CB 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.27Å; R222-I226 PolarHBondContact O-N 2.85Å; R222-D282 PolarHBondContact NE-O 2.88Å; R222-V283 HydrophobicContact CB-CG2 4.27Å; R222-V283 HydrophobicContact CG-CG2 3.93Å |
| 223 | I | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.4 | -51 | 170.4 | -71.1 | 169.1 | 0 | 0 | 0 | 110.2 | N219 L220 E221 E225 A227 L241 I243 V283 F285 I301 L305 I339 | N219-I223 WeakPolarHBondContact O-CG1 3.35Å; N219-I223 PolarHBondContact O-N 3.24Å; L220-I223 WeakPolarHBondContact O-CB 3.46Å; L220-I223 PolarHBondContact O-N 3.09Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 3.27Å; I223-E225 PolarHBondContact O-N 2.97Å; I223-A227 WeakPolarHBondContact O-CB 3.28Å; I223-A227 PolarHBondContact O-N 3.21Å; I223-L241 HydrophobicContact CG2-CD2 4.25Å; I223-I243 HydrophobicContact CD1-CD1 3.51Å; I223-I243 HydrophobicContact CG1-CD1 3.75Å; I223-V283 HydrophobicContact CG1-CB 4.26Å; I223-V283 HydrophobicContact CG1-CG1 4.28Å; I223-V283 HydrophobicContact CG1-CG2 3.89Å; I223-F285 HydrophobicContact CD1-CE2 3.9Å; I223-F285 HydrophobicContact CD1-CZ 3.84Å; I223-I301 HydrophobicContact CD1-CG2 4.01Å; I223-L305 HydrophobicContact CG2-CD1 4.31Å; I223-L305 HydrophobicContact CG2-CD2 4.38Å; I223-I339 HydrophobicContact CG2-CD1 3.27Å |
| 224 | V | 93.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 77.3 Ų | 77.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | -177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L220 E221 A227 K228 L305 I310 W341 | L220-V224 WeakPolarHBondContact O-CG2 3.36Å; L220-V224 PolarHBondContact O-N 2.97Å; E221-V224 WeakPolarHBondContact O-CA 3.09Å; E221-V224 WeakPolarHBondContact O-CB 3.49Å; E221-V224 PolarHBondContact O-N 3.49Å; V224-A227 PolarHBondContact O-N 3.29Å; V224-K228 HydrophobicContact CG1-CD 4.26Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.39Å; V224-K228 PolarHBondContact O-N 2.97Å; V224-L305 HydrophobicContact CG2-CD2 3.63Å; V224-I310 HydrophobicContact CG1-CD1 4.19Å; V224-I310 HydrophobicContact CG2-CD1 3.91Å; V224-W341 HydrophobicContact CG1-CH2 4.18Å |
| 225 | E | 94.2 | Very high | 92.9 | Very high | 113 Ų | 113 | 83.8 Ų | 83.8 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -51.9 | 177.3 | -70.5 | -177.9 | 162.2 | 0 | 0 | 112.7 | E221 R222 I223 A227 K228 L229 | E221-E225 WeakPolarHBondContact O-CG 3.3Å; E221-E225 PolarHBondContact O-N 2.83Å; R222-E225 PolarHBondContact O-N 2.96Å; I223-E225 PolarHBondContact O-N 2.97Å; E225-A227 VanDerWaalsContact C-N 3.26Å; E225-A227 PolarHBondContact O-N 3.39Å; E225-K228 PolarHBondContact O-N 3.39Å; E225-L229 WeakPolarHBondContact O-CB 3.44Å; E225-L229 WeakPolarHBondContact O-CG 3.46Å; E225-L229 PolarHBondContact O-N 2.73Å |
| 226 | I | 93.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 179.5 | -66.8 | 172.1 | 0 | 0 | 0 | 110.2 | R222 R230 L241 D282 V283 | R222-I226 HydrophobicContact CG-CD1 3.78Å; R222-I226 HydrophobicContact CG-CG1 4.39Å; R222-I226 WeakPolarHBondContact O-CB 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.27Å; R222-I226 PolarHBondContact O-N 2.85Å; I226-R230 HydrophobicContact CG2-CG 4.45Å; I226-R230 WeakPolarHBondContact O-CB 3.48Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.2Å; I226-R230 PolarHBondContact O-N 3.4Å; I226-L241 HydrophobicContact CB-CD2 3.83Å; I226-L241 HydrophobicContact CG2-CD2 3.66Å; I226-L241 HydrophobicContact CG2-CG 3.97Å; I226-D282 HydrophobicContact CD1-CB 4.02Å; I226-V283 HydrophobicContact CD1-CG2 4.44Å |
| 227 | A | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I223 V224 E225 A231 A239 L241 I339 W341 | I223-A227 WeakPolarHBondContact O-CB 3.28Å; I223-A227 PolarHBondContact O-N 3.21Å; V224-A227 PolarHBondContact O-N 3.29Å; E225-A227 VanDerWaalsContact C-N 3.26Å; E225-A227 PolarHBondContact O-N 3.39Å; A227-A231 VanDerWaalsContact O-CB 3.27Å; A227-A231 WeakPolarHBondContact O-CB 3.32Å; A227-A231 PolarHBondContact O-N 3.15Å; A227-A239 HydrophobicContact CB-CB 4.2Å; A227-A239 WeakPolarHBondContact O-CB 3.4Å; A227-L241 HydrophobicContact CB-CD1 3.87Å; A227-I339 HydrophobicContact CB-CB 4.1Å; A227-I339 HydrophobicContact CB-CD1 3.96Å; A227-I339 HydrophobicContact CB-CG2 3.83Å; A227-W341 HydrophobicContact CB-CZ2 3.77Å; A227-W341 PolarHBondContact O-NE1 3.21Å |
| 228 | K | 92.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 80.9 Ų | 80.9 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -52.2 | 175.7 | -75.3 | 176.5 | -178.1 | 175.5 | 0 | 110.8 | V224 E225 R230 A231 M232 W341 | V224-K228 HydrophobicContact CG1-CD 4.26Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.39Å; V224-K228 PolarHBondContact O-N 2.97Å; E225-K228 PolarHBondContact O-N 3.39Å; K228-R230 PolarHBondContact O-N 3.18Å; K228-A231 PolarHBondContact O-N 3.46Å; K228-M232 WeakPolarHBondContact O-CB 3.24Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 2.97Å; K228-W341 HydrophobicContact CB-CZ2 4.18Å; K228-W341 HydrophobicContact CD-CH2 4.03Å; K228-W341 VanDerWaalsContact CE-CH2 3.5Å; K228-W341 HydrophobicContact CG-CH2 3.3Å; K228-W341 HydrophobicContact CG-CZ2 3.34Å; K228-W341 HydrophobicContact CG-CZ3 4.06Å |
| 229 | L | 93.7 | Very high | 93.2 | Very high | 99 Ų | 99 | 76.6 Ų | 76.6 | 52% | 0.518 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | -178.5 | -70.3 | 167.5 | 0 | 0 | 0 | 111.6 | E225 Q233 | E225-L229 WeakPolarHBondContact O-CB 3.44Å; E225-L229 WeakPolarHBondContact O-CG 3.46Å; E225-L229 PolarHBondContact O-N 2.73Å; L229-Q233 VanDerWaalsContact O-CB 3.32Å; L229-Q233 WeakPolarHBondContact O-CB 3.4Å; L229-Q233 WeakPolarHBondContact O-CG 3.33Å; L229-Q233 PolarHBondContact O-N 3.31Å |
| 230 | R | 94.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 79.5 Ų | 79.5 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.4 | -74.6 | 179 | 177.2 | 167.9 | 9.5 | 113.2 | I226 K228 R234 A239 K240 D282 | I226-R230 HydrophobicContact CG2-CG 4.45Å; I226-R230 WeakPolarHBondContact O-CB 3.48Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.2Å; I226-R230 PolarHBondContact O-N 3.4Å; K228-R230 PolarHBondContact O-N 3.18Å; R230-R234 WeakPolarHBondContact O-CB 3.32Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å; R230-R234 PolarHBondContact O-N 2.98Å; R230-A239 HydrophobicContact CB-CB 3.85Å; R230-K240 PolarHBondContact NH1-O 2.62Å; R230-D282 IonicContact CZ-OD1 2.7Å; R230-D282 IonicContact CZ-OD2 2.64Å; R230-D282 VanDerWaalsContact NH1-CG 3.31Å; R230-D282 IonicContact NH1-OD1 2.74Å; R230-D282 PolarHBondContact NH1-OD1 3.46Å; R230-D282 IonicContact NH1-OD2 3.81Å; R230-D282 PolarHBondContact NH1-OD2 2.95Å; R230-D282 IonicContact NH2-OD1 3.14Å; R230-D282 PolarHBondContact NH2-OD1 3.41Å; R230-D282 IonicContact NH2-OD2 3.34Å |
| 231 | A | 92.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 79.4 Ų | 79.4 | 5% | 0.05 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A227 K228 K235 A236 A239 | A227-A231 VanDerWaalsContact O-CB 3.27Å; A227-A231 WeakPolarHBondContact O-CB 3.32Å; A227-A231 PolarHBondContact O-N 3.15Å; K228-A231 PolarHBondContact O-N 3.46Å; A231-K235 WeakPolarHBondContact O-CA 3.36Å; A231-K235 PolarHBondContact O-N 2.79Å; A231-A236 PolarHBondContact O-N 3.41Å; A231-A239 HydrophobicContact CB-CB 4.48Å |
| 232 | M | 91.6 | Very high | 93.3 | Very high | 146 Ų | 146 | 78.8 Ų | 78.8 | 72% | 0.719 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -48.7 | 177 | -69 | 176.4 | 73.2 | 0 | 0 | 112.2 | K228 R234 K235 | K228-M232 WeakPolarHBondContact O-CB 3.24Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 2.97Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 2.97Å; M232-K235 PolarHBondContact O-N 3.37Å |
| 233 | Q | 93.3 | Very high | 93.3 | Very high | 149 Ų | 149 | 72.7 Ų | 72.7 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179.5 | -75.9 | 171 | -1.5 | 0 | 0 | 112.6 | L229 | L229-Q233 VanDerWaalsContact O-CB 3.32Å; L229-Q233 WeakPolarHBondContact O-CB 3.4Å; L229-Q233 WeakPolarHBondContact O-CG 3.33Å; L229-Q233 PolarHBondContact O-N 3.31Å |
| 234 | R | 92.2 | Very high | 93.2 | Very high | 176 Ų | 176 | 72.7 Ų | 72.7 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -88.2 | -3 | -179.4 | -63.5 | -177.7 | 179.8 | -173.1 | 0.1 | 113.8 | R230 M232 A236 | R230-R234 WeakPolarHBondContact O-CB 3.32Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å; R230-R234 PolarHBondContact O-N 2.98Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 2.97Å; R234-A236 HydrophobicContact CB-CB 4.03Å; R234-A236 PolarHBondContact O-N 2.95Å |
| 235 | K | 91.4 | Very high | 93.1 | Very high | 197 Ų | 197 | 72 Ų | 72 | 86% | 0.857 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.8 | -171.4 | -57 | -179.8 | -179.2 | 179.2 | 0 | 112.2 | A231 M232 | A231-K235 WeakPolarHBondContact O-CA 3.36Å; A231-K235 PolarHBondContact O-N 2.79Å; M232-K235 PolarHBondContact O-N 3.37Å |
| 236 | A | 91.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -112.5 | 145.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A231 R234 F238 | A231-A236 PolarHBondContact O-N 3.41Å; R234-A236 HydrophobicContact CB-CB 4.03Å; R234-A236 PolarHBondContact O-N 2.95Å; A236-F238 WeakPolarHBondContact CB-O 3.47Å; A236-F238 PolarHBondContact O-N 3.12Å | ||
| 237 | R | 90.4 | Very high | 92.3 | Very high | 140 Ų | 140 | 69.7 Ų | 69.7 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -59.5 | -25.4 | 172.9 | -173.3 | -172.8 | 176.6 | 163.1 | 16.1 | 112.9 | T340 W341 W342 | R237-T340 HydrophobicContact CG-CG2 4.06Å; R237-W341 PolarHBondContact O-N 3.4Å; R237-W341 VanDerWaalsContact O-N 3.15Å; R237-W342 HydrophobicContact CB-CZ2 4.34Å; R237-W342 WeakPolarHBondContact CG-O 3.45Å; R237-W342 PolarHBondContact NE-O 3.14Å; R237-W342 PolarHBondContact NH2-O 2.94Å; R237-W342 PolarHBondContact NH2-OXT 3.5Å |
| 238 | F | 93 | Very high | 91.6 | Very high | 93 Ų | 93 | 76.3 Ų | 76.3 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.5 | -175.4 | 70.4 | -87 | 0 | 0 | 0 | 113 | A236 K240 K338 I339 | A236-F238 WeakPolarHBondContact CB-O 3.47Å; A236-F238 PolarHBondContact O-N 3.12Å; F238-K240 HydrophobicContact CD2-CG 4.38Å; F238-K240 HydrophobicContact CE2-CD 4.49Å; F238-K240 HydrophobicContact CE2-CG 4.32Å; F238-K338 HydrophobicContact CB-CG 4.44Å; F238-K338 HydrophobicContact CD2-CG 4.24Å; F238-I339 CarbonylContact C-O 3.56Å; F238-I339 WeakPolarHBondContact CA-O 3.4Å; F238-I339 WeakPolarHBondContact CB-O 3.48Å |
| 239 | A | 95.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 76.3 Ų | 76.3 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | A227 R230 A231 L241 K338 I339 | A227-A239 HydrophobicContact CB-CB 4.2Å; A227-A239 WeakPolarHBondContact O-CB 3.4Å; R230-A239 HydrophobicContact CB-CB 3.85Å; A231-A239 HydrophobicContact CB-CB 4.48Å; A239-L241 HydrophobicContact CB-CD1 4.2Å; A239-K338 WeakPolarHBondContact O-CA 3.35Å; A239-I339 PolarHBondContact N-O 3.04Å; A239-I339 PolarHBondContact O-N 2.98Å |
| 240 | K | 94.5 | Very high | 88.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.2 | 171.6 | -74.2 | 177.5 | 158.9 | -137.1 | 0 | 109.6 | R230 F238 E336 F337 | R230-K240 PolarHBondContact NH1-O 2.62Å; F238-K240 HydrophobicContact CD2-CG 4.38Å; F238-K240 HydrophobicContact CE2-CD 4.49Å; F238-K240 HydrophobicContact CE2-CG 4.32Å; K240-E336 HydrophobicContact CB-CG 4.37Å; K240-E336 WeakPolarHBondContact CD-OE2 3.35Å; K240-E336 WeakPolarHBondContact CE-OE1 3.31Å; K240-E336 HydrophobicContact CG-CG 4.43Å; K240-E336 IonicContact NZ-OE1 3.39Å; K240-E336 PolarHBondContact NZ-OE1 2.96Å; K240-E336 IonicContact NZ-OE2 2.72Å; K240-E336 PolarHBondContact NZ-OE2 3.22Å; K240-E336 VanDerWaalsContact NZ-OE2 3.12Å; K240-F337 CarbonylContact C-O 3.5Å; K240-F337 WeakPolarHBondContact CA-O 3.28Å |
| 241 | L | 95.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.9 | 176.4 | -69.2 | 83.1 | 0 | 0 | 0 | 109.9 | I223 I226 A227 A239 I243 D282 E336 F337 I339 | I223-L241 HydrophobicContact CG2-CD2 4.25Å; I226-L241 HydrophobicContact CB-CD2 3.83Å; I226-L241 HydrophobicContact CG2-CD2 3.66Å; I226-L241 HydrophobicContact CG2-CG 3.97Å; A227-L241 HydrophobicContact CB-CD1 3.87Å; A239-L241 HydrophobicContact CB-CD1 4.2Å; L241-I243 HydrophobicContact CB-CG1 4.47Å; L241-D282 WeakPolarHBondContact CA-OD2 3.4Å; L241-D282 WeakPolarHBondContact CB-OD2 3.47Å; L241-D282 HydrophobicContact CD2-CB 4.45Å; L241-E336 CarbonylContact O-C 3.44Å; L241-E336 VanDerWaalsContact O-CA 3.32Å; L241-E336 WeakPolarHBondContact O-CA 3.49Å; L241-F337 PolarHBondContact N-O 2.92Å; L241-F337 PolarHBondContact O-N 3.36Å; L241-I339 HydrophobicContact CD1-CD1 4.11Å; L241-I339 HydrophobicContact CD1-CG1 4.5Å |
| 242 | K | 94.4 | Very high | 84.6 | Confident | 87 Ų | 87 | 77 Ų | 77 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.5 | 168.2 | -66.5 | -178.7 | -177.4 | 176.6 | 0 | 108.3 | V281 D282 I317 I334 Y335 | K242-V281 HydrophobicContact CB-CB 4.29Å; K242-V281 HydrophobicContact CB-CG1 4.17Å; K242-V281 WeakPolarHBondContact O-CB 3.38Å; K242-D282 PolarHBondContact N-OD2 2.88Å; K242-D282 WeakPolarHBondContact O-CB 3.16Å; K242-D282 PolarHBondContact O-N 2.82Å; K242-I317 HydrophobicContact CD-CD1 4.45Å; K242-I317 HydrophobicContact CG-CD1 4.2Å; K242-I334 HydrophobicContact CB-CG2 4.09Å; K242-Y335 CarbonylContact C-O 3.56Å; K242-Y335 WeakPolarHBondContact CA-O 3.44Å |
| 243 | I | 94.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.7 | 178.9 | -54.5 | -168.8 | 0 | 0 | 0 | 108.7 | I223 L241 V245 V283 F285 Y335 F337 | I223-I243 HydrophobicContact CD1-CD1 3.51Å; I223-I243 HydrophobicContact CG1-CD1 3.75Å; L241-I243 HydrophobicContact CB-CG1 4.47Å; I243-V245 HydrophobicContact CG2-CG2 3.9Å; I243-V283 WeakPolarHBondContact CA-O 3.36Å; I243-F285 HydrophobicContact CG2-CD2 3.66Å; I243-F285 HydrophobicContact CG2-CE2 3.71Å; I243-Y335 PolarHBondContact N-O 2.83Å; I243-Y335 PolarHBondContact O-N 3.32Å; I243-F337 HydrophobicContact CB-CD2 3.99Å; I243-F337 HydrophobicContact CB-CE2 4.14Å; I243-F337 HydrophobicContact CD1-CB 4.12Å; I243-F337 HydrophobicContact CD1-CD1 4.2Å; I243-F337 HydrophobicContact CD1-CD2 3.54Å; I243-F337 HydrophobicContact CD1-CE2 3.91Å; I243-F337 HydrophobicContact CD1-CG 3.69Å; I243-F337 HydrophobicContact CD1-CZ 4.38Å; I243-F337 HydrophobicContact CG1-CB 4.5Å; I243-F337 HydrophobicContact CG1-CD2 3.8Å; I243-F337 HydrophobicContact CG1-CE2 4.32Å; I243-F337 HydrophobicContact CG1-CG 4.28Å |
| 244 | C | 91.6 | Very high | 80.2 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130 | 171.6 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | V281 V283 S284 F285 R332 P333 | C244-V281 HydrophobicContact CB-CB 4.28Å; C244-V281 HydrophobicContact CB-CG1 3.95Å; C244-V281 HydrophobicContact CB-CG2 3.74Å; C244-V283 PolarHBondContact N-O 2.55Å; C244-S284 CarbonylContact O-C 3.5Å; C244-S284 WeakPolarHBondContact O-CA 3.28Å; C244-F285 PolarHBondContact O-N 3.26Å; C244-R332 VanDerWaalsContact SG-CB 3.52Å; C244-P333 WeakPolarHBondContact CA-O 3.33Å |
| 245 | V | 91.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 109 | I243 F285 W288 V294 L297 L298 P333 Y335 | I243-V245 HydrophobicContact CG2-CG2 3.9Å; V245-F285 HydrophobicContact CG1-CB 4.39Å; V245-F285 HydrophobicContact CG2-CD2 4.31Å; V245-W288 HydrophobicContact CG1-CH2 3.81Å; V245-W288 HydrophobicContact CG1-CZ3 3.95Å; V245-V294 HydrophobicContact CB-CG1 4.1Å; V245-V294 HydrophobicContact CG1-CG1 3.78Å; V245-L297 HydrophobicContact CG1-CD2 3.86Å; V245-L297 HydrophobicContact CG1-CG 4.4Å; V245-L298 HydrophobicContact CG2-CD2 4.11Å; V245-P333 PolarHBondContact N-O 2.94Å; V245-Y335 HydrophobicContact CB-CD2 4.12Å; V245-Y335 HydrophobicContact CB-CE2 4.06Å; V245-Y335 HydrophobicContact CG2-CD2 4.04Å; V245-Y335 HydrophobicContact CG2-CE2 4.45Å |
| 246 | Y | 87.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | trans | -146.1 | 129.3 | -175.3 | 62 | -82.4 | 0 | 0 | 0 | 111.5 | E248 F285 G286 P287 W288 R332 | Y246-E248 VanDerWaalsContact CD2-O 3.32Å; Y246-E248 WeakPolarHBondContact CD2-O 3.42Å; Y246-F285 WeakPolarHBondContact CD1-O 3.47Å; Y246-F285 PolarHBondContact N-O 2.76Å; Y246-G286 VanDerWaalsContact O-CA 3.27Å; Y246-G286 WeakPolarHBondContact O-CA 3.36Å; Y246-G286 PolarHBondContact OH-O 3.4Å; Y246-G286 VanDerWaalsContact OH-O 3.06Å; Y246-P287 HydrophobicContact CE2-CB 4.27Å; Y246-W288 VanDerWaalsContact C-CZ3 3.44Å; Y246-W288 WeakPolarHBondContact O-CZ3 3.19Å; Y246-R332 HydrophobicContact CD1-CG 4.25Å; Y246-R332 HydrophobicContact CG-CG 4.04Å | ||
| 247 | K | 84.5 | Confident | 73.2 | Confident | 62 Ų | 62 | 79 Ų | 79 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -74.6 | -50.1 | 179.4 | -176.8 | 165.9 | -178.8 | 161.1 | 0 | 111.9 | P287 W288 A290 V291 A292 | K247-P287 WeakPolarHBondContact O-CA 3.44Å; K247-P287 VanDerWaalsContact O-CB 3.3Å; K247-P287 WeakPolarHBondContact O-CB 3.48Å; K247-W288 HydrophobicContact CB-CD2 4.44Å; K247-W288 HydrophobicContact CB-CH2 4.11Å; K247-W288 HydrophobicContact CB-CZ2 3.82Å; K247-W288 HydrophobicContact CD-CZ2 4.38Å; K247-W288 HydrophobicContact CG-CD2 4.35Å; K247-W288 HydrophobicContact CG-CZ2 4.11Å; K247-W288 PolarHBondContact O-N 3.17Å; K247-A290 WeakPolarHBondContact CE-O 3.46Å; K247-A290 PolarHBondContact NZ-O 2.89Å; K247-V291 PolarHBondContact NZ-O 2.94Å; K247-A292 PolarHBondContact NZ-O 2.81Å |
| 248 | E | 78.8 | Confident | 71 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -98.6 | 139.5 | -177.1 | -65.6 | 173.2 | -168 | 0 | 0 | 111.5 | Y246 M250 | Y246-E248 VanDerWaalsContact CD2-O 3.32Å; Y246-E248 WeakPolarHBondContact CD2-O 3.42Å; E248-M250 PolarHBondContact O-N 3.26Å; E248-M250 VanDerWaalsContact O-N 3.07Å |
| 249 | E | 63.7 | Low | 68.5 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -55.5 | -30.4 | -177.7 | -166.4 | 179 | -141.4 | 0 | 0 | 113 | R267 P287 R332 | E249-R267 IonicContact OE2-NH1 3.5Å; E249-P287 HydrophobicContact CB-CB 4.25Å; E249-P287 HydrophobicContact CB-CG 4.22Å; E249-P287 HydrophobicContact CG-CG 4.47Å; E249-R332 PolarHBondContact O-NH2 3.49Å |
| 250 | M | 58.7 | Low | 65.8 | Low | 68 Ų | 68 | 90 Ų | 90 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | trans | -144 | 94 | -171.9 | -84.3 | -179.2 | 162 | 0 | 0 | 114 | E248 I252 R267 F275 | E248-M250 PolarHBondContact O-N 3.26Å; E248-M250 VanDerWaalsContact O-N 3.07Å; M250-I252 HydrophobicContact CB-CD1 4.25Å; M250-I252 HydrophobicContact CB-CG1 4.07Å; M250-I252 HydrophobicContact CE-CD1 4.17Å; M250-I252 HydrophobicContact CG-CD1 4.17Å; M250-I252 HydrophobicContact CG-CG1 4.22Å; M250-I252 PolarHBondContact O-N 3.46Å; M250-I252 VanDerWaalsContact O-N 3.11Å; M250-I252 HydrophobicContact SD-CD1 3.6Å; M250-I252 VanDerWaalsContact SD-CD1 3.6Å; M250-I252 HydrophobicContact SD-CG1 4.3Å; M250-R267 PolarHBondContact SD-NH2 3.35Å; M250-F275 HydrophobicContact CE-CB 4.27Å; M250-F275 HydrophobicContact CE-CD1 4.33Å; M250-F275 HydrophobicContact CE-CG 4.24Å | ||
| 251 | P | 51.4 | Low | 63 | Low | 51 Ų | 51 | 94.1 Ų | 94.1 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | trans | -80.1 | 73.8 | 153.7 | 33.3 | -32 | 0 | 0 | 0 | 109.1 | T253 K331 R332 | P251-T253 PolarHBondContact O-N 3.02Å; P251-K331 HydrophobicContact CG-CB 4.4Å; P251-R332 HydrophobicContact CG-CG 4.42Å | ||
| 252 | I | 52.3 | Low | 60.4 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 33% | 0.328 | 49% | 0.494 | S | S | . | . | trans | -74.1 | 105.6 | 171.3 | -64.8 | 167 | 0 | 0 | 0 | 107.7 | M250 P254 Y328 | M250-I252 HydrophobicContact CB-CD1 4.25Å; M250-I252 HydrophobicContact CB-CG1 4.07Å; M250-I252 HydrophobicContact CE-CD1 4.17Å; M250-I252 HydrophobicContact CG-CD1 4.17Å; M250-I252 HydrophobicContact CG-CG1 4.22Å; M250-I252 PolarHBondContact O-N 3.46Å; M250-I252 VanDerWaalsContact O-N 3.11Å; M250-I252 HydrophobicContact SD-CD1 3.6Å; M250-I252 VanDerWaalsContact SD-CD1 3.6Å; M250-I252 HydrophobicContact SD-CG1 4.3Å; I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.38Å; I252-Y328 HydrophobicContact CG2-CD1 3.32Å; I252-Y328 HydrophobicContact CG2-CE1 3.39Å; I252-Y328 HydrophobicContact CG2-CG 4.24Å | ||
| 253 | T | 46.3 | Very low | 57.8 | Low | 57 Ų | 57 | 102.7 Ų | 102.7 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | trans | -80.5 | 114.6 | 163.7 | 55.7 | 0 | 0 | 0 | 0 | 108.8 | P251 Y255 K331 | P251-T253 PolarHBondContact O-N 3.02Å; T253-Y255 PolarHBondContact O-N 3.34Å; T253-K331 HydrophobicContact CG2-CG 3.98Å | ||
| 254 | P | 44.7 | Very low | 55.2 | Low | 104 Ų | 104 | 113 Ų | 113 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | trans | -72.1 | 109 | 166 | -1.7 | 20 | 0 | 0 | 0 | 106.7 | I252 E256 | I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.38Å; P254-E256 PolarHBondContact O-N 3.27Å | ||
| 255 | Y | 42.3 | Very low | 52.8 | Low | 176 Ų | 176 | 120 Ų | 120 | 69% | 0.69 | 59% | 0.585 | S | S | * | * | trans | -74.2 | 98.3 | 170.9 | -137.6 | -85.2 | 0 | 0 | 0 | 107.8 | T253 | T253-Y255 PolarHBondContact O-N 3.34Š| ||
| 256 | E | 45.8 | Very low | 50.4 | Low | 166 Ų | 166 | 127.4 Ų | 127.4 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 27.2 | 94.6 | 169.5 | -62.7 | -172.7 | 147.6 | 0 | 0 | 117.7 | P254 | P254-E256 PolarHBondContact O-N 3.27Š|
| 257 | R | 41.5 | Very low | 48.3 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | trans | -147 | 101.9 | 136.6 | -111.4 | 173.1 | -168.3 | 163.2 | 5.3 | 110.3 | ||||
| 258 | P | 43 | Very low | 46.4 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | trans | -63.7 | 164.6 | 161.2 | 30.5 | -33.5 | 0 | 0 | 0 | 109.1 | ||||
| 259 | L | 40.8 | Very low | 45 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | trans | 84.4 | 47.5 | -177.1 | -46.5 | 175 | 0 | 0 | 0 | 117 | ||||
| 260 | F | 38.5 | Very low | 44 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | trans | -154.2 | 73.9 | 140.9 | -97.3 | -64.4 | 0 | 0 | 0 | 112.3 | S262 | F260-S262 VanDerWaalsContact C-N 3.3Å; F260-S262 PolarHBondContact O-N 3.02Å | ||
| 261 | N | 36.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 94% | 0.936 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 86.4 | 161.1 | -87.5 | -3.2 | 0 | 0 | 0 | 109.3 | ||
| 262 | S | 40.5 | Very low | 43.4 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.4 | 2.2 | 159.9 | -113.9 | 0 | 0 | 0 | 0 | 117.5 | F260 R264 | F260-S262 VanDerWaalsContact C-N 3.3Å; F260-S262 PolarHBondContact O-N 3.02Å; S262-R264 PolarHBondContact O-N 3.06Å |
| 263 | L | 38.3 | Very low | 42.9 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -86.8 | 93.1 | 174.1 | -71.2 | 175.9 | 0 | 0 | 0 | 111.2 | F265 | L263-F265 PolarHBondContact O-N 3.39Š| ||
| 264 | R | 40.3 | Very low | 43.1 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | trans | -58.8 | 123.6 | 153.8 | -74.2 | -176 | 175.9 | -175.7 | -0.7 | 107.6 | S262 E266 | S262-R264 PolarHBondContact O-N 3.06Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3Å | ||
| 265 | F | 41.8 | Very low | 43.5 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 66% | 0.658 | 70% | 0.702 | S | S | * | * | trans | -73.6 | 79.7 | 173.3 | -94.2 | -97.4 | 0 | 0 | 0 | 110.4 | L263 R267 | L263-F265 PolarHBondContact O-N 3.39Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.18Å; F265-R267 VanDerWaalsContact O-N 3.11Å | ||
| 266 | E | 40.8 | Very low | 44.2 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | trans | -76.2 | 89.3 | 162.5 | -73.9 | -178.1 | 175.9 | 0 | 0 | 108.4 | R264 T268 | R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3Å; E266-T268 PolarHBondContact O-N 2.95Å | ||
| 267 | R | 44.6 | Very low | 45.2 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | trans | -60.9 | 107.5 | 176.4 | -74.7 | -179.9 | 170.3 | -172.2 | -6 | 109.6 | E249 M250 F265 | E249-R267 IonicContact OE2-NH1 3.5Å; M250-R267 PolarHBondContact SD-NH2 3.35Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.18Å; F265-R267 VanDerWaalsContact O-N 3.11Å | ||
| 268 | T | 43.3 | Very low | 46.5 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | trans | -83.4 | 141.2 | 166.9 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | E266 S270 E271 | E266-T268 PolarHBondContact O-N 2.95Å; T268-S270 PolarHBondContact O-N 3.49Å; T268-S270 PolarHBondContact OG1-OG 3.48Å; T268-E271 PolarHBondContact O-N 2.9Å | ||
| 269 | E | 48.8 | Very low | 48.1 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.2 | -23.9 | -176.6 | -62.5 | -177.3 | 145.5 | 0 | 0 | 113.4 | ||
| 270 | S | 44 | Very low | 50.1 | Low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.7 | -32.9 | 174.2 | 32.5 | 0 | 0 | 0 | 0 | 114.3 | T268 | T268-S270 PolarHBondContact O-N 3.49Å; T268-S270 PolarHBondContact OG1-OG 3.48Å |
| 271 | E | 48.4 | Very low | 52.6 | Low | 103 Ų | 103 | 119.8 Ų | 119.8 | 48% | 0.481 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -85.2 | -22.5 | -176.8 | -69.5 | -174.1 | 153.4 | 0 | 0 | 113.3 | T268 K273 L274 F275 | T268-E271 PolarHBondContact O-N 2.9Å; E271-K273 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact O-N 3.13Å; E271-L274 WeakPolarHBondContact O-CB 3.35Å; E271-L274 PolarHBondContact O-N 2.94Å; E271-F275 WeakPolarHBondContact O-CD2 3.31Å |
| 272 | A | 47.9 | Very low | 55.2 | Low | 73 Ų | 73 | 113.1 Ų | 113.1 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -55.7 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L274 F275 | A272-L274 VanDerWaalsContact C-N 3.28Å; A272-L274 PolarHBondContact O-N 3.39Å; A272-F275 PolarHBondContact O-N 3.45Å |
| 273 | K | 42.3 | Very low | 57.6 | Low | 174 Ų | 174 | 108.1 Ų | 108.1 | 76% | 0.757 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.1 | 177.6 | -65.4 | -179.3 | 179.9 | 176.5 | 0 | 114.4 | E271 | E271-K273 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact O-N 3.13Å |
| 274 | L | 49.9 | Very low | 60.2 | Low | 112 Ų | 112 | 103 Ų | 103 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.5 | 178.9 | -72.9 | 165.4 | 0 | 0 | 0 | 113.4 | E271 A272 I325 | E271-L274 WeakPolarHBondContact O-CB 3.35Å; E271-L274 PolarHBondContact O-N 2.94Å; A272-L274 VanDerWaalsContact C-N 3.28Å; A272-L274 PolarHBondContact O-N 3.39Å; L274-I325 HydrophobicContact CB-CD1 3.94Å; L274-I325 HydrophobicContact CD2-CD1 4.37Å |
| 275 | F | 53.4 | Low | 62.6 | Low | 70 Ų | 70 | 92.8 Ų | 92.8 | 31% | 0.307 | 46% | 0.461 | S | S | . | . | trans | -111.8 | 15.2 | -177.3 | -71.3 | -83.4 | 0 | 0 | 0 | 114.1 | M250 E271 A272 H277 | M250-F275 HydrophobicContact CE-CB 4.27Å; M250-F275 HydrophobicContact CE-CD1 4.33Å; M250-F275 HydrophobicContact CE-CG 4.24Å; E271-F275 WeakPolarHBondContact O-CD2 3.31Å; A272-F275 PolarHBondContact O-N 3.45Å; F275-H277 PolarHBondContact O-N 2.81Å | ||
| 276 | E | 57.9 | Low | 64.7 | Low | 149 Ų | 149 | 86.3 Ų | 86.3 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | trans | -71.8 | 74.9 | 179.4 | -166 | 176.2 | -178.5 | 0 | 0 | 112.2 | H278 | E276-H278 IonicContact OE1-CE1 2.74Š| ||
| 277 | H | 66 | Low | 66.9 | Low | 20 Ų | 20 | 81.5 Ų | 81.5 | 9% | 0.093 | 42% | 0.419 | C | S | . | . | trans | -99 | 112.7 | 177.8 | 170.3 | 73 | 0 | 0 | 0 | 111.9 | F275 C279 L324 C330 R332 | F275-H277 PolarHBondContact O-N 2.81Å; H277-C279 PolarHBondContact NE2-N 3.18Å; H277-C279 PolarHBondContact NE2-SG 2.74Å; H277-L324 HydrophobicContact CB-CD2 3.43Å; H277-L324 VanDerWaalsContact CB-CD2 3.43Å; H277-C330 PolarHBondContact CD2-SG 2.77Å; H277-C330 WeakPolarHBondContact NE2-CB 3.43Å; H277-R332 PolarHBondContact O-NH1 3.24Å | ||
| 278 | H | 68.8 | Low | 69 | Low | 129 Ų | 129 | 74.1 Ų | 74.1 | 60% | 0.597 | 39% | 0.391 | S | S | * | . | trans | -90.7 | 123.9 | 163.8 | -64.4 | 85.7 | 0 | 0 | 0 | 109.4 | E276 | E276-H278 IonicContact OE1-CE1 2.74Š| ||
| 279 | C | 78.1 | Confident | 71 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 11% | 0.108 | 41% | 0.411 | C | S | . | . | trans | -67 | 154.3 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | H277 V281 | H277-C279 PolarHBondContact NE2-N 3.18Å; H277-C279 PolarHBondContact NE2-SG 2.74Å; C279-V281 HydrophobicContact CB-CG1 4.02Å; C279-V281 HydrophobicContact CB-CG2 4.11Å; C279-V281 PolarHBondContact O-N 2.89Å | ||
| 280 | E | 82.3 | Confident | 72.7 | Confident | 164 Ų | 164 | 72 Ų | 72 | 77% | 0.766 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -78.4 | 74 | 175.7 | -163.9 | -170 | 141.9 | 0 | 0 | 110.8 | ||
| 281 | V | 89.9 | Confident | 74.7 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -135.9 | 163.3 | -175.4 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | K242 C244 C279 V283 I334 | K242-V281 HydrophobicContact CB-CB 4.29Å; K242-V281 HydrophobicContact CB-CG1 4.17Å; K242-V281 WeakPolarHBondContact O-CB 3.38Å; C244-V281 HydrophobicContact CB-CB 4.28Å; C244-V281 HydrophobicContact CB-CG1 3.95Å; C244-V281 HydrophobicContact CB-CG2 3.74Å; C279-V281 HydrophobicContact CB-CG1 4.02Å; C279-V281 HydrophobicContact CB-CG2 4.11Å; C279-V281 PolarHBondContact O-N 2.89Å; V281-V283 WeakPolarHBondContact CG2-O 3.32Å; V281-I334 HydrophobicContact CG1-CD1 4.05Å; V281-I334 HydrophobicContact CG1-CG1 4.14Å; V281-I334 HydrophobicContact CG1-CG2 3.86Å |
| 282 | D | 91.2 | Very high | 76.6 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -82.1 | -36.6 | -178.7 | -61.2 | -50.4 | 0 | 0 | 0 | 112.6 | R222 I226 R230 L241 K242 | R222-D282 PolarHBondContact NE-O 2.88Å; I226-D282 HydrophobicContact CD1-CB 4.02Å; R230-D282 IonicContact CZ-OD1 2.7Å; R230-D282 IonicContact CZ-OD2 2.64Å; R230-D282 VanDerWaalsContact NH1-CG 3.31Å; R230-D282 IonicContact NH1-OD1 2.74Å; R230-D282 PolarHBondContact NH1-OD1 3.46Å; R230-D282 IonicContact NH1-OD2 3.81Å; R230-D282 PolarHBondContact NH1-OD2 2.95Å; R230-D282 IonicContact NH2-OD1 3.14Å; R230-D282 PolarHBondContact NH2-OD1 3.41Å; R230-D282 IonicContact NH2-OD2 3.34Å; L241-D282 WeakPolarHBondContact CA-OD2 3.4Å; L241-D282 WeakPolarHBondContact CB-OD2 3.47Å; L241-D282 HydrophobicContact CD2-CB 4.45Å; K242-D282 PolarHBondContact N-OD2 2.88Å; K242-D282 WeakPolarHBondContact O-CB 3.16Å; K242-D282 PolarHBondContact O-N 2.82Å |
| 283 | V | 92.7 | Very high | 78.6 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 147.7 | -176.9 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | N219 R222 I223 I226 I243 C244 V281 F285 | N219-V283 HydrophobicContact CB-CG1 3.66Å; R222-V283 HydrophobicContact CB-CG2 4.27Å; R222-V283 HydrophobicContact CG-CG2 3.93Å; I223-V283 HydrophobicContact CG1-CB 4.26Å; I223-V283 HydrophobicContact CG1-CG1 4.28Å; I223-V283 HydrophobicContact CG1-CG2 3.89Å; I226-V283 HydrophobicContact CD1-CG2 4.44Å; I243-V283 WeakPolarHBondContact CA-O 3.36Å; C244-V283 PolarHBondContact N-O 2.55Å; V281-V283 WeakPolarHBondContact CG2-O 3.32Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.68Å; V283-F285 HydrophobicContact CG1-CZ 4.11Å |
| 284 | S | 91.1 | Very high | 80.9 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.5 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | N219 C244 | N219-S284 PolarHBondContact ND2-O 3.32Å; C244-S284 CarbonylContact O-C 3.5Å; C244-S284 WeakPolarHBondContact O-CA 3.28Å |
| 285 | F | 91.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.5 | 171.7 | -62.9 | -95.4 | 0 | 0 | 0 | 110.4 | Y216 N219 I223 I243 C244 V245 Y246 V283 L297 I301 | Y216-F285 AromaticContact CD2-CD1 3.97Å; Y216-F285 HydrophobicContact CD2-CD1 3.97Å; Y216-F285 AromaticContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CE2-CD1 4.45Å; Y216-F285 AromaticContact CE2-CE1 3.93Å; Y216-F285 HydrophobicContact CE2-CE1 3.93Å; N219-F285 HydrophobicContact CB-CD1 4.26Å; N219-F285 HydrophobicContact CB-CE1 3.55Å; N219-F285 HydrophobicContact CB-CE2 4.39Å; N219-F285 HydrophobicContact CB-CZ 3.63Å; I223-F285 HydrophobicContact CD1-CE2 3.9Å; I223-F285 HydrophobicContact CD1-CZ 3.84Å; I243-F285 HydrophobicContact CG2-CD2 3.66Å; I243-F285 HydrophobicContact CG2-CE2 3.71Å; C244-F285 PolarHBondContact O-N 3.26Å; V245-F285 HydrophobicContact CG1-CB 4.39Å; V245-F285 HydrophobicContact CG2-CD2 4.31Å; Y246-F285 WeakPolarHBondContact CD1-O 3.47Å; Y246-F285 PolarHBondContact N-O 2.76Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.68Å; V283-F285 HydrophobicContact CG1-CZ 4.11Å; F285-L297 HydrophobicContact CB-CD2 3.81Å; F285-L297 HydrophobicContact CD1-CD2 4.49Å; F285-L297 HydrophobicContact CG-CD2 4.32Å; F285-I301 HydrophobicContact CD1-CD1 4.44Å; F285-I301 HydrophobicContact CD2-CD1 3.9Å; F285-I301 HydrophobicContact CE1-CD1 4.15Å; F285-I301 HydrophobicContact CE1-CG1 4.44Å; F285-I301 HydrophobicContact CE2-CD1 3.57Å; F285-I301 HydrophobicContact CE2-CG1 4.45Å; F285-I301 HydrophobicContact CG-CD1 4.32Å; F285-I301 HydrophobicContact CZ-CD1 3.71Å; F285-I301 HydrophobicContact CZ-CG1 4.11Å |
| 286 | G | 86 | Confident | 84.7 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | trans | 128.1 | 169.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y246 | Y246-G286 VanDerWaalsContact O-CA 3.27Å; Y246-G286 WeakPolarHBondContact O-CA 3.36Å; Y246-G286 PolarHBondContact OH-O 3.4Å; Y246-G286 VanDerWaalsContact OH-O 3.06Å | ||
| 287 | P | 87.8 | Confident | 86.4 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | cis | -73.5 | 170.1 | -7.2 | 33.1 | -35.5 | 0 | 0 | 0 | 112.3 | Y246 K247 E249 | Y246-P287 HydrophobicContact CE2-CB 4.27Å; K247-P287 WeakPolarHBondContact O-CA 3.44Å; K247-P287 VanDerWaalsContact O-CB 3.3Å; K247-P287 WeakPolarHBondContact O-CB 3.48Å; E249-P287 HydrophobicContact CB-CB 4.25Å; E249-P287 HydrophobicContact CB-CG 4.22Å; E249-P287 HydrophobicContact CG-CG 4.47Å | ||
| 288 | W | 88.4 | Confident | 87.7 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | trans | -148.1 | 151.8 | 171.2 | 70.3 | 87 | 0 | 0 | 0 | 112.5 | F209 L213 V245 Y246 K247 A292 D293 V294 L297 | F209-W288 AromaticContact CE2-CD1 3.76Å; F209-W288 HydrophobicContact CE2-CG 4.39Å; F209-W288 AromaticContact CE2-NE1 3.68Å; L213-W288 HydrophobicContact CD2-CB 3.72Å; L213-W288 HydrophobicContact CD2-CD2 3.79Å; L213-W288 HydrophobicContact CD2-CE3 3.61Å; L213-W288 HydrophobicContact CD2-CG 3.86Å; L213-W288 HydrophobicContact CD2-CZ3 4.43Å; L213-W288 HydrophobicContact CG-CB 4.28Å; V245-W288 HydrophobicContact CG1-CH2 3.81Å; V245-W288 HydrophobicContact CG1-CZ3 3.95Å; Y246-W288 VanDerWaalsContact C-CZ3 3.44Å; Y246-W288 WeakPolarHBondContact O-CZ3 3.19Å; K247-W288 HydrophobicContact CB-CD2 4.44Å; K247-W288 HydrophobicContact CB-CH2 4.11Å; K247-W288 HydrophobicContact CB-CZ2 3.82Å; K247-W288 HydrophobicContact CD-CZ2 4.38Å; K247-W288 HydrophobicContact CG-CD2 4.35Å; K247-W288 HydrophobicContact CG-CZ2 4.11Å; K247-W288 PolarHBondContact O-N 3.17Å; W288-A292 PolarHBondContact NE1-O 2.85Å; W288-D293 WeakPolarHBondContact CZ2-O 3.18Å; W288-V294 HydrophobicContact CH2-CG2 3.99Å; W288-V294 HydrophobicContact CZ2-CG2 4.39Å; W288-L297 HydrophobicContact CE3-CD2 4.03Å; W288-L297 HydrophobicContact CH2-CB 4.39Å; W288-L297 HydrophobicContact CH2-CD2 3.69Å; W288-L297 HydrophobicContact CZ2-CD2 4.33Å; W288-L297 HydrophobicContact CZ3-CD2 3.51Å | ||
| 289 | E | 85.3 | Confident | 88.9 | Confident | 183 Ų | 183 | 57.9 Ų | 57.9 | 86% | 0.855 | 31% | 0.307 | S | S | * | . | trans | -110.3 | 86.9 | -179.8 | -168.5 | 173.6 | -178.8 | 0 | 0 | 110.5 | ||||
| 290 | A | 84.6 | Confident | 89.6 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -148.3 | 164.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F209 L212 K247 A292 | F209-A290 HydrophobicContact CD2-CB 3.84Å; F209-A290 HydrophobicContact CE2-CB 4.04Å; L212-A290 HydrophobicContact CD1-CB 3.96Å; K247-A290 WeakPolarHBondContact CE-O 3.46Å; K247-A290 PolarHBondContact NZ-O 2.89Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 HydrophobicContact CB-CB 4.46Å |
| 291 | V | 85.9 | Confident | 90.2 | Very high | 148 Ų | 148 | 49.7 Ų | 49.7 | 90% | 0.897 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -65.4 | -40.7 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | K247 | K247-V291 PolarHBondContact NZ-O 2.94Š|
| 292 | A | 87.8 | Confident | 90.4 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | trans | -50.6 | 143 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F209 K247 W288 A290 D296 | F209-A292 HydrophobicContact CD1-CB 4.13Å; F209-A292 HydrophobicContact CD2-CB 3.71Å; F209-A292 HydrophobicContact CE1-CB 4.01Å; F209-A292 HydrophobicContact CE2-CB 3.61Å; F209-A292 HydrophobicContact CG-CB 3.97Å; F209-A292 HydrophobicContact CZ-CB 3.74Å; K247-A292 PolarHBondContact NZ-O 2.81Å; W288-A292 PolarHBondContact NE1-O 2.85Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 HydrophobicContact CB-CB 4.46Å; A292-D296 WeakPolarHBondContact CA-OD2 3.46Å; A292-D296 HydrophobicContact CB-CB 3.97Å; A292-D296 WeakPolarHBondContact CB-OD2 3.45Å | ||
| 293 | D | 89.9 | Confident | 90.5 | Very high | 67 Ų | 67 | 50 Ų | 50 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | trans | -102.1 | -171.5 | -173.5 | 82.4 | 8.8 | 0 | 0 | 0 | 113.4 | W288 Y295 D296 L297 | W288-D293 WeakPolarHBondContact CZ2-O 3.18Å; D293-Y295 VanDerWaalsContact C-N 3.34Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.3Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 3.14Å; D293-D296 PolarHBondContact N-OD2 2.83Å; D293-D296 PolarHBondContact OD1-N 3.34Å; D293-L297 PolarHBondContact O-N 2.97Å | ||
| 294 | V | 90.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | V245 W288 L297 L298 Y335 | V245-V294 HydrophobicContact CB-CG1 4.1Å; V245-V294 HydrophobicContact CG1-CG1 3.78Å; W288-V294 HydrophobicContact CH2-CG2 3.99Å; W288-V294 HydrophobicContact CZ2-CG2 4.39Å; V294-L297 PolarHBondContact O-N 3.04Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.35Å; V294-L298 VanDerWaalsContact O-CG 3.24Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 3.11Å; V294-Y335 HydrophobicContact CG1-CE2 3.83Å; V294-Y335 VanDerWaalsContact CG1-OH 3.31Å; V294-Y335 WeakPolarHBondContact CG1-OH 3.49Å |
| 295 | Y | 91.2 | Very high | 90.6 | Very high | 150 Ų | 150 | 48.4 Ų | 48.4 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.7 | -37.1 | 179.3 | -60.4 | -76.6 | 0 | 0 | 0 | 112.1 | D293 L297 L298 H299 | D293-Y295 VanDerWaalsContact C-N 3.34Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.3Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 3.14Å; Y295-L297 VanDerWaalsContact C-N 3.27Å; Y295-L297 PolarHBondContact O-N 3.36Å; Y295-L298 HydrophobicContact CD1-CD1 4.25Å; Y295-L298 PolarHBondContact O-N 2.87Å; Y295-H299 WeakPolarHBondContact O-CB 3.46Å; Y295-H299 PolarHBondContact O-N 3.27Å |
| 296 | D | 92.3 | Very high | 90.7 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 171.3 | -68.2 | -45.8 | 0 | 0 | 0 | 111.2 | F209 A292 D293 H299 C300 | F209-D296 HydrophobicContact CE1-CB 4.3Å; A292-D296 WeakPolarHBondContact CA-OD2 3.46Å; A292-D296 HydrophobicContact CB-CB 3.97Å; A292-D296 WeakPolarHBondContact CB-OD2 3.45Å; D293-D296 PolarHBondContact N-OD2 2.83Å; D293-D296 PolarHBondContact OD1-N 3.34Å; D296-H299 PolarHBondContact O-N 3.33Å; D296-C300 PolarHBondContact O-N 3.02Å; D296-C300 PolarHBondContact O-SG 2.8Å |
| 297 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 177.2 | -176.5 | 49.1 | 0 | 0 | 0 | 112.7 | F209 L210 L213 Y216 V245 F285 W288 D293 V294 Y295 H299 C300 I301 | F209-L297 HydrophobicContact CE1-CB 4.23Å; F209-L297 HydrophobicContact CE1-CD1 4.43Å; F209-L297 HydrophobicContact CZ-CB 4.09Å; L210-L297 HydrophobicContact CD2-CD1 4.48Å; L213-L297 HydrophobicContact CD1-CD1 3.5Å; L213-L297 HydrophobicContact CD1-CD2 4.1Å; L213-L297 HydrophobicContact CD1-CG 4.39Å; L213-L297 HydrophobicContact CD2-CD2 3.8Å; Y216-L297 HydrophobicContact CD2-CD1 4.02Å; Y216-L297 HydrophobicContact CE2-CD1 3.59Å; V245-L297 HydrophobicContact CG1-CD2 3.86Å; V245-L297 HydrophobicContact CG1-CG 4.4Å; F285-L297 HydrophobicContact CB-CD2 3.81Å; F285-L297 HydrophobicContact CD1-CD2 4.49Å; F285-L297 HydrophobicContact CG-CD2 4.32Å; W288-L297 HydrophobicContact CE3-CD2 4.03Å; W288-L297 HydrophobicContact CH2-CB 4.39Å; W288-L297 HydrophobicContact CH2-CD2 3.69Å; W288-L297 HydrophobicContact CZ2-CD2 4.33Å; W288-L297 HydrophobicContact CZ3-CD2 3.51Å; D293-L297 PolarHBondContact O-N 2.97Å; V294-L297 PolarHBondContact O-N 3.04Å; Y295-L297 VanDerWaalsContact C-N 3.27Å; Y295-L297 PolarHBondContact O-N 3.36Å; L297-H299 VanDerWaalsContact C-N 3.26Å; L297-H299 PolarHBondContact O-N 2.72Å; L297-C300 WeakPolarHBondContact O-CB 3.25Å; L297-C300 PolarHBondContact O-N 2.94Å; L297-C300 VanDerWaalsContact O-N 3.14Å; L297-I301 HydrophobicContact CD1-CD1 4.19Å; L297-I301 HydrophobicContact CD1-CG1 4.23Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 3.38Å |
| 298 | L | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 174.2 | -68.4 | 168.1 | 0 | 0 | 0 | 111.1 | V245 V294 Y295 I301 V302 Y335 F337 | V245-L298 HydrophobicContact CG2-CD2 4.11Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.35Å; V294-L298 VanDerWaalsContact O-CG 3.24Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 3.11Å; Y295-L298 HydrophobicContact CD1-CD1 4.25Å; Y295-L298 PolarHBondContact O-N 2.87Å; L298-I301 PolarHBondContact O-N 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.45Å; L298-Y335 HydrophobicContact CD1-CD1 3.85Å; L298-Y335 HydrophobicContact CD1-CE1 3.48Å; L298-Y335 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y335 HydrophobicContact CD1-CE2 4.26Å; L298-Y335 HydrophobicContact CD1-CG 4.4Å; L298-Y335 HydrophobicContact CD2-CD1 4.19Å; L298-Y335 HydrophobicContact CD2-CD2 4.23Å; L298-Y335 HydrophobicContact CD2-CG 4.04Å; L298-F337 HydrophobicContact CD2-CE2 3.63Å; L298-F337 HydrophobicContact CD2-CZ 3.53Å |
| 299 | H | 93.3 | Very high | 91 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 174.8 | -176 | -82.5 | 0 | 0 | 0 | 111.9 | Y295 D296 L297 V302 S303 | Y295-H299 WeakPolarHBondContact O-CB 3.46Å; Y295-H299 PolarHBondContact O-N 3.27Å; D296-H299 PolarHBondContact O-N 3.33Å; L297-H299 VanDerWaalsContact C-N 3.26Å; L297-H299 PolarHBondContact O-N 2.72Å; H299-V302 PolarHBondContact O-N 3.01Å; H299-S303 PolarHBondContact CE1-OG 3.34Å; H299-S303 PolarHBondContact ND1-OG 2.64Å; H299-S303 VanDerWaalsContact O-CB 3.28Å; H299-S303 WeakPolarHBondContact O-CB 3.42Å; H299-S303 PolarHBondContact O-N 3.03Å; H299-S303 PolarHBondContact O-OG 2.98Å |
| 300 | C | 93.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | L210 Y216 D296 L297 S303 D304 | L210-C300 HydrophobicContact CD2-CB 4Å; Y216-C300 PolarHBondContact OH-O 3.36Å; D296-C300 PolarHBondContact O-N 3.02Å; D296-C300 PolarHBondContact O-SG 2.8Å; L297-C300 WeakPolarHBondContact O-CB 3.25Å; L297-C300 PolarHBondContact O-N 2.94Å; L297-C300 VanDerWaalsContact O-N 3.14Å; C300-S303 PolarHBondContact O-N 3.03Å; C300-D304 PolarHBondContact O-N 3.34Å |
| 301 | I | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 179.4 | -65.1 | 162.9 | 0 | 0 | 0 | 110.7 | Y216 L220 I223 F285 L297 L298 S303 D304 L305 F337 | Y216-I301 HydrophobicContact CE2-CG1 3.88Å; Y216-I301 PolarHBondContact OH-N 2.89Å; L220-I301 HydrophobicContact CD1-CG2 4.36Å; I223-I301 HydrophobicContact CD1-CG2 4.01Å; F285-I301 HydrophobicContact CD1-CD1 4.44Å; F285-I301 HydrophobicContact CD2-CD1 3.9Å; F285-I301 HydrophobicContact CE1-CD1 4.15Å; F285-I301 HydrophobicContact CE1-CG1 4.44Å; F285-I301 HydrophobicContact CE2-CD1 3.57Å; F285-I301 HydrophobicContact CE2-CG1 4.45Å; F285-I301 HydrophobicContact CG-CD1 4.32Å; F285-I301 HydrophobicContact CZ-CD1 3.71Å; F285-I301 HydrophobicContact CZ-CG1 4.11Å; L297-I301 HydrophobicContact CD1-CD1 4.19Å; L297-I301 HydrophobicContact CD1-CG1 4.23Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 3.38Å; L298-I301 PolarHBondContact O-N 3.29Å; I301-S303 VanDerWaalsContact C-N 3.34Å; I301-S303 PolarHBondContact O-N 3.22Å; I301-D304 PolarHBondContact O-N 2.91Å; I301-L305 HydrophobicContact CG2-CD1 4.07Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.48Å; I301-L305 PolarHBondContact O-N 3.18Å; I301-F337 HydrophobicContact CB-CE1 4.43Å; I301-F337 HydrophobicContact CG2-CE1 3.73Å; I301-F337 HydrophobicContact CG2-CZ 4.16Å |
| 302 | V | 94.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L298 H299 L305 A306 Q314 F337 | L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.45Å; H299-V302 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 2.93Å; V302-A306 WeakPolarHBondContact O-CB 3.31Å; V302-A306 PolarHBondContact O-N 2.89Å; V302-Q314 HydrophobicContact CG2-CG 4.44Å; V302-F337 HydrophobicContact CG2-CE1 4.06Å |
| 303 | S | 92.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | H299 C300 I301 L305 A306 E307 | H299-S303 PolarHBondContact CE1-OG 3.34Å; H299-S303 PolarHBondContact ND1-OG 2.64Å; H299-S303 VanDerWaalsContact O-CB 3.28Å; H299-S303 WeakPolarHBondContact O-CB 3.42Å; H299-S303 PolarHBondContact O-N 3.03Å; H299-S303 PolarHBondContact O-OG 2.98Å; C300-S303 PolarHBondContact O-N 3.03Å; I301-S303 VanDerWaalsContact C-N 3.34Å; I301-S303 PolarHBondContact O-N 3.22Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.36Å; S303-A306 PolarHBondContact O-N 2.87Å; S303-E307 WeakPolarHBondContact O-CG 3.49Å; S303-E307 PolarHBondContact O-N 3.48Å |
| 304 | D | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 177.5 | -80.5 | -44.4 | 0 | 0 | 0 | 113.2 | R206 Y216 L220 C300 I301 R308 | R206-D304 IonicContact CZ-OD1 3.65Å; R206-D304 IonicContact NH1-OD1 2.69Å; R206-D304 IonicContact NH2-OD1 3.59Å; R206-D304 PolarHBondContact NH2-OD1 2.86Å; R206-D304 IonicContact NH2-OD2 3.85Å; R206-D304 PolarHBondContact NH2-OD2 3.49Å; Y216-D304 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D304 WeakPolarHBondContact CE1-OD2 3.24Å; Y216-D304 VanDerWaalsContact CZ-OD2 3.32Å; Y216-D304 PolarHBondContact OH-OD2 2.87Å; L220-D304 HydrophobicContact CD1-CB 4.16Å; L220-D304 HydrophobicContact CD2-CB 3.59Å; C300-D304 PolarHBondContact O-N 3.34Å; I301-D304 PolarHBondContact O-N 2.91Å; D304-R308 VanDerWaalsContact O-CG 3.3Å; D304-R308 WeakPolarHBondContact O-CG 3.3Å; D304-R308 PolarHBondContact O-N 3.45Å |
| 305 | L | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 173.2 | -69.4 | 172.4 | 0 | 0 | 0 | 110.4 | L220 I223 V224 I301 V302 S303 E307 R308 G309 I310 A312 I339 | L220-L305 HydrophobicContact CD1-CD2 3.94Å; L220-L305 HydrophobicContact CD1-CG 4.03Å; I223-L305 HydrophobicContact CG2-CD1 4.31Å; I223-L305 HydrophobicContact CG2-CD2 4.38Å; V224-L305 HydrophobicContact CG2-CD2 3.63Å; I301-L305 HydrophobicContact CG2-CD1 4.07Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.48Å; I301-L305 PolarHBondContact O-N 3.18Å; V302-L305 PolarHBondContact O-N 2.93Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.36Å; L305-E307 PolarHBondContact O-N 3.41Å; L305-R308 CarbonylContact O-C 3.56Å; L305-R308 WeakPolarHBondContact O-CA 3.33Å; L305-R308 WeakPolarHBondContact O-CB 3.16Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 VanDerWaalsContact O-N 3.09Å; L305-G309 PolarHBondContact O-N 3.18Å; L305-I310 CarbonylContact C-O 3.52Å; L305-I310 HydrophobicContact CB-CB 4.28Å; L305-I310 HydrophobicContact CB-CG2 4.48Å; L305-I310 HydrophobicContact CD2-CD1 4.36Å; L305-I310 WeakPolarHBondContact O-CA 3.43Å; L305-I310 WeakPolarHBondContact O-CB 3.34Å; L305-I310 PolarHBondContact O-N 3.07Å; L305-A312 HydrophobicContact CB-CB 4.36Å; L305-A312 HydrophobicContact CD1-CB 3.65Å; L305-I339 HydrophobicContact CD1-CD1 4.08Å |
| 306 | A | 92.2 | Very high | 93 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V302 S303 R308 G309 I310 | V302-A306 WeakPolarHBondContact O-CB 3.31Å; V302-A306 PolarHBondContact O-N 2.89Å; S303-A306 PolarHBondContact O-N 2.87Å; A306-R308 PolarHBondContact O-N 3.12Å; A306-G309 WeakPolarHBondContact O-CA 3.28Å; A306-G309 PolarHBondContact O-N 3.46Å; A306-I310 WeakPolarHBondContact CA-O 3.33Å; A306-I310 PolarHBondContact N-O 3.31Å |
| 307 | E | 90.2 | Very high | 93 | Very high | 118 Ų | 118 | 54.1 Ų | 54.1 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -26.9 | 172.9 | -74.1 | -177 | -178.1 | 0 | 0 | 112.6 | S303 L305 G309 | S303-E307 WeakPolarHBondContact O-CG 3.49Å; S303-E307 PolarHBondContact O-N 3.48Å; L305-E307 PolarHBondContact O-N 3.41Å; E307-G309 VanDerWaalsContact C-N 3.28Å |
| 308 | R | 90.3 | Very high | 92.7 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.6 | 171.5 | -64 | 169.9 | -174.6 | -146.3 | -4.2 | 113.5 | D304 L305 A306 I310 | D304-R308 VanDerWaalsContact O-CG 3.3Å; D304-R308 WeakPolarHBondContact O-CG 3.3Å; D304-R308 PolarHBondContact O-N 3.45Å; L305-R308 CarbonylContact O-C 3.56Å; L305-R308 WeakPolarHBondContact O-CA 3.33Å; L305-R308 WeakPolarHBondContact O-CB 3.16Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 VanDerWaalsContact O-N 3.09Å; A306-R308 PolarHBondContact O-N 3.12Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 HydrophobicContact CB-CD1 4.17Å; R308-I310 HydrophobicContact CB-CG1 4.32Å |
| 309 | G | 89.1 | Confident | 92.4 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 15.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L305 A306 E307 | L305-G309 PolarHBondContact O-N 3.18Å; A306-G309 WeakPolarHBondContact O-CA 3.28Å; A306-G309 PolarHBondContact O-N 3.46Å; E307-G309 VanDerWaalsContact C-N 3.28Å |
| 310 | I | 92.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | trans | -104.5 | 120.9 | -175.2 | -58.6 | 172.2 | 0 | 0 | 0 | 109.1 | V224 L305 A306 R308 I339 W341 | V224-I310 HydrophobicContact CG1-CD1 4.19Å; V224-I310 HydrophobicContact CG2-CD1 3.91Å; L305-I310 CarbonylContact C-O 3.52Å; L305-I310 HydrophobicContact CB-CB 4.28Å; L305-I310 HydrophobicContact CB-CG2 4.48Å; L305-I310 HydrophobicContact CD2-CD1 4.36Å; L305-I310 WeakPolarHBondContact O-CA 3.43Å; L305-I310 WeakPolarHBondContact O-CB 3.34Å; L305-I310 PolarHBondContact O-N 3.07Å; A306-I310 WeakPolarHBondContact CA-O 3.33Å; A306-I310 PolarHBondContact N-O 3.31Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 HydrophobicContact CB-CD1 4.17Å; R308-I310 HydrophobicContact CB-CG1 4.32Å; I310-I339 HydrophobicContact CG2-CG2 3.41Å; I310-I339 VanDerWaalsContact CG2-CG2 3.41Å; I310-W341 HydrophobicContact CD1-CH2 3.74Å; I310-W341 HydrophobicContact CD1-CZ3 3.7Å; I310-W341 HydrophobicContact CG1-CE3 4.43Å; I310-W341 HydrophobicContact CG1-CH2 4.29Å; I310-W341 HydrophobicContact CG1-CZ3 3.83Å | ||
| 311 | T | 93.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 130 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | I339 T340 | T311-I339 WeakPolarHBondContact O-CA 3.33Å; T311-T340 PolarHBondContact N-O 3.13Å; T311-T340 PolarHBondContact O-N 2.94Å |
| 312 | A | 94.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L305 K338 I339 | L305-A312 HydrophobicContact CB-CB 4.36Å; L305-A312 HydrophobicContact CD1-CB 3.65Å; A312-K338 WeakPolarHBondContact CA-O 3.21Å; A312-I339 HydrophobicContact CB-CG1 4.11Å |
| 313 | D | 93.8 | Very high | 89 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 144.6 | 167.1 | -49.4 | -50.6 | 0 | 0 | 0 | 108.9 | F337 K338 | D313-F337 CarbonylContact O-C 3.39Å; D313-F337 WeakPolarHBondContact O-CA 3.5Å; D313-K338 HydrophobicContact CB-CB 4.32Å; D313-K338 PolarHBondContact N-O 3.11Å; D313-K338 PolarHBondContact O-N 3.5Å; D313-K338 IonicContact OD2-NZ 3.06Å; D313-K338 PolarHBondContact OD2-NZ 3.06Å |
| 314 | Q | 93.6 | Very high | 88 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.8 | 173.1 | 68.9 | 78.8 | 17.2 | 0 | 0 | 111.8 | V302 E336 F337 | V302-Q314 HydrophobicContact CG2-CG 4.44Å; Q314-E336 WeakPolarHBondContact CA-O 3.32Å; Q314-F337 HydrophobicContact CB-CD1 4.17Å; Q314-F337 HydrophobicContact CB-CD2 4.04Å; Q314-F337 HydrophobicContact CB-CE1 3.95Å; Q314-F337 HydrophobicContact CB-CE2 3.82Å; Q314-F337 HydrophobicContact CB-CG 4.22Å; Q314-F337 HydrophobicContact CB-CZ 3.78Å; Q314-F337 HydrophobicContact CG-CZ 4.38Å |
| 315 | Q | 94.6 | Very high | 86.6 | Confident | 132 Ų | 132 | 69.4 Ų | 69.4 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135.6 | 174 | 179.6 | 176.8 | 2 | 0 | 0 | 110.4 | I317 Y335 E336 | Q315-I317 PolarHBondContact O-N 3.25Å; Q315-Y335 CarbonylContact O-C 3.17Å; Q315-Y335 VanDerWaalsContact O-CA 3.31Å; Q315-Y335 WeakPolarHBondContact O-CA 3.47Å; Q315-E336 PolarHBondContact N-O 3.36Å; Q315-E336 PolarHBondContact O-N 3.47Å |
| 316 | C | 92.9 | Very high | 84.8 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.3 | 168.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | Y335 | C316-Y335 HydrophobicContact CB-CD1 3.9Å; C316-Y335 HydrophobicContact CB-CE1 3.65Å |
| 317 | I | 92.3 | Very high | 83.3 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -3.8 | 177.2 | 58.5 | 166.5 | 0 | 0 | 0 | 113 | K242 Q315 I334 E336 | K242-I317 HydrophobicContact CD-CD1 4.45Å; K242-I317 HydrophobicContact CG-CD1 4.2Å; Q315-I317 PolarHBondContact O-N 3.25Å; I317-I334 HydrophobicContact CD1-CG2 3.88Å; I317-I334 HydrophobicContact CG1-CB 4.2Å; I317-I334 HydrophobicContact CG1-CG2 3.97Å; I317-I334 VanDerWaalsContact CG1-O 3.25Å; I317-I334 WeakPolarHBondContact CG1-O 3.32Å; I317-I334 PolarHBondContact N-O 3.2Å; I317-E336 HydrophobicContact CD1-CB 4.42Å; I317-E336 HydrophobicContact CG2-CB 3.57Å |
| 318 | G | 88.4 | Confident | 82.1 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -154.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I334 | G318-I334 PolarHBondContact O-N 3.06Å |
| 319 | V | 86.1 | Confident | 81.1 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 156.7 | 172.9 | -66.8 | 0 | 0 | 0 | 0 | 109.4 | K331 R332 | V319-K331 WeakPolarHBondContact CG1-O 3.06Å; V319-K331 HydrophobicContact CG2-CD 3.95Å; V319-R332 CarbonylContact C-O 3.45Å; V319-R332 WeakPolarHBondContact CA-O 3.45Å |
| 320 | C | 82.4 | Confident | 80.5 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | trans | -57.7 | 151.8 | 163.3 | -164.3 | 0 | 0 | 0 | 0 | 110.1 | C330 R332 I334 | C320-C330 CarbonylContact C-O 3.57Å; C320-C330 HydrophobicContact CB-CB 3.94Å; C320-C330 CarbonylContact O-C 3.53Å; C320-R332 PolarHBondContact N-O 3.21Å; C320-I334 HydrophobicContact CB-CD1 4.03Å | ||
| 321 | D | 78.1 | Confident | 79.9 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | trans | -134.4 | 10.1 | 180 | 66.1 | -20.2 | 0 | 0 | 0 | 112.4 | H323 Y329 | D321-H323 PolarHBondContact O-N 3.01Å; D321-Y329 WeakPolarHBondContact O-CD1 3.14Å | ||
| 322 | K | 75.5 | Confident | 79.6 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 53% | 0.53 | 36% | 0.364 | S | S | . | . | trans | -63.6 | 125.4 | -179.7 | -179.3 | 150 | 161.7 | -167.3 | 0 | 110.6 | C330 | K322-C330 PolarHBondContact O-N 2.87Š| ||
| 323 | H | 69.5 | Low | 79.3 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.44 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -65.1 | 136.5 | 176.2 | -171.7 | -79.9 | 0 | 0 | 0 | 110.5 | D321 Y329 | D321-H323 PolarHBondContact O-N 3.01Å; H323-Y329 HydrophobicContact CB-CD1 4.28Å; H323-Y329 HydrophobicContact CB-CE1 4.14Å; H323-Y329 AromaticContact CD2-CE1 3.75Å; H323-Y329 AromaticContact CD2-CZ 3.84Å |
| 324 | L | 71.1 | Confident | 79.3 | Confident | 47 Ų | 47 | 70 Ų | 70 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | trans | -101.1 | -108.4 | 175.5 | -55.4 | 174.7 | 0 | 0 | 0 | 108.1 | H277 Y328 | H277-L324 HydrophobicContact CB-CD2 3.43Å; H277-L324 VanDerWaalsContact CB-CD2 3.43Å; L324-Y328 WeakPolarHBondContact CB-O 3.4Å; L324-Y328 PolarHBondContact N-O 3.02Å | ||
| 325 | I | 65.7 | Low | 79.3 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -132.7 | 154.1 | -178.5 | -62.6 | 172.6 | 0 | 0 | 0 | 107.8 | L274 H327 Y328 | L274-I325 HydrophobicContact CB-CD1 3.94Å; L274-I325 HydrophobicContact CD2-CD1 4.37Å; I325-H327 PolarHBondContact O-N 3.17Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 WeakPolarHBondContact O-CD2 3.27Å; I325-Y328 PolarHBondContact O-N 3.11Å |
| 326 | N | 55.5 | Low | 79.4 | Confident | 128 Ų | 128 | 63 Ų | 63 | 68% | 0.684 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48.1 | 170.6 | -64.4 | -13.3 | 0 | 0 | 0 | 115.5 | Y328 | N326-Y328 HydrophobicContact CB-CD2 4.35Å; N326-Y328 HydrophobicContact CB-CE2 4.36Å; N326-Y328 PolarHBondContact O-N 3.29Å |
| 327 | H | 59 | Low | 79.6 | Confident | 128 Ų | 128 | 59.9 Ų | 59.9 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 10 | -177.6 | -49.5 | -74.8 | 0 | 0 | 0 | 116.1 | I325 Y329 | I325-H327 PolarHBondContact O-N 3.17Å; H327-Y329 VanDerWaalsContact O-CD2 3.28Å; H327-Y329 WeakPolarHBondContact O-CD2 3.3Å; H327-Y329 WeakPolarHBondContact O-CE2 3.33Å |
| 328 | Y | 64.8 | Low | 79.7 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | trans | -80.4 | 137.7 | 170.9 | -61.4 | -58.6 | 0 | 0 | 0 | 111.4 | I252 L324 I325 N326 | I252-Y328 HydrophobicContact CG2-CD1 3.32Å; I252-Y328 HydrophobicContact CG2-CE1 3.39Å; I252-Y328 HydrophobicContact CG2-CG 4.24Å; L324-Y328 WeakPolarHBondContact CB-O 3.4Å; L324-Y328 PolarHBondContact N-O 3.02Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 WeakPolarHBondContact O-CD2 3.27Å; I325-Y328 PolarHBondContact O-N 3.11Å; N326-Y328 HydrophobicContact CB-CD2 4.35Å; N326-Y328 HydrophobicContact CB-CE2 4.36Å; N326-Y328 PolarHBondContact O-N 3.29Å | ||
| 329 | Y | 70.3 | Confident | 80 | Confident | 81 Ų | 81 | 58 Ų | 58 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 146.2 | 175.1 | -63.5 | -89.8 | 0 | 0 | 0 | 108.4 | D321 H323 H327 | D321-Y329 WeakPolarHBondContact O-CD1 3.14Å; H323-Y329 HydrophobicContact CB-CD1 4.28Å; H323-Y329 HydrophobicContact CB-CE1 4.14Å; H323-Y329 AromaticContact CD2-CE1 3.75Å; H323-Y329 AromaticContact CD2-CZ 3.84Å; H327-Y329 VanDerWaalsContact O-CD2 3.28Å; H327-Y329 WeakPolarHBondContact O-CD2 3.3Å; H327-Y329 WeakPolarHBondContact O-CE2 3.33Å |
| 330 | C | 76.6 | Confident | 80.3 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | trans | -60.4 | 146 | 159.4 | -167.2 | 0 | 0 | 0 | 0 | 109 | H277 C320 K322 | H277-C330 PolarHBondContact CD2-SG 2.77Å; H277-C330 WeakPolarHBondContact NE2-CB 3.43Å; C320-C330 CarbonylContact C-O 3.57Å; C320-C330 HydrophobicContact CB-CB 3.94Å; C320-C330 CarbonylContact O-C 3.53Å; K322-C330 PolarHBondContact O-N 2.87Å | ||
| 331 | K | 80.7 | Confident | 80.2 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | trans | -136.1 | 22.8 | 172.7 | -66.2 | -64.2 | 172.6 | -161.5 | 0 | 112.7 | P251 T253 V319 | P251-K331 HydrophobicContact CG-CB 4.4Å; T253-K331 HydrophobicContact CG2-CG 3.98Å; V319-K331 WeakPolarHBondContact CG1-O 3.06Å; V319-K331 HydrophobicContact CG2-CD 3.95Å | ||
| 332 | R | 85.9 | Confident | 79.9 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -65.6 | 132.4 | 178.4 | -69 | 176.1 | 176.6 | 156.1 | 0 | 110.4 | C244 Y246 E249 P251 H277 V319 C320 | C244-R332 VanDerWaalsContact SG-CB 3.52Å; Y246-R332 HydrophobicContact CD1-CG 4.25Å; Y246-R332 HydrophobicContact CG-CG 4.04Å; E249-R332 PolarHBondContact O-NH2 3.49Å; P251-R332 HydrophobicContact CG-CG 4.42Å; H277-R332 PolarHBondContact O-NH1 3.24Å; V319-R332 CarbonylContact C-O 3.45Å; V319-R332 WeakPolarHBondContact CA-O 3.45Å; C320-R332 PolarHBondContact N-O 3.21Å | ||
| 333 | P | 89.1 | Confident | 80.2 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 139.3 | 176.2 | -25.3 | 35.4 | 0 | 0 | 0 | 113.1 | C244 V245 Y335 | C244-P333 WeakPolarHBondContact CA-O 3.33Å; V245-P333 PolarHBondContact N-O 2.94Å; P333-Y335 HydrophobicContact CB-CE2 3.71Å |
| 334 | I | 92.5 | Very high | 80.7 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.2 | 175.7 | -53.2 | 177.8 | 0 | 0 | 0 | 109 | K242 V281 I317 G318 C320 | K242-I334 HydrophobicContact CB-CG2 4.09Å; V281-I334 HydrophobicContact CG1-CD1 4.05Å; V281-I334 HydrophobicContact CG1-CG1 4.14Å; V281-I334 HydrophobicContact CG1-CG2 3.86Å; I317-I334 HydrophobicContact CD1-CG2 3.88Å; I317-I334 HydrophobicContact CG1-CB 4.2Å; I317-I334 HydrophobicContact CG1-CG2 3.97Å; I317-I334 VanDerWaalsContact CG1-O 3.25Å; I317-I334 WeakPolarHBondContact CG1-O 3.32Å; I317-I334 PolarHBondContact N-O 3.2Å; G318-I334 PolarHBondContact O-N 3.06Å; C320-I334 HydrophobicContact CB-CD1 4.03Å |
| 335 | Y | 95.3 | Very high | 81.2 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.6 | 177.8 | -63.9 | -92.1 | 0 | 0 | 0 | 109.8 | K242 I243 V245 V294 L298 Q315 C316 P333 | K242-Y335 CarbonylContact C-O 3.56Å; K242-Y335 WeakPolarHBondContact CA-O 3.44Å; I243-Y335 PolarHBondContact N-O 2.83Å; I243-Y335 PolarHBondContact O-N 3.32Å; V245-Y335 HydrophobicContact CB-CD2 4.12Å; V245-Y335 HydrophobicContact CB-CE2 4.06Å; V245-Y335 HydrophobicContact CG2-CD2 4.04Å; V245-Y335 HydrophobicContact CG2-CE2 4.45Å; V294-Y335 HydrophobicContact CG1-CE2 3.83Å; V294-Y335 VanDerWaalsContact CG1-OH 3.31Å; V294-Y335 WeakPolarHBondContact CG1-OH 3.49Å; L298-Y335 HydrophobicContact CD1-CD1 3.85Å; L298-Y335 HydrophobicContact CD1-CE1 3.48Å; L298-Y335 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y335 HydrophobicContact CD1-CE2 4.26Å; L298-Y335 HydrophobicContact CD1-CG 4.4Å; L298-Y335 HydrophobicContact CD2-CD1 4.19Å; L298-Y335 HydrophobicContact CD2-CD2 4.23Å; L298-Y335 HydrophobicContact CD2-CG 4.04Å; Q315-Y335 CarbonylContact O-C 3.17Å; Q315-Y335 VanDerWaalsContact O-CA 3.31Å; Q315-Y335 WeakPolarHBondContact O-CA 3.47Å; C316-Y335 HydrophobicContact CB-CD1 3.9Å; C316-Y335 HydrophobicContact CB-CE1 3.65Å; P333-Y335 HydrophobicContact CB-CE2 3.71Å |
| 336 | E | 96.1 | Very high | 82.2 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.7 | 164.9 | -171.2 | -177.2 | 81.8 | 0 | 0 | 109 | K240 L241 Q314 Q315 I317 | K240-E336 HydrophobicContact CB-CG 4.37Å; K240-E336 WeakPolarHBondContact CD-OE2 3.35Å; K240-E336 WeakPolarHBondContact CE-OE1 3.31Å; K240-E336 HydrophobicContact CG-CG 4.43Å; K240-E336 IonicContact NZ-OE1 3.39Å; K240-E336 PolarHBondContact NZ-OE1 2.96Å; K240-E336 IonicContact NZ-OE2 2.72Å; K240-E336 PolarHBondContact NZ-OE2 3.22Å; K240-E336 VanDerWaalsContact NZ-OE2 3.12Å; L241-E336 CarbonylContact O-C 3.44Å; L241-E336 VanDerWaalsContact O-CA 3.32Å; L241-E336 WeakPolarHBondContact O-CA 3.49Å; Q314-E336 WeakPolarHBondContact CA-O 3.32Å; Q315-E336 PolarHBondContact N-O 3.36Å; Q315-E336 PolarHBondContact O-N 3.47Å; I317-E336 HydrophobicContact CD1-CB 4.42Å; I317-E336 HydrophobicContact CG2-CB 3.57Å |
| 337 | F | 96.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.3 | 171 | -85.3 | -111.2 | 0 | 0 | 0 | 109.4 | K240 L241 I243 L298 I301 V302 D313 Q314 | K240-F337 CarbonylContact C-O 3.5Å; K240-F337 WeakPolarHBondContact CA-O 3.28Å; L241-F337 PolarHBondContact N-O 2.92Å; L241-F337 PolarHBondContact O-N 3.36Å; I243-F337 HydrophobicContact CB-CD2 3.99Å; I243-F337 HydrophobicContact CB-CE2 4.14Å; I243-F337 HydrophobicContact CD1-CB 4.12Å; I243-F337 HydrophobicContact CD1-CD1 4.2Å; I243-F337 HydrophobicContact CD1-CD2 3.54Å; I243-F337 HydrophobicContact CD1-CE2 3.91Å; I243-F337 HydrophobicContact CD1-CG 3.69Å; I243-F337 HydrophobicContact CD1-CZ 4.38Å; I243-F337 HydrophobicContact CG1-CB 4.5Å; I243-F337 HydrophobicContact CG1-CD2 3.8Å; I243-F337 HydrophobicContact CG1-CE2 4.32Å; I243-F337 HydrophobicContact CG1-CG 4.28Å; L298-F337 HydrophobicContact CD2-CE2 3.63Å; L298-F337 HydrophobicContact CD2-CZ 3.53Å; I301-F337 HydrophobicContact CB-CE1 4.43Å; I301-F337 HydrophobicContact CG2-CE1 3.73Å; I301-F337 HydrophobicContact CG2-CZ 4.16Å; V302-F337 HydrophobicContact CG2-CE1 4.06Å; D313-F337 CarbonylContact O-C 3.39Å; D313-F337 WeakPolarHBondContact O-CA 3.5Å; Q314-F337 HydrophobicContact CB-CD1 4.17Å; Q314-F337 HydrophobicContact CB-CD2 4.04Å; Q314-F337 HydrophobicContact CB-CE1 3.95Å; Q314-F337 HydrophobicContact CB-CE2 3.82Å; Q314-F337 HydrophobicContact CB-CG 4.22Å; Q314-F337 HydrophobicContact CB-CZ 3.78Å; Q314-F337 HydrophobicContact CG-CZ 4.38Å |
| 338 | K | 95.5 | Very high | 85.5 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 102.3 | 173.9 | 175.2 | -177.9 | 152.3 | -113.9 | 0 | 108.7 | F238 A239 A312 D313 | F238-K338 HydrophobicContact CB-CG 4.44Å; F238-K338 HydrophobicContact CD2-CG 4.24Å; A239-K338 WeakPolarHBondContact O-CA 3.35Å; A312-K338 WeakPolarHBondContact CA-O 3.21Å; D313-K338 HydrophobicContact CB-CB 4.32Å; D313-K338 PolarHBondContact N-O 3.11Å; D313-K338 PolarHBondContact O-N 3.5Å; D313-K338 IonicContact OD2-NZ 3.06Å; D313-K338 PolarHBondContact OD2-NZ 3.06Å |
| 339 | I | 94.6 | Very high | 87 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.4 | -176.5 | -67.4 | -177.1 | 0 | 0 | 0 | 109.8 | I223 A227 F238 A239 L241 L305 I310 T311 A312 W341 | I223-I339 HydrophobicContact CG2-CD1 3.27Å; A227-I339 HydrophobicContact CB-CB 4.1Å; A227-I339 HydrophobicContact CB-CD1 3.96Å; A227-I339 HydrophobicContact CB-CG2 3.83Å; F238-I339 CarbonylContact C-O 3.56Å; F238-I339 WeakPolarHBondContact CA-O 3.4Å; F238-I339 WeakPolarHBondContact CB-O 3.48Å; A239-I339 PolarHBondContact N-O 3.04Å; A239-I339 PolarHBondContact O-N 2.98Å; L241-I339 HydrophobicContact CD1-CD1 4.11Å; L241-I339 HydrophobicContact CD1-CG1 4.5Å; L305-I339 HydrophobicContact CD1-CD1 4.08Å; I310-I339 HydrophobicContact CG2-CG2 3.41Å; I310-I339 VanDerWaalsContact CG2-CG2 3.41Å; T311-I339 WeakPolarHBondContact O-CA 3.33Å; A312-I339 HydrophobicContact CB-CG1 4.11Å; I339-W341 HydrophobicContact CG2-CZ2 4.27Å |
| 340 | T | 92.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.7 | -172.5 | -53 | 0 | 0 | 0 | 0 | 110.3 | R237 T311 | R237-T340 HydrophobicContact CG-CG2 4.06Å; T311-T340 PolarHBondContact N-O 3.13Å; T311-T340 PolarHBondContact O-N 2.94Å |
| 341 | W | 79.4 | Confident | 89.2 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | trans | -103.3 | -30.4 | -163.6 | -73.8 | 104.8 | 0 | 0 | 0 | 116.7 | V224 A227 K228 R237 I310 I339 | V224-W341 HydrophobicContact CG1-CH2 4.18Å; A227-W341 HydrophobicContact CB-CZ2 3.77Å; A227-W341 PolarHBondContact O-NE1 3.21Å; K228-W341 HydrophobicContact CB-CZ2 4.18Å; K228-W341 HydrophobicContact CD-CH2 4.03Å; K228-W341 VanDerWaalsContact CE-CH2 3.5Å; K228-W341 HydrophobicContact CG-CH2 3.3Å; K228-W341 HydrophobicContact CG-CZ2 3.34Å; K228-W341 HydrophobicContact CG-CZ3 4.06Å; R237-W341 PolarHBondContact O-N 3.4Å; R237-W341 VanDerWaalsContact O-N 3.15Å; I310-W341 HydrophobicContact CD1-CH2 3.74Å; I310-W341 HydrophobicContact CD1-CZ3 3.7Å; I310-W341 HydrophobicContact CG1-CE3 4.43Å; I310-W341 HydrophobicContact CG1-CH2 4.29Å; I310-W341 HydrophobicContact CG1-CZ3 3.83Å; I339-W341 HydrophobicContact CG2-CZ2 4.27Å | ||
| 342 | W | 72.9 | Confident | 90 | Very high | 202 Ų | 202 | 46 Ų | 46 | 77% | 0.765 | 20% | 0.197 | S | C | * | . | trans | -152.3 | 0 | 175.5 | 60.2 | 89.3 | 0 | 0 | 0 | 107.2 | R237 | R237-W342 HydrophobicContact CB-CZ2 4.34Å; R237-W342 WeakPolarHBondContact CG-O 3.45Å; R237-W342 PolarHBondContact NE-O 3.14Å; R237-W342 PolarHBondContact NH2-O 2.94Å; R237-W342 PolarHBondContact NH2-OXT 3.5Å |
Retrieved 342 of 342 residues in 285.6 ms
(Link to these results)