| 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 | 29.1 | Very low | 33.8 | Very low | 221 Ų | 221 | 127.9 Ų | 127.9 | 100% | 1.089 | 81% | 0.809 | S | S | * | * | 0 | 139.3 | 0 | -80.8 | 173.1 | 160.7 | 0 | 0 | 107.7 | |||||
| 2 | F | 31.8 | Very low | 34.2 | Very low | 207 Ų | 207 | 128.2 Ų | 128.2 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | 58.1 | 165.8 | 178.7 | -48.3 | -70.7 | 0 | 0 | 0 | 114.8 | ||||
| 3 | G | 26.4 | Very low | 34.6 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | cis | -159.6 | 162.6 | -7.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | P | 39.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | trans | -94.4 | 156.9 | -165.2 | 36.5 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 5 | M | 32.3 | Very low | 35.3 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -113.4 | 117.3 | 146.9 | -60.4 | -74.5 | 177.7 | 0 | 0 | 104.5 | ||||
| 6 | T | 35.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | 47.9 | 134.9 | 63.5 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 7 | G | 31.8 | Very low | 36.6 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | cis | 134.3 | 42.3 | 7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | S | 35.6 | Very low | 37 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.3 | -173.3 | -51.1 | 0 | 0 | 0 | 0 | 111 | ||
| 9 | P | 38.6 | Very low | 37.3 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 147.7 | 178.3 | 30.8 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 10 | C | 35.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.6 | 163.7 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 11 | G | 35.1 | Very low | 38 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 172.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 12 | P | 39.1 | Very low | 38.4 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65 | 156.7 | -173.2 | 27.4 | -35.6 | 0 | 0 | 0 | 113.3 | L14 | P12-L14 PolarHBondContact O-N 2.87Š|
| 13 | A | 38.7 | Very low | 38.8 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 14 | L | 37.3 | Very low | 39.2 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 137 | 160.1 | -75.3 | 165.3 | 0 | 0 | 0 | 109 | P12 | P12-L14 PolarHBondContact O-N 2.87Š|
| 15 | S | 42.4 | Very low | 39.3 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 147 | -179.7 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 16 | P | 45.3 | Very low | 39.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.2 | 175.5 | 27.1 | -34.7 | 0 | 0 | 0 | 110.9 | ||
| 17 | P | 48.4 | Very low | 39.7 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.3 | 169.5 | 29.5 | -34.5 | 0 | 0 | 0 | 110.1 | ||
| 18 | P | 43.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 146 | -179.6 | 26.7 | -35 | 0 | 0 | 0 | 111.7 | ||
| 19 | E | 42.3 | Very low | 40.2 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.1 | -176.6 | -61.6 | -173.3 | 123.3 | 0 | 0 | 112.4 | R21 | E19-R21 PolarHBondContact O-N 3.13Š|
| 20 | P | 42.7 | Very low | 40.3 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.6 | 170.4 | 28.4 | -32.8 | 0 | 0 | 0 | 109.5 | ||
| 21 | R | 46.4 | Very low | 40.3 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53 | 137.4 | 178 | -65.6 | -179.1 | 178.6 | -132.1 | -0.3 | 110.6 | E19 L23 | E19-R21 PolarHBondContact O-N 3.13Å; R21-L23 PolarHBondContact O-N 3.09Å |
| 22 | P | 38.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.4 | -179.6 | 25.6 | -33.9 | 0 | 0 | 0 | 110.5 | S24 | P22-S24 PolarHBondContact O-N 2.58Š|
| 23 | L | 38.2 | Very low | 40.2 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 117.8 | 171.3 | -70.9 | 173.7 | 0 | 0 | 0 | 109.2 | R21 V25 | R21-L23 PolarHBondContact O-N 3.09Å; L23-V25 PolarHBondContact O-N 3.46Å; L23-V25 VanDerWaalsContact O-N 3.15Å |
| 24 | S | 35.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -58.2 | 114.7 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | P22 | P22-S24 PolarHBondContact O-N 2.58Š| ||
| 25 | V | 41.4 | Very low | 39.5 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.2 | 172.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | L23 N27 | L23-V25 PolarHBondContact O-N 3.46Å; L23-V25 VanDerWaalsContact O-N 3.15Å; V25-N27 PolarHBondContact O-N 3.06Å |
| 26 | P | 39.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.1 | 175.1 | 25.1 | -33.1 | 0 | 0 | 0 | 110 | R28 | P26-R28 PolarHBondContact O-N 3.26Š|
| 27 | N | 36.3 | Very low | 39 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.2 | -165.3 | -160.7 | -7.4 | 0 | 0 | 0 | 111.8 | V25 | V25-N27 PolarHBondContact O-N 3.06Š|
| 28 | R | 40.4 | Very low | 38.1 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 119.9 | -179.2 | -172.7 | -177.2 | -174.8 | -161.4 | 1.8 | 108.9 | P26 A30 | P26-R28 PolarHBondContact O-N 3.26Å; R28-A30 PolarHBondContact O-N 3.13Å |
| 29 | P | 38.4 | Very low | 37.7 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133.4 | -176.1 | 24.6 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 30 | A | 40 | Very low | 37.4 | Very low | 85 Ų | 85 | 147.4 Ų | 147.4 | 70% | 0.702 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72 | 150.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R28 | R28-A30 PolarHBondContact O-N 3.13Š|
| 31 | P | 36 | Very low | 36.9 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.8 | 174.8 | 28.6 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 32 | R | 37.9 | Very low | 36.7 | Very low | 244 Ų | 244 | 148.2 Ų | 148.2 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 132.7 | 172.9 | -69.7 | -178.1 | 173.4 | -132 | 1 | 110.5 | ||
| 33 | P | 34.6 | Very low | 36.3 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138.8 | 166.6 | 33.2 | -31.8 | 0 | 0 | 0 | 110.7 | ||
| 34 | G | 31.9 | Very low | 36.2 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 155.6 | 110.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 35 | A | 29.5 | Very low | 36.1 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 2.1 | 154.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 36 | P | 33.7 | Very low | 35.9 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | cis | -123.6 | 173.8 | 22.1 | 41 | -28.4 | 0 | 0 | 0 | 116.4 | A38 | P36-A38 PolarHBondContact O-N 3.17Š| ||
| 37 | Q | 42.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 117.2 | 177.8 | -63.2 | 169.1 | -2.9 | 0 | 0 | 110.9 | R39 | Q37-R39 PolarHBondContact O-N 3.02Š|
| 38 | A | 31.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P36 | P36-A38 PolarHBondContact O-N 3.17Š|
| 39 | R | 34.8 | Very low | 35.3 | Very low | 228 Ų | 228 | 144.5 Ų | 144.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 141.7 | -176.3 | -75.2 | 170.1 | 156.8 | 177.7 | -8.8 | 111.8 | Q37 L41 | Q37-R39 PolarHBondContact O-N 3.02Å; R39-L41 PolarHBondContact O-N 2.82Å |
| 40 | N | 35.8 | Very low | 35.1 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -62 | 106.9 | 159.1 | -77.3 | -44 | 0 | 0 | 0 | 109.3 | ||||
| 41 | L | 31.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -107.3 | 105 | 161.2 | -85.3 | 167 | 0 | 0 | 0 | 108.2 | R39 L43 | R39-L41 PolarHBondContact O-N 2.82Å; L41-L43 PolarHBondContact O-N 2.84Å | ||
| 42 | R | 41.6 | Very low | 34.8 | Very low | 223 Ų | 223 | 156.1 Ų | 156.1 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | trans | -65.3 | 126.3 | 157.8 | -71.6 | 179.7 | 176.8 | 146.8 | -4.4 | 107.4 | ||||
| 43 | L | 31.3 | Very low | 34.8 | Very low | 143 Ų | 143 | 149 Ų | 149 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | trans | -129.1 | 90 | 158.3 | -77.9 | 177.8 | 0 | 0 | 0 | 108.1 | L41 T45 | L41-L43 PolarHBondContact O-N 2.84Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.66Å | ||
| 44 | D | 37.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | -68.6 | 86.1 | 167.7 | -68.6 | -89.8 | 0 | 0 | 0 | 109.8 | ||||
| 45 | T | 32.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 72% | 0.724 | 83% | 0.827 | S | S | * | * | trans | -122.9 | 80.3 | 167.9 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | L43 M47 | L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.66Å; T45-M47 PolarHBondContact O-N 3.39Å | ||
| 46 | K | 36.4 | Very low | 35.4 | Very low | 198 Ų | 198 | 161 Ų | 161 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -65.7 | 117.6 | 164.6 | 173.6 | -174.2 | 178.5 | -178.1 | 0 | 109.3 | ||||
| 47 | M | 27.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 163.4 Ų | 163.4 | 83% | 0.833 | 83% | 0.833 | S | S | * | * | trans | -123.6 | 129.6 | 162.2 | -80.1 | -60.7 | -65.3 | 0 | 0 | 109.6 | T45 | T45-M47 PolarHBondContact O-N 3.39Š| ||
| 48 | P | 37.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 161.1 Ų | 161.1 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -88.7 | 168.3 | 180 | 37.1 | -35.6 | 0 | 0 | 0 | 111.8 | ||||
| 49 | G | 39.5 | Very low | 35.4 | Very low | 76 Ų | 76 | 164.2 Ų | 164.2 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 123.2 | 30.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 50 | E | 33.6 | Very low | 35.7 | Very low | 196 Ų | 196 | 162.8 Ų | 162.8 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -144.8 | 33.7 | 168.4 | -124.3 | 174.4 | -171.3 | 0 | 0 | 113.2 | ||
| 51 | Q | 35.9 | Very low | 35.6 | Very low | 181 Ų | 181 | 161.7 Ų | 161.7 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -126.2 | 41.7 | -179.8 | -69.5 | -176.5 | -27.1 | 0 | 0 | 112.3 | ||||
| 52 | Q | 35.1 | Very low | 35.6 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -139.3 | 67.6 | 172.4 | -72.5 | -173.3 | -39.3 | 0 | 0 | 109.3 | ||
| 53 | A | 37 | Very low | 35.2 | Very low | 95 Ų | 95 | 161.7 Ų | 161.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -162.1 | -20.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 54 | E | 35.9 | Very low | 35.1 | Very low | 188 Ų | 188 | 163.6 Ų | 163.6 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -119.9 | 8.9 | -174.5 | -63.2 | -157.1 | 155.8 | 0 | 0 | 114.9 | ||
| 55 | E | 38.3 | Very low | 34.7 | Very low | 172 Ų | 172 | 163.7 Ų | 163.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -108.1 | -13.6 | -178.9 | -66.8 | -169.2 | 138.5 | 0 | 0 | 115.3 | ||
| 56 | E | 34.6 | Very low | 34.5 | Very low | 201 Ų | 201 | 163.6 Ų | 163.6 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 2.4 | -177.3 | -65.5 | -175.1 | 151 | 0 | 0 | 115.2 | ||
| 57 | E | 35.8 | Very low | 34.2 | Very low | 177 Ų | 177 | 160.4 Ų | 160.4 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 15.1 | -177.2 | -141.9 | -176.9 | -146.3 | 0 | 0 | 114.3 | ||
| 58 | E | 35.8 | Very low | 34.3 | Very low | 144 Ų | 144 | 160.6 Ų | 160.6 | 67% | 0.673 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -115.3 | -2.9 | 176.2 | -68.8 | -152.3 | 156.4 | 0 | 0 | 116.5 | ||
| 59 | E | 36.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 161.6 Ų | 161.6 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -85.8 | -28.2 | -179.8 | -70.2 | -151.9 | 122.8 | 0 | 0 | 116 | M61 | E59-M61 PolarHBondContact O-N 3.15Š|
| 60 | E | 39.5 | Very low | 33.8 | Very low | 198 Ų | 198 | 165.8 Ų | 165.8 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -77.5 | 58.3 | -175.5 | -160.9 | -173.2 | -164.2 | 0 | 0 | 113.3 | ||
| 61 | M | 33.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 160 Ų | 160 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | trans | -157.6 | 40.3 | 171.4 | -144.8 | -178.5 | -59.2 | 0 | 0 | 114.9 | E59 | E59-M61 PolarHBondContact O-N 3.15Š| ||
| 62 | Q | 33.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 158.4 Ų | 158.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -116.6 | 156.8 | 164.4 | -60 | -168.6 | 78.4 | 0 | 0 | 108.7 | ||||
| 63 | E | 32.1 | Very low | 33.4 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | 70.2 | 129.5 | -154 | -52.1 | 172.6 | -166.6 | 0 | 0 | 111 | ||||
| 64 | E | 29.8 | Very low | 33.1 | Very low | 182 Ų | 182 | 160.6 Ų | 160.6 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | cis | -104.4 | 132.4 | 16.2 | -177.9 | -177.2 | -147.7 | 0 | 0 | 112.9 | V66 | E64-V66 HydrophobicContact CG-CG2 4.21Š| ||
| 65 | M | 28.1 | Very low | 33 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -138.7 | 82.8 | 174.3 | -176 | -176.8 | 67.8 | 0 | 0 | 110.5 | L67 | M65-L67 HydrophobicContact CE-CD1 4.4Å; M65-L67 HydrophobicContact CE-CG 4.36Å; M65-L67 PolarHBondContact O-N 3.16Å | ||
| 66 | V | 29.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | -72.5 | 109.4 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | E64 | E64-V66 HydrophobicContact CG-CG2 4.21Š| ||
| 67 | L | 28.8 | Very low | 32.9 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 124.8 | 172.3 | -73.7 | 165.5 | 0 | 0 | 0 | 109.9 | M65 V69 | M65-L67 HydrophobicContact CE-CD1 4.4Å; M65-L67 HydrophobicContact CE-CG 4.36Å; M65-L67 PolarHBondContact O-N 3.16Å; L67-V69 PolarHBondContact O-N 2.94Å | ||
| 68 | L | 30.9 | Very low | 32.7 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -78 | 103 | 164.2 | -71 | 173.4 | 0 | 0 | 0 | 108.8 | ||||
| 69 | V | 32.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 155.5 Ų | 155.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 137.1 | 166.4 | 180 | 0 | 0 | 0 | 0 | 108.5 | L67 | L67-V69 PolarHBondContact O-N 2.94Š| ||
| 70 | K | 32 | Very low | 32 | Very low | 164 Ų | 164 | 156.8 Ų | 156.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 133.9 | 171 | -85.2 | -176.7 | 136 | -145.1 | 0 | 110.3 | E72 | K70-E72 IonicContact NZ-OE1 3.31Å; K70-E72 PolarHBondContact NZ-OE1 3.28Å; K70-E72 IonicContact NZ-OE2 3.94Å | ||
| 71 | G | 31.2 | Very low | 31.5 | Very low | 76 Ų | 76 | 155.2 Ų | 155.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -117.9 | 123.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 72 | E | 33.7 | Very low | 31.3 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -111.3 | 153.6 | 156.4 | -70.7 | 153.1 | 175 | 0 | 0 | 103.5 | K70 | K70-E72 IonicContact NZ-OE1 3.31Å; K70-E72 PolarHBondContact NZ-OE1 3.28Å; K70-E72 IonicContact NZ-OE2 3.94Å | ||
| 73 | E | 32.7 | Very low | 31.2 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | cis | -141 | 167.8 | 9.1 | -51.4 | 167.1 | 127 | 0 | 0 | 106.3 | ||||
| 74 | D | 29.1 | Very low | 31.1 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | -157.1 | -156.7 | -5.5 | -151.8 | -30.5 | 0 | 0 | 0 | 108.7 | ||||
| 75 | E | 34 | Very low | 31 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 60.2 | 97.8 | 164.3 | -63.9 | -155.8 | 146.6 | 0 | 0 | 119.2 | ||||
| 76 | G | 42.4 | Very low | 30.9 | Very low | 82 Ų | 82 | 151.2 Ų | 151.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | S | Bend | 108.1 | -4.7 | 110.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||
| 77 | E | 29.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -150.1 | 117.8 | 171.7 | -121.3 | 179.1 | -145.3 | 0 | 0 | 113.6 | K79 | E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.46Å | ||
| 78 | E | 31.5 | Very low | 30.9 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -74 | 75.5 | 174.5 | -77.6 | -160.7 | 133.1 | 0 | 0 | 111.6 | Y80 | E78-Y80 HydrophobicContact CB-CD1 4.48Å; E78-Y80 HydrophobicContact CB-CE1 4.37Å; E78-Y80 WeakPolarHBondContact O-CD1 3.16Å; E78-Y80 WeakPolarHBondContact O-CE1 3.16Å; E78-Y80 PolarHBondContact O-N 3.15Å; E78-Y80 VanDerWaalsContact O-N 3.13Å | ||
| 79 | K | 27.5 | Very low | 31.1 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 83.1 | -178.2 | -162.4 | 171.6 | -174.5 | 173.6 | 0 | 112.6 | E77 E81 | E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.46Å; K79-E81 PolarHBondContact O-N 3.04Å | ||
| 80 | Y | 30.2 | Very low | 31.1 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 93.7 | 176.3 | 27.8 | -100 | 0 | 0 | 0 | 113 | E78 V82 | E78-Y80 HydrophobicContact CB-CD1 4.48Å; E78-Y80 HydrophobicContact CB-CE1 4.37Å; E78-Y80 WeakPolarHBondContact O-CD1 3.16Å; E78-Y80 WeakPolarHBondContact O-CE1 3.16Å; E78-Y80 PolarHBondContact O-N 3.15Å; E78-Y80 VanDerWaalsContact O-N 3.13Å; Y80-V82 PolarHBondContact O-N 3.34Å | ||
| 81 | E | 28.1 | Very low | 31.2 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -68.5 | 116.1 | 167.2 | -70.7 | -149.1 | 140.7 | 0 | 0 | 111.5 | K79 V83 | K79-E81 PolarHBondContact O-N 3.04Å; E81-V83 PolarHBondContact O-N 2.95Å | ||
| 82 | V | 30.1 | Very low | 31.8 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 83.1 | -179.7 | -175.9 | 0 | 0 | 0 | 0 | 110 | Y80 K84 | Y80-V82 PolarHBondContact O-N 3.34Å; V82-K84 HydrophobicContact CG1-CG 4.45Å; V82-K84 PolarHBondContact O-N 2.96Å | ||
| 83 | V | 31.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 101.6 | 170.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | E81 L85 | E81-V83 PolarHBondContact O-N 2.95Å; V83-L85 HydrophobicContact CG1-CG 4.4Å; V83-L85 PolarHBondContact O-N 3.28Å | ||
| 84 | K | 28.5 | Very low | 31.5 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 71.3 | -178.9 | -70.4 | 178 | -178.6 | 170.5 | 0 | 111.9 | V82 K86 | V82-K84 HydrophobicContact CG1-CG 4.45Å; V82-K84 PolarHBondContact O-N 2.96Å; K84-K86 PolarHBondContact O-N 3.35Å | ||
| 85 | L | 28.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 153 Ų | 153 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -62.1 | 106 | 164.9 | -75.8 | 172.5 | 0 | 0 | 0 | 109.2 | V83 I87 | V83-L85 HydrophobicContact CG1-CG 4.4Å; V83-L85 PolarHBondContact O-N 3.28Å; L85-I87 VanDerWaalsContact C-N 3.33Å; L85-I87 PolarHBondContact O-N 3.34Å | ||
| 86 | K | 27 | Very low | 32.7 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 90.3 | 171.7 | -69.1 | 179.3 | 179.8 | 176.7 | 0 | 109.1 | K84 P88 | K84-K86 PolarHBondContact O-N 3.35Å; K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.42Å | ||
| 87 | I | 30 | Very low | 32.1 | Very low | 131 Ų | 131 | 153 Ų | 153 | 67% | 0.672 | 78% | 0.777 | S | S | * | * | trans | -79.4 | 115.1 | 166.3 | -60.2 | 170.3 | 0 | 0 | 0 | 107 | L85 M89 | L85-I87 VanDerWaalsContact C-N 3.33Å; L85-I87 PolarHBondContact O-N 3.34Å; I87-M89 HydrophobicContact CG2-CG 4.21Å; I87-M89 PolarHBondContact O-N 3.42Å; I87-M89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | P | 28.5 | Very low | 32.7 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 116.9 | 171.4 | -17.6 | 32.7 | 0 | 0 | 0 | 108.8 | K86 | K86-P88 VanDerWaalsContact O-CD 3.32Å; K86-P88 WeakPolarHBondContact O-CD 3.42Å | ||
| 89 | M | 33.7 | Very low | 33 | Very low | 149 Ų | 149 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -106.4 | 70 | 174.2 | -66.4 | -143 | 74.4 | 0 | 0 | 109.1 | I87 N91 | I87-M89 HydrophobicContact CG2-CG 4.21Å; I87-M89 PolarHBondContact O-N 3.42Å; I87-M89 VanDerWaalsContact O-N 3.16Å; M89-N91 VanDerWaalsContact C-N 3.26Å; M89-N91 PolarHBondContact O-N 2.91Å | ||
| 90 | D | 32.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -67.5 | 82.4 | 178.4 | -66.3 | -62.5 | 0 | 0 | 0 | 111.4 | ||||
| 91 | N | 35 | Very low | 34.7 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -105 | 62.8 | -175.9 | -159.4 | 39.1 | 0 | 0 | 0 | 111.3 | M89 | M89-N91 VanDerWaalsContact C-N 3.26Å; M89-N91 PolarHBondContact O-N 2.91Å | ||
| 92 | K | 44.2 | Very low | 35.5 | Very low | 179 Ų | 179 | 137 Ų | 137 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | 48.2 | 112.1 | 166.8 | -65.6 | 177.2 | 176.6 | 173.8 | 0 | 118.1 | ||||
| 93 | E | 29.1 | Very low | 36.6 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -112.7 | 177.9 | 130.7 | -67.6 | -164.2 | 106.5 | 0 | 0 | 109.7 | ||||
| 94 | V | 31 | Very low | 38.2 | Very low | 135 Ų | 135 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -112.4 | -172.8 | -164.2 | -139.1 | 0 | 0 | 0 | 0 | 111.5 | G96 | V94-G96 PolarHBondContact O-N 2.83Š| ||
| 95 | P | 48.3 | Very low | 40 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -81.6 | 122 | -135.4 | 36.1 | -23.1 | 0 | 0 | 0 | 113.5 | ||||
| 96 | G | 39.3 | Very low | 42.4 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | -155.2 | 131.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V94 | V94-G96 PolarHBondContact O-N 2.83Š| ||
| 97 | E | 29.9 | Very low | 45 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | trans | 46.1 | 114.9 | 160.5 | -55 | -171.6 | 136.9 | 0 | 0 | 118.4 | ||||
| 98 | A | 42.3 | Very low | 47.6 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A100 | A98-A100 PolarHBondContact O-N 2.85Š|
| 99 | P | 38.8 | Very low | 50.5 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.9 | 175.1 | 25.7 | -33.6 | 0 | 0 | 0 | 109.8 | ||
| 100 | A | 45.2 | Very low | 53.1 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 145.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A98 S102 | A98-A100 PolarHBondContact O-N 2.85Å; A100-S102 PolarHBondContact O-N 3.26Å |
| 101 | P | 48.1 | Very low | 55.9 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -71.6 | 92 | -175.3 | 29.3 | -35.3 | 0 | 0 | 0 | 111.3 | A103 | P101-A103 PolarHBondContact O-N 2.5Å; P101-A103 VanDerWaalsContact O-N 3.17Å | ||
| 102 | S | 43.7 | Very low | 58.4 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | trans | -63.2 | 113 | 160.7 | 45.5 | 0 | 0 | 0 | 0 | 108.6 | A100 D104 | A100-S102 PolarHBondContact O-N 3.26Å; S102-D104 VanDerWaalsContact C-N 3.28Å; S102-D104 PolarHBondContact O-N 3.39Å | ||
| 103 | A | 54.9 | Low | 60.4 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | trans | -74.2 | 81.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P101 P105 | P101-A103 PolarHBondContact O-N 2.5Å; P101-A103 VanDerWaalsContact O-N 3.17Å; A103-P105 WeakPolarHBondContact O-CD 3.41Å; A103-P105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | D | 64 | Low | 63.3 | Low | 78 Ų | 78 | 96.6 Ų | 96.6 | 42% | 0.417 | 63% | 0.625 | S | S | . | * | trans | -52.1 | 113 | 165.1 | 175.5 | -4.8 | 0 | 0 | 0 | 108.6 | S102 A106 R107 | S102-D104 VanDerWaalsContact C-N 3.28Å; S102-D104 PolarHBondContact O-N 3.39Å; D104-A106 PolarHBondContact O-N 2.84Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 PolarHBondContact OD1-N 3.27Å; D104-R107 HydrophobicContact CB-CB 4.48Å; D104-R107 CarbonylContact O-C 3.5Å; D104-R107 PolarHBondContact O-N 3.27Å; D104-R107 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 105 | P | 67.1 | Low | 65.9 | Low | 124 Ų | 124 | 93 Ų | 93 | 81% | 0.805 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -18.5 | -169.3 | 25.5 | -34.3 | 0 | 0 | 0 | 113 | A103 R107 | A103-P105 WeakPolarHBondContact O-CD 3.41Å; A103-P105 VanDerWaalsContact O-N 3.12Å; P105-R107 VanDerWaalsContact C-N 3.26Å; P105-R107 PolarHBondContact O-N 3.2Å |
| 106 | A | 76.8 | Confident | 67.8 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -10.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D104 A119 | D104-A106 PolarHBondContact O-N 2.84Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 PolarHBondContact OD1-N 3.27Å; A106-A119 WeakPolarHBondContact O-CA 3.5Å; A106-A119 VanDerWaalsContact O-CB 3.27Å; A106-A119 WeakPolarHBondContact O-CB 3.29Å |
| 107 | R | 82.1 | Confident | 70.3 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | trans | -138.8 | 50.2 | -167.7 | -49.6 | -175.7 | 74.4 | 148.5 | 6.5 | 114.1 | D104 P105 H109 A117 F118 | D104-R107 HydrophobicContact CB-CB 4.48Å; D104-R107 CarbonylContact O-C 3.5Å; D104-R107 PolarHBondContact O-N 3.27Å; D104-R107 WeakPolarHBondContact OD2-CD 3.3Å; P105-R107 VanDerWaalsContact C-N 3.26Å; P105-R107 PolarHBondContact O-N 3.2Å; R107-H109 PolarHBondContact O-N 3.3Å; R107-A117 HydrophobicContact CB-CB 3.74Å; R107-A117 VanDerWaalsContact CZ-O 3.31Å; R107-A117 PolarHBondContact NE-O 3.2Å; R107-A117 PolarHBondContact NH2-O 3.36Å; R107-F118 CarbonylContact C-O 3.55Å; R107-F118 VanDerWaalsContact C-O 3.24Å; R107-F118 WeakPolarHBondContact CA-O 3.36Å | ||
| 108 | P | 85.1 | Confident | 73.2 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | B | Isolated β-bridge | trans | -66.2 | -7 | -168.4 | 28.7 | -38 | 0 | 0 | 0 | 116.1 | ||
| 109 | H | 88.4 | Confident | 75.5 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 30% | 0.296 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 91.1 | -177.5 | -55.5 | -60.5 | 0 | 0 | 0 | 111.8 | R107 F118 R121 L124 | R107-H109 PolarHBondContact O-N 3.3Å; H109-F118 HydrophobicContact CB-CB 4.36Å; H109-F118 WeakPolarHBondContact CB-O 3.49Å; H109-F118 PolarHBondContact N-O 3.09Å; H109-F118 WeakPolarHBondContact O-CB 3.1Å; H109-F118 PolarHBondContact O-N 3.47Å; H109-R121 PolarHBondContact CD2-N 2.87Å; H109-R121 PolarHBondContact NE2-N 2.94Å; H109-L124 HydrophobicContact CB-CB 4.25Å; H109-L124 HydrophobicContact CB-CD2 3.87Å |
| 110 | A | 89.9 | Confident | 78 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 147 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R116 L124 | A110-R116 CarbonylContact C-O 3.47Å; A110-L124 WeakPolarHBondContact O-CD2 3.37Å |
| 111 | C | 90.9 | Very high | 80.1 | Confident | 2 Ų | 2 | 90.7 Ų | 90.7 | 1% | 0.014 | 53% | 0.527 | C | S | . | . | trans | -89 | 125.5 | 169.8 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | D113 C114 G115 R116 F118 L124 H131 | C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 PolarHBondContact O-N 3.09Å; C111-D113 PolarHBondContact SG-OD2 2.88Å; C111-C114 VanDerWaalsContact SG-SG 3.62Å; C111-G115 VanDerWaalsContact O-CA 3.28Å; C111-G115 WeakPolarHBondContact O-CA 3.29Å; C111-G115 PolarHBondContact O-N 2.88Å; C111-R116 PolarHBondContact N-O 2.99Å; C111-F118 HydrophobicContact CB-CE2 4.37Å; C111-L124 HydrophobicContact CB-CD1 3.54Å; C111-H131 VanDerWaalsContact SG-CD2 3.59Å; C111-H131 PolarHBondContact SG-NE2 3.25Å; C111-H131 VanDerWaalsContact SG-NE2 3.4Å | ||
| 112 | P | 87.1 | Confident | 82 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 77% | 0.773 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -34.5 | -177.6 | 27.1 | -34.3 | 0 | 0 | 0 | 112.4 | C114 | P112-C114 VanDerWaalsContact C-N 3.29Å; P112-C114 PolarHBondContact O-N 2.85Å |
| 113 | D | 86.8 | Confident | 84.2 | Confident | 106 Ų | 106 | 85.2 Ų | 85.2 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.2 | -173.3 | -40.7 | -79 | 0 | 0 | 0 | 114 | C111 H131 | C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 PolarHBondContact O-N 3.09Å; C111-D113 PolarHBondContact SG-OD2 2.88Å; D113-H131 HydrophobicContact CB-CB 4.37Å; D113-H131 IonicContact OD2-CD2 3.47Å; D113-H131 PolarHBondContact OD2-CD2 3.23Å |
| 114 | C | 89.7 | Confident | 85.9 | Confident | 64 Ų | 64 | 82.4 Ų | 82.4 | 43% | 0.432 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.4 | 9.9 | -175.2 | 71.3 | 0 | 0 | 0 | 0 | 115.6 | C111 P112 R116 H127 H131 | C111-C114 VanDerWaalsContact SG-SG 3.62Å; P112-C114 VanDerWaalsContact C-N 3.29Å; P112-C114 PolarHBondContact O-N 2.85Å; C114-R116 PolarHBondContact O-N 3.24Å; C114-R116 VanDerWaalsContact SG-CB 3.57Å; C114-H127 PolarHBondContact SG-NE2 3.1Å; C114-H131 PolarHBondContact SG-NE2 2.8Å |
| 115 | G | 85.4 | Confident | 87 | Confident | 61 Ų | 61 | 81 Ų | 81 | 63% | 0.629 | 46% | 0.462 | S | S | * | . | trans | 66.1 | -3.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | C111 A117 | C111-G115 VanDerWaalsContact O-CA 3.28Å; C111-G115 WeakPolarHBondContact O-CA 3.29Å; C111-G115 PolarHBondContact O-N 2.88Å; G115-A117 PolarHBondContact O-N 2.96Å | ||
| 116 | R | 87.8 | Confident | 88.1 | Confident | 159 Ų | 159 | 80.2 Ų | 80.2 | 60% | 0.6 | 45% | 0.446 | S | S | * | . | trans | -73.3 | 128.9 | -167.5 | -163.2 | 173.3 | -164.8 | 174.8 | 5.5 | 112.4 | A110 C111 C114 F118 | A110-R116 CarbonylContact C-O 3.47Å; C111-R116 PolarHBondContact N-O 2.99Å; C114-R116 PolarHBondContact O-N 3.24Å; C114-R116 VanDerWaalsContact SG-CB 3.57Å; R116-F118 HydrophobicContact CB-CE2 3.98Å; R116-F118 HydrophobicContact CB-CZ 4.45Å; R116-F118 HydrophobicContact CG-CE2 4Å; R116-F118 HydrophobicContact CG-CZ 4.1Å; R116-F118 WeakPolarHBondContact O-CD2 3.21Å; R116-F118 WeakPolarHBondContact O-CE2 3.48Å | ||
| 117 | A | 91.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R107 G115 | R107-A117 HydrophobicContact CB-CB 3.74Å; R107-A117 VanDerWaalsContact CZ-O 3.31Å; R107-A117 PolarHBondContact NE-O 3.2Å; R107-A117 PolarHBondContact NH2-O 3.36Å; G115-A117 PolarHBondContact O-N 2.96Å |
| 118 | F | 91.2 | Very high | 89 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.7 | -175.1 | -65.5 | -92.3 | 0 | 0 | 0 | 112.5 | R107 H109 C111 R116 L124 H127 | R107-F118 CarbonylContact C-O 3.55Å; R107-F118 VanDerWaalsContact C-O 3.24Å; R107-F118 WeakPolarHBondContact CA-O 3.36Å; H109-F118 HydrophobicContact CB-CB 4.36Å; H109-F118 WeakPolarHBondContact CB-O 3.49Å; H109-F118 PolarHBondContact N-O 3.09Å; H109-F118 WeakPolarHBondContact O-CB 3.1Å; H109-F118 PolarHBondContact O-N 3.47Å; C111-F118 HydrophobicContact CB-CE2 4.37Å; R116-F118 HydrophobicContact CB-CE2 3.98Å; R116-F118 HydrophobicContact CB-CZ 4.45Å; R116-F118 HydrophobicContact CG-CE2 4Å; R116-F118 HydrophobicContact CG-CZ 4.1Å; R116-F118 WeakPolarHBondContact O-CD2 3.21Å; R116-F118 WeakPolarHBondContact O-CE2 3.48Å; F118-L124 HydrophobicContact CB-CB 4.18Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.96Å; F118-L124 HydrophobicContact CE2-CD1 4.24Å; F118-L124 HydrophobicContact CG-CB 4.23Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.19Å; F118-H127 AromaticContact CE2-CD2 3.24Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.34Å; F118-H127 AromaticContact CE2-CG 3.94Å; F118-H127 HydrophobicContact CZ-CB 3.64Å; F118-H127 AromaticContact CZ-CD2 3.19Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.38Å; F118-H127 AromaticContact CZ-CG 3.47Å; F118-H127 VanDerWaalsContact CZ-CG 3.47Å; F118-H127 AromaticContact CZ-NE2 3.98Å |
| 119 | A | 91.1 | Very high | 89.2 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -73.7 | -22.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A106 | A106-A119 WeakPolarHBondContact O-CA 3.5Å; A106-A119 VanDerWaalsContact O-CB 3.27Å; A106-A119 WeakPolarHBondContact O-CB 3.29Å |
| 120 | R | 91 | Very high | 89.2 | Confident | 169 Ų | 169 | 74.9 Ų | 74.9 | 64% | 0.638 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -135.3 | 132.8 | -176.4 | -59.8 | -179.9 | -175.2 | 160.1 | 2.9 | 110.4 | S122 T123 L124 | R120-S122 PolarHBondContact O-N 3.39Å; R120-S122 VanDerWaalsContact O-N 3.08Å; R120-T123 HydrophobicContact CB-CG2 4.37Å; R120-T123 PolarHBondContact O-N 3.03Å; R120-T123 PolarHBondContact O-OG1 3.41Å; R120-L124 PolarHBondContact O-N 2.82Å |
| 121 | R | 89.2 | Confident | 89.1 | Confident | 196 Ų | 196 | 76.1 Ų | 76.1 | 74% | 0.74 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.2 | -30.9 | 178.2 | -170.4 | 178.4 | -179.8 | -172.5 | 1.2 | 112.6 | H109 L124 A125 | H109-R121 PolarHBondContact CD2-N 2.87Å; H109-R121 PolarHBondContact NE2-N 2.94Å; R121-L124 PolarHBondContact O-N 2.84Å; R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 2.7Å |
| 122 | S | 88.6 | Confident | 89 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 49% | 0.49 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 174.7 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | R120 K126 | R120-S122 PolarHBondContact O-N 3.39Å; R120-S122 VanDerWaalsContact O-N 3.08Å; S122-K126 VanDerWaalsContact O-CG 3.26Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.14Å |
| 123 | T | 89.2 | Confident | 89 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -79.6 | -35.3 | 174.7 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | R120 K126 H127 | R120-T123 HydrophobicContact CB-CG2 4.37Å; R120-T123 PolarHBondContact O-N 3.03Å; R120-T123 PolarHBondContact O-OG1 3.41Å; T123-K126 PolarHBondContact O-N 3.15Å; T123-H127 WeakPolarHBondContact O-CB 3.42Å; T123-H127 PolarHBondContact O-N 3.16Å |
| 124 | L | 91 | Very high | 89.1 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 166.6 | 173.9 | 59.2 | 0 | 0 | 0 | 111.5 | H109 A110 C111 F118 R120 R121 K126 H127 A128 | H109-L124 HydrophobicContact CB-CB 4.25Å; H109-L124 HydrophobicContact CB-CD2 3.87Å; A110-L124 WeakPolarHBondContact O-CD2 3.37Å; C111-L124 HydrophobicContact CB-CD1 3.54Å; F118-L124 HydrophobicContact CB-CB 4.18Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.96Å; F118-L124 HydrophobicContact CE2-CD1 4.24Å; F118-L124 HydrophobicContact CG-CB 4.23Å; R120-L124 PolarHBondContact O-N 2.82Å; R121-L124 PolarHBondContact O-N 2.84Å; L124-K126 PolarHBondContact O-N 3.26Å; L124-H127 CarbonylContact O-C 3.21Å; L124-H127 WeakPolarHBondContact O-CA 3.42Å; L124-H127 WeakPolarHBondContact O-CB 3.46Å; L124-H127 PolarHBondContact O-N 2.89Å; L124-A128 PolarHBondContact O-N 2.84Å |
| 125 | A | 87.3 | Confident | 89.1 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R121 H127 | R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 2.7Å; A125-H127 VanDerWaalsContact C-N 3.27Å; A125-H127 PolarHBondContact O-N 2.7Å |
| 126 | K | 89.2 | Confident | 89.4 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -32 | 169.7 | -74.1 | 170.5 | -175.2 | -179.9 | 0 | 111.9 | S122 T123 L124 | S122-K126 VanDerWaalsContact O-CG 3.26Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.14Å; T123-K126 PolarHBondContact O-N 3.15Å; L124-K126 PolarHBondContact O-N 3.26Å |
| 127 | H | 89.6 | Confident | 89.6 | Confident | 27 Ų | 27 | 75 Ų | 75 | 13% | 0.125 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -78.1 | -43.6 | 178.4 | 173 | 38.5 | 0 | 0 | 0 | 113.4 | C114 F118 T123 L124 A125 R129 T130 H131 | C114-H127 PolarHBondContact SG-NE2 3.1Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.19Å; F118-H127 AromaticContact CE2-CD2 3.24Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.34Å; F118-H127 AromaticContact CE2-CG 3.94Å; F118-H127 HydrophobicContact CZ-CB 3.64Å; F118-H127 AromaticContact CZ-CD2 3.19Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.38Å; F118-H127 AromaticContact CZ-CG 3.47Å; F118-H127 VanDerWaalsContact CZ-CG 3.47Å; F118-H127 AromaticContact CZ-NE2 3.98Å; T123-H127 WeakPolarHBondContact O-CB 3.42Å; T123-H127 PolarHBondContact O-N 3.16Å; L124-H127 CarbonylContact O-C 3.21Å; L124-H127 WeakPolarHBondContact O-CA 3.42Å; L124-H127 WeakPolarHBondContact O-CB 3.46Å; L124-H127 PolarHBondContact O-N 2.89Å; A125-H127 VanDerWaalsContact C-N 3.27Å; A125-H127 PolarHBondContact O-N 2.7Å; H127-R129 PolarHBondContact O-N 3.48Å; H127-T130 PolarHBondContact CE1-OG1 3.37Å; H127-T130 VanDerWaalsContact CE1-OG1 3.28Å; H127-T130 PolarHBondContact ND1-OG1 3.37Å; H127-T130 VanDerWaalsContact ND1-OG1 3.08Å; H127-T130 WeakPolarHBondContact O-CB 3.25Å; H127-T130 PolarHBondContact O-N 3.18Å; H127-T130 PolarHBondContact O-OG1 2.9Å; H127-H131 AromaticContact CE1-CE1 3.9Å; H127-H131 AromaticContact CE1-NE2 3.45Å; H127-H131 PolarHBondContact CE1-NE2 3.08Å; H127-H131 AromaticContact NE2-NE2 3.4Å; H127-H131 PolarHBondContact NE2-NE2 3.49Å |
| 128 | A | 88.6 | Confident | 89.6 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -52.7 | -30.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L124 T130 H131 T132 | L124-A128 PolarHBondContact O-N 2.84Å; A128-T130 PolarHBondContact O-N 3.18Å; A128-T130 VanDerWaalsContact O-N 3.1Å; A128-H131 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-N 3.32Å |
| 129 | R | 90.3 | Very high | 89.7 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 25% | 0.249 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.5 | 171.9 | -59.1 | -168.8 | 179.8 | 133.4 | 12.8 | 115.4 | H127 H131 G133 E134 S147 | H127-R129 PolarHBondContact O-N 3.48Å; R129-H131 VanDerWaalsContact C-N 3.33Å; R129-G133 CarbonylContact O-C 3.58Å; R129-G133 WeakPolarHBondContact O-CA 3.26Å; R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.16Å; R129-E134 HydrophobicContact CB-CB 3.94Å; R129-E134 HydrophobicContact CG-CB 3.74Å; R129-E134 IonicContact NE-OE2 3.33Å; R129-E134 PolarHBondContact NE-OE2 3.5Å; R129-E134 PolarHBondContact O-N 2.96Å; R129-S147 PolarHBondContact NH1-O 3.31Å |
| 130 | T | 88.2 | Confident | 89.7 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -20.5 | 171.9 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | H127 A128 | H127-T130 PolarHBondContact CE1-OG1 3.37Å; H127-T130 VanDerWaalsContact CE1-OG1 3.28Å; H127-T130 PolarHBondContact ND1-OG1 3.37Å; H127-T130 VanDerWaalsContact ND1-OG1 3.08Å; H127-T130 WeakPolarHBondContact O-CB 3.25Å; H127-T130 PolarHBondContact O-N 3.18Å; H127-T130 PolarHBondContact O-OG1 2.9Å; A128-T130 PolarHBondContact O-N 3.18Å; A128-T130 VanDerWaalsContact O-N 3.1Å |
| 131 | H | 88.2 | Confident | 89.7 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -47.9 | 175.8 | -53.6 | -51.6 | 0 | 0 | 0 | 110.8 | C111 D113 C114 H127 A128 R129 G133 | C111-H131 VanDerWaalsContact SG-CD2 3.59Å; C111-H131 PolarHBondContact SG-NE2 3.25Å; C111-H131 VanDerWaalsContact SG-NE2 3.4Å; D113-H131 HydrophobicContact CB-CB 4.37Å; D113-H131 IonicContact OD2-CD2 3.47Å; D113-H131 PolarHBondContact OD2-CD2 3.23Å; C114-H131 PolarHBondContact SG-NE2 2.8Å; H127-H131 AromaticContact CE1-CE1 3.9Å; H127-H131 AromaticContact CE1-NE2 3.45Å; H127-H131 PolarHBondContact CE1-NE2 3.08Å; H127-H131 AromaticContact NE2-NE2 3.4Å; H127-H131 PolarHBondContact NE2-NE2 3.49Å; A128-H131 PolarHBondContact O-N 3.45Å; R129-H131 VanDerWaalsContact C-N 3.33Å; H131-G133 PolarHBondContact O-N 3.37Å |
| 132 | T | 87.7 | Confident | 89.8 | Confident | 87 Ų | 87 | 70.1 Ų | 70.1 | 53% | 0.534 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -71.9 | -12.5 | 177 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | A128 E134 | A128-T132 PolarHBondContact O-N 3.32Å; T132-E134 PolarHBondContact O-N 2.96Å; T132-E134 WeakPolarHBondContact OG1-CB 3.45Å; T132-E134 WeakPolarHBondContact OG1-CG 3.27Å; T132-E134 PolarHBondContact OG1-N 3.24Å |
| 133 | G | 87.1 | Confident | 89.9 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | trans | 70.9 | 5.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | R129 H131 R135 | R129-G133 CarbonylContact O-C 3.58Å; R129-G133 WeakPolarHBondContact O-CA 3.26Å; R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.16Å; H131-G133 PolarHBondContact O-N 3.37Å; G133-R135 WeakPolarHBondContact O-CG 3.47Å; G133-R135 PolarHBondContact O-N 3.44Å | ||
| 134 | E | 89.8 | Confident | 90 | Very high | 96 Ų | 96 | 73.7 Ų | 73.7 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -53.5 | 121.2 | -177.3 | -97.2 | 179.4 | -135.8 | 0 | 0 | 113.2 | R129 T132 S147 | R129-E134 HydrophobicContact CB-CB 3.94Å; R129-E134 HydrophobicContact CG-CB 3.74Å; R129-E134 IonicContact NE-OE2 3.33Å; R129-E134 PolarHBondContact NE-OE2 3.5Å; R129-E134 PolarHBondContact O-N 2.96Å; T132-E134 PolarHBondContact O-N 2.96Å; T132-E134 WeakPolarHBondContact OG1-CB 3.45Å; T132-E134 WeakPolarHBondContact OG1-CG 3.27Å; T132-E134 PolarHBondContact OG1-N 3.24Å; E134-S147 VanDerWaalsContact O-CB 3.31Å; E134-S147 WeakPolarHBondContact O-CB 3.43Å | ||
| 135 | R | 89.9 | Confident | 90.1 | Very high | 127 Ų | 127 | 78.4 Ų | 78.4 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | trans | -130.1 | 75.2 | 178.3 | -70.4 | 160 | 75.6 | 175.3 | 1.3 | 110.1 | G133 F137 R145 F146 | G133-R135 WeakPolarHBondContact O-CG 3.47Å; G133-R135 PolarHBondContact O-N 3.44Å; R135-F137 PolarHBondContact O-N 3.14Å; R135-R145 HydrophobicContact CB-CB 3.64Å; R135-R145 VanDerWaalsContact CZ-O 3.23Å; R135-R145 PolarHBondContact NE-O 2.82Å; R135-R145 PolarHBondContact NH2-O 3.02Å; R135-R145 PolarHBondContact O-NE 2.88Å; R135-R145 PolarHBondContact O-NH2 3.28Å; R135-F146 CarbonylContact C-O 3.13Å; R135-F146 WeakPolarHBondContact CA-O 3.42Å | ||
| 136 | P | 90.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | trans | -60.6 | -42.8 | -173.7 | -24.4 | 35.5 | 0 | 0 | 0 | 112.8 | A138 R145 | P136-A138 PolarHBondContact O-N 3.1Å; P136-R145 PolarHBondContact O-NH2 3.34Å | ||
| 137 | F | 92.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 74.2 Ų | 74.2 | 31% | 0.307 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 111.1 | -169.2 | -51.6 | -82.4 | 0 | 0 | 0 | 111.3 | R135 R145 F146 K149 L152 | R135-F137 PolarHBondContact O-N 3.14Å; F137-R145 CarbonylContact O-C 3.44Å; F137-R145 VanDerWaalsContact O-CA 3.3Å; F137-R145 WeakPolarHBondContact O-CA 3.31Å; F137-F146 HydrophobicContact CB-CB 4.43Å; F137-F146 WeakPolarHBondContact CD2-O 3.47Å; F137-F146 PolarHBondContact N-O 3.15Å; F137-F146 VanDerWaalsContact N-O 3.09Å; F137-F146 PolarHBondContact O-N 3.3Å; F137-K149 HydrophobicContact CD1-CB 4.04Å; F137-K149 HydrophobicContact CE1-CB 3.86Å; F137-K149 HydrophobicContact CZ-CB 4.2Å; F137-L152 HydrophobicContact CB-CB 4.26Å; F137-L152 HydrophobicContact CB-CD2 3.88Å |
| 138 | A | 92.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 76.8 Ų | 76.8 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P136 R145 L152 | P136-A138 PolarHBondContact O-N 3.1Å; A138-R145 HydrophobicContact CB-CG 4.14Å; A138-L152 WeakPolarHBondContact O-CD2 3Å |
| 139 | C | 93.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 82.3 Ų | 82.3 | 5% | 0.047 | 43% | 0.434 | C | S | . | . | trans | -77.3 | 127.3 | 164.4 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | G143 R144 L152 H159 | C139-G143 WeakPolarHBondContact O-CA 3.36Å; C139-G143 PolarHBondContact O-N 2.92Å; C139-R144 WeakPolarHBondContact CB-O 3.33Å; C139-R144 PolarHBondContact N-O 3.12Å; C139-L152 HydrophobicContact CB-CD1 3.62Å; C139-H159 PolarHBondContact SG-NE2 3.31Å; C139-H159 VanDerWaalsContact SG-NE2 3.44Å | ||
| 140 | T | 91.3 | Very high | 90.4 | Very high | 142 Ų | 142 | 82 Ų | 82 | 87% | 0.871 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -37.7 | 178.2 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 141 | E | 90.3 | Very high | 90.4 | Very high | 123 Ų | 123 | 79.3 Ų | 79.3 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -25.7 | -172.8 | -61.1 | 168 | 117.3 | 0 | 0 | 113.9 | H159 | E141-H159 WeakPolarHBondContact OE2-CB 3.45Å; E141-H159 IonicContact OE2-CD2 2.71Å; E141-H159 PolarHBondContact OE2-CD2 3.46Å; E141-H159 IonicContact OE2-CG 3.69Å |
| 142 | C | 91.7 | Very high | 90.6 | Very high | 64 Ų | 64 | 77.3 Ų | 77.3 | 43% | 0.432 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | 9.6 | -176.8 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | R144 H155 H159 | C142-R144 PolarHBondContact O-N 2.63Å; C142-R144 WeakPolarHBondContact SG-CB 3.17Å; C142-H155 PolarHBondContact SG-NE2 3.37Å; C142-H159 PolarHBondContact SG-NE2 3.15Å; C142-H159 VanDerWaalsContact SG-NE2 3.42Å |
| 143 | G | 89.4 | Confident | 90.7 | Very high | 51 Ų | 51 | 76.8 Ų | 76.8 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | trans | 66.4 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | C139 R145 | C139-G143 WeakPolarHBondContact O-CA 3.36Å; C139-G143 PolarHBondContact O-N 2.92Å; G143-R145 WeakPolarHBondContact O-CG 3.44Å; G143-R145 PolarHBondContact O-N 2.9Å | ||
| 144 | R | 91.7 | Very high | 90.8 | Very high | 142 Ų | 142 | 79.6 Ų | 79.6 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | trans | -68.1 | 126.3 | -171.6 | -167.9 | 174.8 | -173 | 177.5 | 4.7 | 111.2 | C139 C142 F146 | C139-R144 WeakPolarHBondContact CB-O 3.33Å; C139-R144 PolarHBondContact N-O 3.12Å; C142-R144 PolarHBondContact O-N 2.63Å; C142-R144 WeakPolarHBondContact SG-CB 3.17Å; R144-F146 HydrophobicContact CB-CE2 4.09Å; R144-F146 HydrophobicContact CB-CZ 4.45Å; R144-F146 HydrophobicContact CG-CE2 3.9Å; R144-F146 HydrophobicContact CG-CZ 3.87Å; R144-F146 WeakPolarHBondContact O-CD2 3.35Å; R144-F146 WeakPolarHBondContact O-CE2 3.45Å | ||
| 145 | R | 92.4 | Very high | 90.8 | Very high | 131 Ų | 131 | 75.9 Ų | 75.9 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 152 | -175.4 | -50.8 | -169.8 | 70.6 | 127.8 | 6.5 | 113.8 | R135 P136 F137 A138 G143 | R135-R145 HydrophobicContact CB-CB 3.64Å; R135-R145 VanDerWaalsContact CZ-O 3.23Å; R135-R145 PolarHBondContact NE-O 2.82Å; R135-R145 PolarHBondContact NH2-O 3.02Å; R135-R145 PolarHBondContact O-NE 2.88Å; R135-R145 PolarHBondContact O-NH2 3.28Å; P136-R145 PolarHBondContact O-NH2 3.34Å; F137-R145 CarbonylContact O-C 3.44Å; F137-R145 VanDerWaalsContact O-CA 3.3Å; F137-R145 WeakPolarHBondContact O-CA 3.31Å; A138-R145 HydrophobicContact CB-CG 4.14Å; G143-R145 WeakPolarHBondContact O-CG 3.44Å; G143-R145 PolarHBondContact O-N 2.9Å |
| 146 | F | 91.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.2 | -176.7 | -61.6 | -92.4 | 0 | 0 | 0 | 111.5 | R135 F137 R144 A151 L152 H155 | R135-F146 CarbonylContact C-O 3.13Å; R135-F146 WeakPolarHBondContact CA-O 3.42Å; F137-F146 HydrophobicContact CB-CB 4.43Å; F137-F146 WeakPolarHBondContact CD2-O 3.47Å; F137-F146 PolarHBondContact N-O 3.15Å; F137-F146 VanDerWaalsContact N-O 3.09Å; F137-F146 PolarHBondContact O-N 3.3Å; R144-F146 HydrophobicContact CB-CE2 4.09Å; R144-F146 HydrophobicContact CB-CZ 4.45Å; R144-F146 HydrophobicContact CG-CE2 3.9Å; R144-F146 HydrophobicContact CG-CZ 3.87Å; R144-F146 WeakPolarHBondContact O-CD2 3.35Å; R144-F146 WeakPolarHBondContact O-CE2 3.45Å; F146-A151 HydrophobicContact CB-CB 4.35Å; F146-A151 HydrophobicContact CD1-CB 3.9Å; F146-A151 HydrophobicContact CG-CB 4.44Å; F146-L152 HydrophobicContact CB-CB 4.37Å; F146-L152 HydrophobicContact CD2-CB 4.03Å; F146-L152 HydrophobicContact CD2-CD1 3.94Å; F146-L152 HydrophobicContact CE2-CD1 4.09Å; F146-L152 HydrophobicContact CG-CB 4.28Å; F146-H155 HydrophobicContact CE1-CB 4.11Å; F146-H155 HydrophobicContact CE2-CB 4.14Å; F146-H155 AromaticContact CE2-CD2 3.29Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.38Å; F146-H155 AromaticContact CE2-CG 3.95Å; F146-H155 HydrophobicContact CZ-CB 3.62Å; F146-H155 AromaticContact CZ-CD2 3.23Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.48Å; F146-H155 VanDerWaalsContact CZ-CG 3.48Å |
| 147 | S | 91.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 70.5 Ų | 70.5 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -83.6 | -9.7 | 178.5 | 52.4 | 0 | 0 | 0 | 0 | 114 | R129 E134 | R129-S147 PolarHBondContact NH1-O 3.31Å; E134-S147 VanDerWaalsContact O-CB 3.31Å; E134-S147 WeakPolarHBondContact O-CB 3.43Å |
| 148 | Q | 90.4 | Very high | 90.6 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -141.9 | 141.1 | -177.7 | -56.8 | -177.1 | 8 | 0 | 0 | 111.4 | S150 A151 L152 | Q148-S150 PolarHBondContact O-N 3.04Å; Q148-A151 HydrophobicContact CB-CB 4.38Å; Q148-A151 PolarHBondContact O-N 3.49Å; Q148-L152 PolarHBondContact O-N 3.42Å |
| 149 | K | 90.3 | Very high | 90.4 | Very high | 146 Ų | 146 | 72.6 Ų | 72.6 | 64% | 0.635 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 178.1 | -172.6 | -174.4 | 177.2 | -168.8 | 0 | 112.1 | F137 A151 L152 T153 | F137-K149 HydrophobicContact CD1-CB 4.04Å; F137-K149 HydrophobicContact CE1-CB 3.86Å; F137-K149 HydrophobicContact CZ-CB 4.2Å; K149-A151 PolarHBondContact O-N 3.11Å; K149-L152 WeakPolarHBondContact O-CA 3.47Å; K149-L152 WeakPolarHBondContact O-CB 3.42Å; K149-L152 PolarHBondContact O-N 3.35Å; K149-T153 PolarHBondContact O-N 2.68Å; K149-T153 PolarHBondContact O-OG1 2.63Å |
| 150 | S | 89 | Confident | 90.2 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.4 | -31.7 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | Q148 K154 | Q148-S150 PolarHBondContact O-N 3.04Å; S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 VanDerWaalsContact O-CG 3.29Å; S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.04Å |
| 151 | A | 89.1 | Confident | 90 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 31% | 0.306 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F146 Q148 K149 H155 | F146-A151 HydrophobicContact CB-CB 4.35Å; F146-A151 HydrophobicContact CD1-CB 3.9Å; F146-A151 HydrophobicContact CG-CB 4.44Å; Q148-A151 HydrophobicContact CB-CB 4.38Å; Q148-A151 PolarHBondContact O-N 3.49Å; K149-A151 PolarHBondContact O-N 3.11Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.24Å; A151-H155 VanDerWaalsContact O-N 3.15Å |
| 152 | L | 92.3 | Very high | 90 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.3 | -46 | 169.9 | 173.5 | 60.2 | 0 | 0 | 0 | 111 | F137 A138 C139 F146 Q148 K149 K154 H155 G156 | F137-L152 HydrophobicContact CB-CB 4.26Å; F137-L152 HydrophobicContact CB-CD2 3.88Å; A138-L152 WeakPolarHBondContact O-CD2 3Å; C139-L152 HydrophobicContact CB-CD1 3.62Å; F146-L152 HydrophobicContact CB-CB 4.37Å; F146-L152 HydrophobicContact CD2-CB 4.03Å; F146-L152 HydrophobicContact CD2-CD1 3.94Å; F146-L152 HydrophobicContact CE2-CD1 4.09Å; F146-L152 HydrophobicContact CG-CB 4.28Å; Q148-L152 PolarHBondContact O-N 3.42Å; K149-L152 WeakPolarHBondContact O-CA 3.47Å; K149-L152 WeakPolarHBondContact O-CB 3.42Å; K149-L152 PolarHBondContact O-N 3.35Å; L152-K154 PolarHBondContact O-N 2.71Å; L152-H155 CarbonylContact O-C 3.45Å; L152-H155 WeakPolarHBondContact O-CA 3.48Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.37Å; L152-G156 PolarHBondContact O-N 3.35Å |
| 153 | T | 89.4 | Confident | 90 | Very high | 76 Ų | 76 | 73.5 Ų | 73.5 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.2 | -46.5 | 0 | 0 | 0 | 0 | 111.5 | K149 H155 G156 | K149-T153 PolarHBondContact O-N 2.68Å; K149-T153 PolarHBondContact O-OG1 2.63Å; T153-H155 PolarHBondContact O-N 3.29Å; T153-G156 PolarHBondContact O-N 2.91Å |
| 154 | K | 88.6 | Confident | 90 | Very high | 106 Ų | 106 | 74 Ų | 74 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -16.9 | 176.5 | -70.1 | 171.4 | -177.5 | 178.4 | 0 | 112.9 | S150 L152 | S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 VanDerWaalsContact O-CG 3.29Å; S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.04Å; L152-K154 PolarHBondContact O-N 2.71Å |
| 155 | H | 90.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -88 | -36.7 | 170.4 | 174.3 | 40.3 | 0 | 0 | 0 | 113.6 | C142 F146 A151 L152 T153 R157 T158 H159 | C142-H155 PolarHBondContact SG-NE2 3.37Å; F146-H155 HydrophobicContact CE1-CB 4.11Å; F146-H155 HydrophobicContact CE2-CB 4.14Å; F146-H155 AromaticContact CE2-CD2 3.29Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.38Å; F146-H155 AromaticContact CE2-CG 3.95Å; F146-H155 HydrophobicContact CZ-CB 3.62Å; F146-H155 AromaticContact CZ-CD2 3.23Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.42Å; F146-H155 AromaticContact CZ-CG 3.48Å; F146-H155 VanDerWaalsContact CZ-CG 3.48Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.24Å; A151-H155 VanDerWaalsContact O-N 3.15Å; L152-H155 CarbonylContact O-C 3.45Å; L152-H155 WeakPolarHBondContact O-CA 3.48Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.37Å; T153-H155 PolarHBondContact O-N 3.29Å; H155-R157 PolarHBondContact O-N 3.38Å; H155-T158 PolarHBondContact CE1-OG1 3.41Å; H155-T158 PolarHBondContact ND1-OG1 3.02Å; H155-T158 WeakPolarHBondContact O-CB 3.28Å; H155-T158 PolarHBondContact O-N 3.05Å; H155-T158 PolarHBondContact O-OG1 3.29Å; H155-H159 AromaticContact CE1-CE1 3.84Å; H155-H159 AromaticContact CE1-NE2 3.41Å; H155-H159 PolarHBondContact CE1-NE2 3.15Å; H155-H159 AromaticContact NE2-NE2 3.43Å; H155-H159 PolarHBondContact NE2-NE2 2.92Å |
| 156 | G | 88.3 | Confident | 90.2 | Very high | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L152 T153 T158 H159 T160 | L152-G156 PolarHBondContact O-N 3.35Å; T153-G156 PolarHBondContact O-N 2.91Å; G156-T158 PolarHBondContact O-N 3.35Å; G156-H159 PolarHBondContact O-N 2.82Å; G156-T160 PolarHBondContact O-N 2.8Å |
| 157 | R | 90.7 | Very high | 90.4 | Very high | 53 Ų | 53 | 67.6 Ų | 67.6 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54.8 | -17.3 | 171.3 | -64.1 | -176.1 | 178.1 | 161.6 | 2.8 | 115.1 | H155 G161 E162 S175 | H155-R157 PolarHBondContact O-N 3.38Å; R157-G161 CarbonylContact O-C 3.52Å; R157-G161 WeakPolarHBondContact O-CA 3.4Å; R157-G161 PolarHBondContact O-N 3.42Å; R157-E162 HydrophobicContact CB-CB 4.07Å; R157-E162 HydrophobicContact CG-CB 3.95Å; R157-E162 IonicContact NE-OE2 2.77Å; R157-E162 PolarHBondContact O-N 2.82Å; R157-S175 PolarHBondContact NH1-O 3.38Å |
| 158 | T | 88.8 | Confident | 90.5 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.1 | -15.7 | 174.4 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | H155 G156 | H155-T158 PolarHBondContact CE1-OG1 3.41Å; H155-T158 PolarHBondContact ND1-OG1 3.02Å; H155-T158 WeakPolarHBondContact O-CB 3.28Å; H155-T158 PolarHBondContact O-N 3.05Å; H155-T158 PolarHBondContact O-OG1 3.29Å; G156-T158 PolarHBondContact O-N 3.35Å |
| 159 | H | 89.4 | Confident | 90.6 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -95.3 | -45.7 | 174.4 | -57.4 | -56.2 | 0 | 0 | 0 | 110.8 | C139 E141 C142 H155 G156 G161 | C139-H159 PolarHBondContact SG-NE2 3.31Å; C139-H159 VanDerWaalsContact SG-NE2 3.44Å; E141-H159 WeakPolarHBondContact OE2-CB 3.45Å; E141-H159 IonicContact OE2-CD2 2.71Å; E141-H159 PolarHBondContact OE2-CD2 3.46Å; E141-H159 IonicContact OE2-CG 3.69Å; C142-H159 PolarHBondContact SG-NE2 3.15Å; C142-H159 VanDerWaalsContact SG-NE2 3.42Å; H155-H159 AromaticContact CE1-CE1 3.84Å; H155-H159 AromaticContact CE1-NE2 3.41Å; H155-H159 PolarHBondContact CE1-NE2 3.15Å; H155-H159 AromaticContact NE2-NE2 3.43Å; H155-H159 PolarHBondContact NE2-NE2 2.92Å; G156-H159 PolarHBondContact O-N 2.82Å; H159-G161 PolarHBondContact O-N 3.46Å |
| 160 | T | 88.2 | Confident | 90.8 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.3 | -17 | 174.3 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | G156 E162 | G156-T160 PolarHBondContact O-N 2.8Å; T160-E162 WeakPolarHBondContact CB-OE1 3.49Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 WeakPolarHBondContact OG1-CB 3.32Å; T160-E162 VanDerWaalsContact OG1-CD 3.27Å; T160-E162 WeakPolarHBondContact OG1-CG 3.31Å; T160-E162 PolarHBondContact OG1-N 3.45Å; T160-E162 PolarHBondContact OG1-OE1 3.36Å |
| 161 | G | 87.8 | Confident | 91 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | trans | 76.7 | 3.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R157 H159 R163 | R157-G161 CarbonylContact O-C 3.52Å; R157-G161 WeakPolarHBondContact O-CA 3.4Å; R157-G161 PolarHBondContact O-N 3.42Å; H159-G161 PolarHBondContact O-N 3.46Å; G161-R163 WeakPolarHBondContact O-CG 3.48Å; G161-R163 PolarHBondContact O-N 3.43Å | ||
| 162 | E | 90.6 | Very high | 91.2 | Very high | 96 Ų | 96 | 72.6 Ų | 72.6 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | trans | -55 | 124.2 | -178.9 | -86.7 | 166.6 | -125.1 | 0 | 0 | 113.5 | R157 T160 | R157-E162 HydrophobicContact CB-CB 4.07Å; R157-E162 HydrophobicContact CG-CB 3.95Å; R157-E162 IonicContact NE-OE2 2.77Å; R157-E162 PolarHBondContact O-N 2.82Å; T160-E162 WeakPolarHBondContact CB-OE1 3.49Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 WeakPolarHBondContact OG1-CB 3.32Å; T160-E162 VanDerWaalsContact OG1-CD 3.27Å; T160-E162 WeakPolarHBondContact OG1-CG 3.31Å; T160-E162 PolarHBondContact OG1-N 3.45Å; T160-E162 PolarHBondContact OG1-OE1 3.36Å | ||
| 163 | R | 90.3 | Very high | 91.2 | Very high | 127 Ų | 127 | 76.1 Ų | 76.1 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | trans | -132.3 | 79.4 | 176.9 | -68 | 160.2 | 74.7 | 178.9 | 0.2 | 108.7 | G161 Y165 R173 F174 | G161-R163 WeakPolarHBondContact O-CG 3.48Å; G161-R163 PolarHBondContact O-N 3.43Å; R163-Y165 VanDerWaalsContact C-N 3.33Å; R163-Y165 PolarHBondContact O-N 3.42Å; R163-R173 HydrophobicContact CB-CB 3.58Å; R163-R173 PolarHBondContact NE-O 2.85Å; R163-R173 PolarHBondContact NH2-O 3.29Å; R163-R173 PolarHBondContact O-NE 3.23Å; R163-R173 PolarHBondContact O-NH2 3.46Å; R163-R173 VanDerWaalsContact O-NH2 3.16Å; R163-F174 CarbonylContact C-O 3.56Å; R163-F174 WeakPolarHBondContact CA-O 3.4Å | ||
| 164 | P | 91 | Very high | 91.3 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | trans | -65.1 | -33.8 | -174.2 | -23.7 | 35.6 | 0 | 0 | 0 | 113.7 | E166 F174 | P164-E166 PolarHBondContact O-N 3.32Å; P164-F174 WeakPolarHBondContact CD-O 3.23Å | ||
| 165 | Y | 92.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -90.8 | 104.2 | -169.5 | -50.9 | -86.3 | 0 | 0 | 0 | 110.7 | R163 R173 F174 A176 A177 | R163-Y165 VanDerWaalsContact C-N 3.33Å; R163-Y165 PolarHBondContact O-N 3.42Å; Y165-R173 CarbonylContact O-C 3.57Å; Y165-R173 WeakPolarHBondContact O-CA 3.41Å; Y165-F174 WeakPolarHBondContact CD2-O 3.38Å; Y165-F174 PolarHBondContact N-O 3.15Å; Y165-F174 VanDerWaalsContact N-O 3.08Å; Y165-F174 PolarHBondContact O-N 3.18Å; Y165-A176 VanDerWaalsContact CD2-CA 3.5Å; Y165-A176 VanDerWaalsContact CE2-CA 3.4Å; Y165-A177 HydrophobicContact CD1-CB 3.84Å; Y165-A177 HydrophobicContact CE1-CB 3.68Å; Y165-A177 HydrophobicContact CG-CB 4.41Å |
| 166 | E | 94.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 70.5 Ų | 70.5 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | trans | -87.7 | 151.5 | 179.7 | -163.8 | 146.5 | 147.2 | 0 | 0 | 112.5 | P164 R173 L180 | P164-E166 PolarHBondContact O-N 3.32Å; E166-R173 HydrophobicContact CB-CG 4.07Å; E166-R173 HydrophobicContact CG-CG 3.76Å; E166-R173 WeakPolarHBondContact OE2-CD 3.47Å; E166-R173 VanDerWaalsContact OE2-CG 3.24Å; E166-R173 WeakPolarHBondContact OE2-CG 3.3Å; E166-R173 IonicContact OE2-CZ 3.06Å; E166-R173 IonicContact OE2-NE 3.93Å; E166-R173 PolarHBondContact OE2-NE 3.17Å; E166-R173 IonicContact OE2-NH1 2.7Å; E166-R173 PolarHBondContact OE2-NH1 3.38Å; E166-R173 VanDerWaalsContact OE2-NH1 3.09Å; E166-L180 WeakPolarHBondContact O-CD2 3.46Å | ||
| 167 | C | 94.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.027 | 37% | 0.373 | C | S | . | . | trans | -97.1 | 117.7 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | E169 C170 K172 F174 L180 | C167-E169 PolarHBondContact O-N 3.07Å; C167-C170 WeakPolarHBondContact CB-O 3.38Å; C167-C170 CarbonylContact O-C 3.4Å; C167-C170 PolarHBondContact O-N 3.27Å; C167-K172 VanDerWaalsContact CB-O 3.23Å; C167-K172 WeakPolarHBondContact CB-O 3.26Å; C167-K172 PolarHBondContact N-O 3.5Å; C167-F174 HydrophobicContact CB-CE2 4.33Å; C167-L180 HydrophobicContact CB-CD1 3.63Å | ||
| 168 | P | 92.8 | Very high | 91.2 | Very high | 110 Ų | 110 | 72.2 Ų | 72.2 | 71% | 0.714 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.1 | -178.2 | 27.2 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 169 | E | 93.6 | Very high | 91.3 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -0.4 | -175.3 | -62.9 | 157.3 | -100.4 | 0 | 0 | 113.3 | C167 R184 H187 | C167-E169 PolarHBondContact O-N 3.07Å; E169-R184 IonicContact OE1-CZ 3.9Å; E169-R184 IonicContact OE1-NE 3.99Å; E169-R184 PolarHBondContact OE1-NE 3.14Å; E169-R184 IonicContact OE1-NH2 3.72Å; E169-R184 PolarHBondContact OE1-NH2 3.36Å; E169-H187 HydrophobicContact CB-CB 4.39Å; E169-H187 PolarHBondContact O-CE1 3.47Å; E169-H187 WeakPolarHBondContact OE2-CB 3.36Å; E169-H187 IonicContact OE2-CG 3.78Å |
| 170 | C | 94.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -179.7 | 158.2 | 164.9 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | C167 K172 R186 H187 | C167-C170 WeakPolarHBondContact CB-O 3.38Å; C167-C170 CarbonylContact O-C 3.4Å; C167-C170 PolarHBondContact O-N 3.27Å; C170-K172 PolarHBondContact O-N 3.45Å; C170-R186 PolarHBondContact SG-NH2 2.82Å; C170-H187 VanDerWaalsContact SG-CE1 3.55Å; C170-H187 PolarHBondContact SG-NE2 3.08Å |
| 171 | D | 92.5 | Very high | 91.7 | Very high | 153 Ų | 153 | 73.2 Ų | 73.2 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -54.3 | 16.8 | -179.9 | -1.2 | -63.3 | 0 | 0 | 0 | 118 | ||
| 172 | K | 92.9 | Very high | 91.9 | Very high | 96 Ų | 96 | 75.4 Ų | 75.4 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | trans | -91.5 | 107.2 | 178.7 | -66.4 | -175.3 | -179.6 | -178 | 0 | 111.3 | C167 C170 F174 | C167-K172 VanDerWaalsContact CB-O 3.23Å; C167-K172 WeakPolarHBondContact CB-O 3.26Å; C167-K172 PolarHBondContact N-O 3.5Å; C170-K172 PolarHBondContact O-N 3.45Å; K172-F174 HydrophobicContact CB-CE2 4.05Å; K172-F174 HydrophobicContact CB-CZ 4Å; K172-F174 WeakPolarHBondContact O-CD2 3.4Å; K172-F174 WeakPolarHBondContact O-CE2 3.48Å | ||
| 173 | R | 93.4 | Very high | 92 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | trans | -89.7 | 156.4 | 172.2 | -57.2 | 173 | 67 | 138.5 | -4.1 | 112.6 | R163 Y165 E166 | R163-R173 HydrophobicContact CB-CB 3.58Å; R163-R173 PolarHBondContact NE-O 2.85Å; R163-R173 PolarHBondContact NH2-O 3.29Å; R163-R173 PolarHBondContact O-NE 3.23Å; R163-R173 PolarHBondContact O-NH2 3.46Å; R163-R173 VanDerWaalsContact O-NH2 3.16Å; Y165-R173 CarbonylContact O-C 3.57Å; Y165-R173 WeakPolarHBondContact O-CA 3.41Å; E166-R173 HydrophobicContact CB-CG 4.07Å; E166-R173 HydrophobicContact CG-CG 3.76Å; E166-R173 WeakPolarHBondContact OE2-CD 3.47Å; E166-R173 VanDerWaalsContact OE2-CG 3.24Å; E166-R173 WeakPolarHBondContact OE2-CG 3.3Å; E166-R173 IonicContact OE2-CZ 3.06Å; E166-R173 IonicContact OE2-NE 3.93Å; E166-R173 PolarHBondContact OE2-NE 3.17Å; E166-R173 IonicContact OE2-NH1 2.7Å; E166-R173 PolarHBondContact OE2-NH1 3.38Å; E166-R173 VanDerWaalsContact OE2-NH1 3.09Å | ||
| 174 | F | 91.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 17% | 0.167 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 154.4 | -178.3 | -60.3 | -84.1 | 0 | 0 | 0 | 112 | R163 P164 Y165 C167 K172 N179 L180 H183 | R163-F174 CarbonylContact C-O 3.56Å; R163-F174 WeakPolarHBondContact CA-O 3.4Å; P164-F174 WeakPolarHBondContact CD-O 3.23Å; Y165-F174 WeakPolarHBondContact CD2-O 3.38Å; Y165-F174 PolarHBondContact N-O 3.15Å; Y165-F174 VanDerWaalsContact N-O 3.08Å; Y165-F174 PolarHBondContact O-N 3.18Å; C167-F174 HydrophobicContact CB-CE2 4.33Å; K172-F174 HydrophobicContact CB-CE2 4.05Å; K172-F174 HydrophobicContact CB-CZ 4Å; K172-F174 WeakPolarHBondContact O-CD2 3.4Å; K172-F174 WeakPolarHBondContact O-CE2 3.48Å; F174-N179 HydrophobicContact CB-CB 4.27Å; F174-N179 HydrophobicContact CD1-CB 4.04Å; F174-N179 HydrophobicContact CG-CB 4.37Å; F174-L180 HydrophobicContact CB-CB 4.4Å; F174-L180 HydrophobicContact CD2-CB 3.86Å; F174-L180 HydrophobicContact CD2-CD1 3.87Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE2-CD1 4.01Å; F174-L180 HydrophobicContact CG-CB 4.31Å; F174-H183 HydrophobicContact CE1-CB 4.18Å; F174-H183 HydrophobicContact CE2-CB 3.84Å; F174-H183 AromaticContact CE2-CD2 3.9Å; F174-H183 AromaticContact CE2-CG 3.74Å; F174-H183 HydrophobicContact CZ-CB 3.57Å; F174-H183 AromaticContact CZ-CD2 3.73Å; F174-H183 AromaticContact CZ-CE1 3.88Å; F174-H183 AromaticContact CZ-CG 3.27Å; F174-H183 AromaticContact CZ-ND1 3.41Å; F174-H183 WeakPolarHBondContact CZ-ND1 3.24Å |
| 175 | S | 89.4 | Confident | 92.3 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -86.5 | -7.3 | 178.6 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | R157 | R157-S175 PolarHBondContact NH1-O 3.38Š|
| 176 | A | 89 | Confident | 92.2 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -148 | 140.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y165 S178 N179 L180 | Y165-A176 VanDerWaalsContact CD2-CA 3.5Å; Y165-A176 VanDerWaalsContact CE2-CA 3.4Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.8Å; A176-N179 WeakPolarHBondContact O-CB 2.99Å; A176-N179 PolarHBondContact O-N 3.07Å; A176-N179 VanDerWaalsContact O-N 3.14Å; A176-L180 PolarHBondContact O-N 3.49Å |
| 177 | A | 89.3 | Confident | 92.1 | Very high | 29 Ų | 29 | 72 Ų | 72 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57 | -41 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y165 N179 L180 R181 | Y165-A177 HydrophobicContact CD1-CB 3.84Å; Y165-A177 HydrophobicContact CE1-CB 3.68Å; Y165-A177 HydrophobicContact CG-CB 4.41Å; A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.23Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 WeakPolarHBondContact O-CA 3.38Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 3.37Å; A177-R181 PolarHBondContact O-N 3.27Å |
| 178 | S | 88.9 | Confident | 92 | Very high | 82 Ų | 82 | 75.7 Ų | 75.7 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.7 | -32.7 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | A176 Q182 | A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.8Å; S178-Q182 WeakPolarHBondContact O-CB 3.5Å; S178-Q182 PolarHBondContact O-N 3.43Å |
| 179 | N | 91.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.4 | -36.1 | 174 | -69.5 | -28.9 | 0 | 0 | 0 | 111.5 | F174 A176 A177 H183 | F174-N179 HydrophobicContact CB-CB 4.27Å; F174-N179 HydrophobicContact CD1-CB 4.04Å; F174-N179 HydrophobicContact CG-CB 4.37Å; A176-N179 WeakPolarHBondContact O-CB 2.99Å; A176-N179 PolarHBondContact O-N 3.07Å; A176-N179 VanDerWaalsContact O-N 3.14Å; A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.23Å; N179-H183 WeakPolarHBondContact O-CB 3.44Å; N179-H183 PolarHBondContact O-N 2.89Å |
| 180 | L | 93.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -48.2 | 172 | 172 | 61.6 | 0 | 0 | 0 | 111.4 | E166 C167 F174 A176 A177 Q182 H183 R184 | E166-L180 WeakPolarHBondContact O-CD2 3.46Å; C167-L180 HydrophobicContact CB-CD1 3.63Å; F174-L180 HydrophobicContact CB-CB 4.4Å; F174-L180 HydrophobicContact CD2-CB 3.86Å; F174-L180 HydrophobicContact CD2-CD1 3.87Å; F174-L180 HydrophobicContact CD2-CG 4.45Å; F174-L180 HydrophobicContact CE2-CD1 4.01Å; F174-L180 HydrophobicContact CG-CB 4.31Å; A176-L180 PolarHBondContact O-N 3.49Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 WeakPolarHBondContact O-CA 3.38Å; A177-L180 WeakPolarHBondContact O-CB 3.41Å; A177-L180 PolarHBondContact O-N 3.37Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.16Å; L180-H183 CarbonylContact O-C 3.15Å; L180-H183 WeakPolarHBondContact O-CA 3.29Å; L180-H183 VanDerWaalsContact O-CB 3.31Å; L180-H183 WeakPolarHBondContact O-CB 3.44Å; L180-H183 PolarHBondContact O-N 2.86Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CG 3.46Å; L180-R184 PolarHBondContact O-N 3.09Å |
| 181 | R | 91.6 | Very high | 91.8 | Very high | 164 Ų | 164 | 75.8 Ų | 75.8 | 62% | 0.619 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -55.7 | -44.8 | 175.8 | -172.2 | 177.1 | 179.8 | -174.6 | 2 | 111.1 | A177 H183 R184 | A177-R181 PolarHBondContact O-N 3.27Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 2.96Å; R181-R184 PolarHBondContact O-N 2.77Å |
| 182 | Q | 91.7 | Very high | 91.8 | Very high | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 173.2 | -172.1 | -174.7 | 100.2 | 0 | 0 | 112.8 | S178 L180 Q204 | S178-Q182 WeakPolarHBondContact O-CB 3.5Å; S178-Q182 PolarHBondContact O-N 3.43Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.16Å; Q182-Q204 HydrophobicContact CG-CG 4.2Å |
| 183 | H | 93.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 177.9 | -169.2 | 77.8 | 0 | 0 | 0 | 113 | F174 N179 L180 R181 R185 R186 H187 | F174-H183 HydrophobicContact CE1-CB 4.18Å; F174-H183 HydrophobicContact CE2-CB 3.84Å; F174-H183 AromaticContact CE2-CD2 3.9Å; F174-H183 AromaticContact CE2-CG 3.74Å; F174-H183 HydrophobicContact CZ-CB 3.57Å; F174-H183 AromaticContact CZ-CD2 3.73Å; F174-H183 AromaticContact CZ-CE1 3.88Å; F174-H183 AromaticContact CZ-CG 3.27Å; F174-H183 AromaticContact CZ-ND1 3.41Å; F174-H183 WeakPolarHBondContact CZ-ND1 3.24Å; N179-H183 WeakPolarHBondContact O-CB 3.44Å; N179-H183 PolarHBondContact O-N 2.89Å; L180-H183 CarbonylContact O-C 3.15Å; L180-H183 WeakPolarHBondContact O-CA 3.29Å; L180-H183 VanDerWaalsContact O-CB 3.31Å; L180-H183 WeakPolarHBondContact O-CB 3.44Å; L180-H183 PolarHBondContact O-N 2.86Å; R181-H183 VanDerWaalsContact C-N 3.32Å; R181-H183 PolarHBondContact O-N 2.96Å; H183-R185 PolarHBondContact O-N 2.94Å; H183-R186 PolarHBondContact CE1-NE 3.24Å; H183-R186 PolarHBondContact CE1-NH2 3.09Å; H183-R186 PolarHBondContact NE2-NE 2.7Å; H183-R186 PolarHBondContact NE2-NH2 2.91Å; H183-R186 WeakPolarHBondContact O-CB 3.41Å; H183-R186 PolarHBondContact O-N 3.49Å; H183-H187 AromaticContact CD2-NE2 3.79Å; H183-H187 AromaticContact NE2-NE2 3.57Å |
| 184 | R | 93.3 | Very high | 92 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.1 | -30.5 | -178 | -70 | -166.7 | 68.3 | -130.7 | -11.9 | 113 | E169 L180 R181 R186 H187 T188 | E169-R184 IonicContact OE1-CZ 3.9Å; E169-R184 IonicContact OE1-NE 3.99Å; E169-R184 PolarHBondContact OE1-NE 3.14Å; E169-R184 IonicContact OE1-NH2 3.72Å; E169-R184 PolarHBondContact OE1-NH2 3.36Å; L180-R184 HydrophobicContact CD1-CG 4.06Å; L180-R184 WeakPolarHBondContact O-CG 3.46Å; L180-R184 PolarHBondContact O-N 3.09Å; R181-R184 PolarHBondContact O-N 2.77Å; R184-R186 PolarHBondContact O-N 3.12Å; R184-H187 PolarHBondContact O-N 3.34Å; R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.18Å |
| 185 | R | 93.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.4 | -21.9 | 170.4 | -61 | -164 | 161.4 | 157.5 | -3.7 | 115 | H183 T188 G189 E190 A203 | H183-R185 PolarHBondContact O-N 2.94Å; R185-T188 WeakPolarHBondContact CA-OG1 3.35Å; R185-G189 CarbonylContact O-C 3.57Å; R185-G189 WeakPolarHBondContact O-CA 3.41Å; R185-G189 PolarHBondContact O-N 2.91Å; R185-G189 VanDerWaalsContact O-N 3.15Å; R185-E190 HydrophobicContact CB-CB 4.38Å; R185-E190 HydrophobicContact CG-CB 4.19Å; R185-E190 WeakPolarHBondContact CG-OE2 3.33Å; R185-E190 IonicContact CZ-OE1 3.56Å; R185-E190 IonicContact CZ-OE2 3.46Å; R185-E190 IonicContact NE-OE1 3.7Å; R185-E190 PolarHBondContact NE-OE1 2.9Å; R185-E190 IonicContact NE-OE2 3.91Å; R185-E190 PolarHBondContact NE-OE2 2.99Å; R185-E190 IonicContact NH2-OE1 3.43Å; R185-E190 PolarHBondContact NH2-OE1 3.24Å; R185-E190 IonicContact NH2-OE2 2.7Å; R185-E190 PolarHBondContact O-N 2.77Å; R185-A203 HydrophobicContact CB-CB 4.11Å; R185-A203 WeakPolarHBondContact CD-O 3.32Å; R185-A203 PolarHBondContact NH1-O 2.87Å; R185-A203 VanDerWaalsContact NH1-O 3.08Å |
| 186 | R | 91.3 | Very high | 92.4 | Very high | 137 Ų | 137 | 68.2 Ų | 68.2 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.5 | -30.5 | 174.3 | -173.7 | 180 | 65.8 | 102.7 | 0.5 | 112.7 | C170 H183 R184 | C170-R186 PolarHBondContact SG-NH2 2.82Å; H183-R186 PolarHBondContact CE1-NE 3.24Å; H183-R186 PolarHBondContact CE1-NH2 3.09Å; H183-R186 PolarHBondContact NE2-NE 2.7Å; H183-R186 PolarHBondContact NE2-NH2 2.91Å; H183-R186 WeakPolarHBondContact O-CB 3.41Å; H183-R186 PolarHBondContact O-N 3.49Å; R184-R186 PolarHBondContact O-N 3.12Å |
| 187 | H | 92.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 73.6 Ų | 73.6 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -92.3 | -51 | -178.7 | -62.5 | -99.4 | 0 | 0 | 0 | 110.6 | E169 C170 H183 R184 G189 | E169-H187 HydrophobicContact CB-CB 4.39Å; E169-H187 PolarHBondContact O-CE1 3.47Å; E169-H187 WeakPolarHBondContact OE2-CB 3.36Å; E169-H187 IonicContact OE2-CG 3.78Å; C170-H187 VanDerWaalsContact SG-CE1 3.55Å; C170-H187 PolarHBondContact SG-NE2 3.08Å; H183-H187 AromaticContact CD2-NE2 3.79Å; H183-H187 AromaticContact NE2-NE2 3.57Å; R184-H187 PolarHBondContact O-N 3.34Å; H187-G189 PolarHBondContact O-N 3Å |
| 188 | T | 91.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 75.1 Ų | 75.1 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -16.5 | 176 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | R184 R185 E190 | R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.18Å; R185-T188 WeakPolarHBondContact CA-OG1 3.35Å; T188-E190 PolarHBondContact O-N 2.71Å; T188-E190 WeakPolarHBondContact OG1-CB 3.28Å; T188-E190 PolarHBondContact OG1-N 2.86Å |
| 189 | G | 91.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 74 Ų | 74 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | trans | 73.3 | 2.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | R185 H187 K191 | R185-G189 CarbonylContact O-C 3.57Å; R185-G189 WeakPolarHBondContact O-CA 3.41Å; R185-G189 PolarHBondContact O-N 2.91Å; R185-G189 VanDerWaalsContact O-N 3.15Å; H187-G189 PolarHBondContact O-N 3Å; G189-K191 WeakPolarHBondContact O-CD 3.46Å; G189-K191 VanDerWaalsContact O-CE 3.3Å; G189-K191 WeakPolarHBondContact O-CE 3.42Å; G189-K191 WeakPolarHBondContact O-CG 3.33Å; G189-K191 PolarHBondContact O-N 3.17Å | ||
| 190 | E | 92.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 77.9 Ų | 77.9 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | trans | -53.3 | 121.5 | -175.5 | -169.9 | -148.4 | 140.5 | 0 | 0 | 112.2 | R185 T188 P192 A203 | R185-E190 HydrophobicContact CB-CB 4.38Å; R185-E190 HydrophobicContact CG-CB 4.19Å; R185-E190 WeakPolarHBondContact CG-OE2 3.33Å; R185-E190 IonicContact CZ-OE1 3.56Å; R185-E190 IonicContact CZ-OE2 3.46Å; R185-E190 IonicContact NE-OE1 3.7Å; R185-E190 PolarHBondContact NE-OE1 2.9Å; R185-E190 IonicContact NE-OE2 3.91Å; R185-E190 PolarHBondContact NE-OE2 2.99Å; R185-E190 IonicContact NH2-OE1 3.43Å; R185-E190 PolarHBondContact NH2-OE1 3.24Å; R185-E190 IonicContact NH2-OE2 2.7Å; R185-E190 PolarHBondContact O-N 2.77Å; T188-E190 PolarHBondContact O-N 2.71Å; T188-E190 WeakPolarHBondContact OG1-CB 3.28Å; T188-E190 PolarHBondContact OG1-N 2.86Å; E190-P192 HydrophobicContact CG-CG 4.25Å; E190-P192 WeakPolarHBondContact OE1-CG 3.38Å; E190-A203 WeakPolarHBondContact O-CB 3.22Å | ||
| 191 | K | 93.6 | Very high | 93 | Very high | 105 Ų | 105 | 83.4 Ų | 83.4 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | trans | -134 | 81.6 | -179.7 | -68.9 | 154.5 | -162.4 | 151 | 0 | 110.4 | G189 Y193 R201 F202 A203 | G189-K191 WeakPolarHBondContact O-CD 3.46Å; G189-K191 VanDerWaalsContact O-CE 3.3Å; G189-K191 WeakPolarHBondContact O-CE 3.42Å; G189-K191 WeakPolarHBondContact O-CG 3.33Å; G189-K191 PolarHBondContact O-N 3.17Å; K191-Y193 VanDerWaalsContact C-N 3.35Å; K191-Y193 PolarHBondContact O-N 3.23Å; K191-R201 HydrophobicContact CB-CB 3.57Å; K191-R201 HydrophobicContact CD-CB 4.23Å; K191-R201 HydrophobicContact CG-CB 4.42Å; K191-R201 PolarHBondContact O-NE 3.25Å; K191-R201 PolarHBondContact O-NH2 3.38Å; K191-R201 VanDerWaalsContact O-NH2 3.15Å; K191-F202 CarbonylContact C-O 3.56Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 VanDerWaalsContact CA-O 3.26Å; K191-F202 WeakPolarHBondContact CA-O 3.22Å; K191-A203 HydrophobicContact CG-CB 4.36Å | ||
| 192 | P | 92.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | trans | -59.6 | -44.8 | -176.7 | -26.1 | 36.6 | 0 | 0 | 0 | 112.4 | E190 A194 R201 | E190-P192 HydrophobicContact CG-CG 4.25Å; E190-P192 WeakPolarHBondContact OE1-CG 3.38Å; P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; P192-R201 PolarHBondContact O-NH2 2.8Å | ||
| 193 | Y | 94.8 | Very high | 93.2 | Very high | 78 Ų | 78 | 74 Ų | 74 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 100.7 | -170.4 | -47.1 | -77.7 | 0 | 0 | 0 | 111.1 | K191 R201 F202 Q204 Y208 | K191-Y193 VanDerWaalsContact C-N 3.35Å; K191-Y193 PolarHBondContact O-N 3.23Å; Y193-R201 CarbonylContact O-C 3.57Å; Y193-R201 WeakPolarHBondContact O-CA 3.11Å; Y193-F202 WeakPolarHBondContact CD2-O 3.42Å; Y193-F202 PolarHBondContact N-O 3.01Å; Y193-F202 PolarHBondContact O-N 2.79Å; Y193-Q204 VanDerWaalsContact CD2-C 3.43Å; Y193-Y208 HydrophobicContact CD1-CD1 4.47Å; Y193-Y208 HydrophobicContact CG-CD1 4.49Å |
| 194 | A | 95.2 | Very high | 93 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P192 R201 Y208 | P192-A194 PolarHBondContact O-N 3.2Å; P192-A194 VanDerWaalsContact O-N 3.15Å; A194-R201 HydrophobicContact CB-CG 3.97Å; A194-Y208 WeakPolarHBondContact O-CE2 3.35Å; A194-Y208 PolarHBondContact O-OH 3.49Å |
| 195 | C | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | trans | -94.7 | 114.5 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | H197 C198 G199 R200 Y208 H215 | C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.04Å; C195-C198 PolarHBondContact O-N 3.33Å; C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.39Å; C195-R200 WeakPolarHBondContact CB-O 3.49Å; C195-R200 PolarHBondContact N-O 3.31Å; C195-Y208 HydrophobicContact CB-CD2 4.45Å; C195-Y208 HydrophobicContact CB-CE2 3.82Å; C195-H215 PolarHBondContact SG-NE2 3.33Å | ||
| 196 | A | 93.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 80% | 0.802 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | C198 | A196-C198 PolarHBondContact O-N 2.81Å; A196-C198 VanDerWaalsContact O-N 3.16Å |
| 197 | H | 91.2 | Very high | 92.8 | Very high | 126 Ų | 126 | 71.2 Ų | 71.2 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.9 | -176.6 | -54.2 | -64.8 | 0 | 0 | 0 | 115.5 | C195 H215 | C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.04Å; H197-H215 AromaticContact CD2-CD2 3.73Å; H197-H215 AromaticContact CD2-CG 3.87Å |
| 198 | C | 93.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.7 | 16.7 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 115.8 | C195 A196 R200 H211 H215 | C195-C198 PolarHBondContact O-N 3.33Å; A196-C198 PolarHBondContact O-N 2.81Å; A196-C198 VanDerWaalsContact O-N 3.16Å; C198-R200 PolarHBondContact O-N 3.14Å; C198-H211 PolarHBondContact SG-NE2 3.46Å; C198-H211 VanDerWaalsContact SG-NE2 3.37Å; C198-H215 WeakPolarHBondContact CB-CE1 3.11Å; C198-H215 PolarHBondContact SG-CE1 2.84Å; C198-H215 PolarHBondContact SG-NE2 3.46Å |
| 199 | G | 91.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 69.4 Ų | 69.4 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | trans | 63.4 | -4.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C195 R201 | C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.39Å; G199-R201 WeakPolarHBondContact O-CG 3.36Å; G199-R201 PolarHBondContact O-N 3.03Å | ||
| 200 | R | 94.1 | Very high | 92.7 | Very high | 155 Ų | 155 | 71.8 Ų | 71.8 | 59% | 0.585 | 40% | 0.396 | S | S | * | . | trans | -71.8 | 125 | -168.1 | -169.4 | 174.3 | -178.3 | 165 | 4.2 | 111.7 | C195 C198 F202 | C195-R200 WeakPolarHBondContact CB-O 3.49Å; C195-R200 PolarHBondContact N-O 3.31Å; C198-R200 PolarHBondContact O-N 3.14Å; R200-F202 HydrophobicContact CB-CE2 4.09Å; R200-F202 HydrophobicContact CB-CZ 4.48Å; R200-F202 HydrophobicContact CG-CE2 3.77Å; R200-F202 HydrophobicContact CG-CZ 3.81Å; R200-F202 WeakPolarHBondContact O-CD2 3.23Å; R200-F202 VanDerWaalsContact O-CE2 3.31Å; R200-F202 WeakPolarHBondContact O-CE2 3.24Å | ||
| 201 | R | 94.7 | Very high | 92.7 | Very high | 143 Ų | 143 | 68.9 Ų | 68.9 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.5 | -176.5 | -48.4 | -170.8 | 67.2 | 130.3 | 4.1 | 113.8 | K191 P192 Y193 A194 G199 | K191-R201 HydrophobicContact CB-CB 3.57Å; K191-R201 HydrophobicContact CD-CB 4.23Å; K191-R201 HydrophobicContact CG-CB 4.42Å; K191-R201 PolarHBondContact O-NE 3.25Å; K191-R201 PolarHBondContact O-NH2 3.38Å; K191-R201 VanDerWaalsContact O-NH2 3.15Å; P192-R201 PolarHBondContact O-NH2 2.8Å; Y193-R201 CarbonylContact O-C 3.57Å; Y193-R201 WeakPolarHBondContact O-CA 3.11Å; A194-R201 HydrophobicContact CB-CG 3.97Å; G199-R201 WeakPolarHBondContact O-CG 3.36Å; G199-R201 PolarHBondContact O-N 3.03Å |
| 202 | F | 93.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.4 | -176.3 | -59.6 | -98.6 | 0 | 0 | 0 | 111.6 | K191 Y193 R200 N207 Y208 H211 | K191-F202 CarbonylContact C-O 3.56Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 VanDerWaalsContact CA-O 3.26Å; K191-F202 WeakPolarHBondContact CA-O 3.22Å; Y193-F202 WeakPolarHBondContact CD2-O 3.42Å; Y193-F202 PolarHBondContact N-O 3.01Å; Y193-F202 PolarHBondContact O-N 2.79Å; R200-F202 HydrophobicContact CB-CE2 4.09Å; R200-F202 HydrophobicContact CB-CZ 4.48Å; R200-F202 HydrophobicContact CG-CE2 3.77Å; R200-F202 HydrophobicContact CG-CZ 3.81Å; R200-F202 WeakPolarHBondContact O-CD2 3.23Å; R200-F202 VanDerWaalsContact O-CE2 3.31Å; R200-F202 WeakPolarHBondContact O-CE2 3.24Å; F202-N207 HydrophobicContact CD1-CB 4.1Å; F202-Y208 AromaticContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CE2-CD2 4.38Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 4.01Å; F202-H211 AromaticContact CE2-CD2 3.22Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.44Å; F202-H211 AromaticContact CE2-CG 3.75Å; F202-H211 HydrophobicContact CZ-CB 3.47Å; F202-H211 VanDerWaalsContact CZ-CB 3.47Å; F202-H211 AromaticContact CZ-CD2 3.28Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.49Å; F202-H211 AromaticContact CZ-CG 3.31Å |
| 203 | A | 93.1 | Very high | 92.5 | Very high | 29 Ų | 29 | 67 Ų | 67 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -86.3 | -8.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R185 E190 K191 | R185-A203 HydrophobicContact CB-CB 4.11Å; R185-A203 WeakPolarHBondContact CD-O 3.32Å; R185-A203 PolarHBondContact NH1-O 2.87Å; R185-A203 VanDerWaalsContact NH1-O 3.08Å; E190-A203 WeakPolarHBondContact O-CB 3.22Å; K191-A203 HydrophobicContact CG-CB 4.36Å |
| 204 | Q | 91.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -139.7 | 135 | -175.3 | -61.8 | 176.8 | -1.3 | 0 | 0 | 110.3 | Q182 Y193 S206 N207 Y208 | Q182-Q204 HydrophobicContact CG-CG 4.2Å; Y193-Q204 VanDerWaalsContact CD2-C 3.43Å; Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.18Å; Q204-N207 HydrophobicContact CB-CB 4.5Å; Q204-N207 PolarHBondContact O-N 3.46Å; Q204-N207 PolarHBondContact OE1-ND2 3.39Å; Q204-Y208 PolarHBondContact O-N 3.45Å |
| 205 | S | 91.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | -180 | 49.9 | 0 | 0 | 0 | 0 | 113 | N207 Y208 A209 | S205-N207 PolarHBondContact O-N 3.35Å; S205-Y208 WeakPolarHBondContact O-CB 3.47Å; S205-Y208 PolarHBondContact O-N 3.31Å; S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.48Å |
| 206 | S | 89.3 | Confident | 91.8 | Very high | 71 Ų | 71 | 74.1 Ų | 74.1 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 113 | Q204 Q210 | Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.18Å; S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 2.99Å |
| 207 | N | 91.5 | Very high | 91.6 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.8 | -32.5 | 177.9 | -63.6 | -32.8 | 0 | 0 | 0 | 111.7 | F202 Q204 S205 H211 | F202-N207 HydrophobicContact CD1-CB 4.1Å; Q204-N207 HydrophobicContact CB-CB 4.5Å; Q204-N207 PolarHBondContact O-N 3.46Å; Q204-N207 PolarHBondContact OE1-ND2 3.39Å; S205-N207 PolarHBondContact O-N 3.35Å; N207-H211 WeakPolarHBondContact O-CB 3.44Å; N207-H211 PolarHBondContact O-N 3.44Å |
| 208 | Y | 93.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 69.2 Ų | 69.2 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.3 | -50.8 | 172.9 | 173 | -123.7 | 0 | 0 | 0 | 111.7 | Y193 A194 C195 F202 Q204 S205 Q210 H211 L212 | Y193-Y208 HydrophobicContact CD1-CD1 4.47Å; Y193-Y208 HydrophobicContact CG-CD1 4.49Å; A194-Y208 WeakPolarHBondContact O-CE2 3.35Å; A194-Y208 PolarHBondContact O-OH 3.49Å; C195-Y208 HydrophobicContact CB-CD2 4.45Å; C195-Y208 HydrophobicContact CB-CE2 3.82Å; F202-Y208 AromaticContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CD2-CD2 3.99Å; F202-Y208 HydrophobicContact CE2-CD2 4.38Å; Q204-Y208 PolarHBondContact O-N 3.45Å; S205-Y208 WeakPolarHBondContact O-CB 3.47Å; S205-Y208 PolarHBondContact O-N 3.31Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.36Å; Y208-H211 WeakPolarHBondContact O-CA 3.41Å; Y208-H211 WeakPolarHBondContact O-CB 3.32Å; Y208-H211 PolarHBondContact O-N 3.32Å; Y208-L212 HydrophobicContact CD2-CG 4.44Å; Y208-L212 HydrophobicContact CE1-CD1 4.05Å; Y208-L212 HydrophobicContact CE2-CD1 4.28Å; Y208-L212 HydrophobicContact CE2-CD2 3.74Å; Y208-L212 HydrophobicContact CE2-CG 3.96Å; Y208-L212 PolarHBondContact O-N 2.97Å |
| 209 | A | 90.5 | Very high | 91.5 | Very high | 51 Ų | 51 | 72.2 Ų | 72.2 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S205 H211 L212 | S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.48Å; A209-H211 VanDerWaalsContact C-N 3.31Å; A209-H211 PolarHBondContact O-N 2.84Å; A209-L212 PolarHBondContact O-N 3.17Å |
| 210 | Q | 89.5 | Confident | 91.5 | Very high | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 170.8 | -179.5 | 170.8 | 59.1 | 0 | 0 | 112.4 | S206 Y208 | S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 2.99Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.36Å |
| 211 | H | 92.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70 | -37.1 | 177.6 | 170.6 | 46.1 | 0 | 0 | 0 | 112.9 | C198 F202 N207 Y208 A209 R213 V214 H215 | C198-H211 PolarHBondContact SG-NE2 3.46Å; C198-H211 VanDerWaalsContact SG-NE2 3.37Å; F202-H211 HydrophobicContact CE1-CB 3.92Å; F202-H211 HydrophobicContact CE2-CB 4.01Å; F202-H211 AromaticContact CE2-CD2 3.22Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.44Å; F202-H211 AromaticContact CE2-CG 3.75Å; F202-H211 HydrophobicContact CZ-CB 3.47Å; F202-H211 VanDerWaalsContact CZ-CB 3.47Å; F202-H211 AromaticContact CZ-CD2 3.28Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.49Å; F202-H211 AromaticContact CZ-CG 3.31Å; N207-H211 WeakPolarHBondContact O-CB 3.44Å; N207-H211 PolarHBondContact O-N 3.44Å; Y208-H211 WeakPolarHBondContact O-CA 3.41Å; Y208-H211 WeakPolarHBondContact O-CB 3.32Å; Y208-H211 PolarHBondContact O-N 3.32Å; A209-H211 VanDerWaalsContact C-N 3.31Å; A209-H211 PolarHBondContact O-N 2.84Å; H211-R213 PolarHBondContact O-N 3.23Å; H211-R213 VanDerWaalsContact O-N 3.12Å; H211-V214 VanDerWaalsContact O-CB 3.22Å; H211-V214 WeakPolarHBondContact O-CB 3.27Å; H211-V214 WeakPolarHBondContact O-CG2 3.38Å; H211-V214 PolarHBondContact O-N 2.82Å; H211-H215 AromaticContact CD2-NE2 3.66Å; H211-H215 AromaticContact CE1-NE2 3.04Å; H211-H215 PolarHBondContact CE1-NE2 2.91Å; H211-H215 AromaticContact NE2-NE2 2.63Å; H211-H215 PolarHBondContact NE2-NE2 2.91Å |
| 212 | L | 91.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.9 | -31.1 | 178.6 | -68.9 | 178.3 | 0 | 0 | 0 | 112.8 | Y208 A209 V214 H215 T216 | Y208-L212 HydrophobicContact CD2-CG 4.44Å; Y208-L212 HydrophobicContact CE1-CD1 4.05Å; Y208-L212 HydrophobicContact CE2-CD1 4.28Å; Y208-L212 HydrophobicContact CE2-CD2 3.74Å; Y208-L212 HydrophobicContact CE2-CG 3.96Å; Y208-L212 PolarHBondContact O-N 2.97Å; A209-L212 PolarHBondContact O-N 3.17Å; L212-V214 PolarHBondContact O-N 3.33Å; L212-V214 VanDerWaalsContact O-N 3.09Å; L212-H215 PolarHBondContact O-N 2.85Å; L212-T216 PolarHBondContact O-N 3Å; L212-T216 VanDerWaalsContact O-N 3.09Å |
| 213 | R | 91.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.5 | 173 | -58.5 | -176.4 | -179.7 | 147.7 | 4.5 | 115.1 | H211 T216 G217 E218 G231 | H211-R213 PolarHBondContact O-N 3.23Å; H211-R213 VanDerWaalsContact O-N 3.12Å; R213-T216 WeakPolarHBondContact CA-OG1 3.34Å; R213-G217 CarbonylContact O-C 3.49Å; R213-G217 WeakPolarHBondContact O-CA 3.32Å; R213-G217 PolarHBondContact O-N 3.49Å; R213-G217 VanDerWaalsContact O-N 3.14Å; R213-E218 HydrophobicContact CB-CB 4.12Å; R213-E218 HydrophobicContact CG-CB 4.02Å; R213-E218 IonicContact NE-OE2 3.58Å; R213-E218 PolarHBondContact O-N 2.91Å; R213-G231 WeakPolarHBondContact CD-O 3.43Å; R213-G231 PolarHBondContact NH1-O 3.05Å |
| 214 | V | 90.5 | Very high | 91.5 | Very high | 105 Ų | 105 | 67.5 Ų | 67.5 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -31.4 | 172 | -178.7 | 0 | 0 | 0 | 0 | 111 | H211 L212 | H211-V214 VanDerWaalsContact O-CB 3.22Å; H211-V214 WeakPolarHBondContact O-CB 3.27Å; H211-V214 WeakPolarHBondContact O-CG2 3.38Å; H211-V214 PolarHBondContact O-N 2.82Å; L212-V214 PolarHBondContact O-N 3.33Å; L212-V214 VanDerWaalsContact O-N 3.09Å |
| 215 | H | 90.9 | Very high | 91.6 | Very high | 83 Ų | 83 | 68.6 Ų | 68.6 | 38% | 0.384 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -44.5 | 179.4 | -59 | -63.7 | 0 | 0 | 0 | 111.8 | C195 H197 C198 H211 L212 G217 | C195-H215 PolarHBondContact SG-NE2 3.33Å; H197-H215 AromaticContact CD2-CD2 3.73Å; H197-H215 AromaticContact CD2-CG 3.87Å; C198-H215 WeakPolarHBondContact CB-CE1 3.11Å; C198-H215 PolarHBondContact SG-CE1 2.84Å; C198-H215 PolarHBondContact SG-NE2 3.46Å; H211-H215 AromaticContact CD2-NE2 3.66Å; H211-H215 AromaticContact CE1-NE2 3.04Å; H211-H215 PolarHBondContact CE1-NE2 2.91Å; H211-H215 AromaticContact NE2-NE2 2.63Å; H211-H215 PolarHBondContact NE2-NE2 2.91Å; L212-H215 PolarHBondContact O-N 2.85Å; H215-G217 PolarHBondContact O-N 2.89Å |
| 216 | T | 89.1 | Confident | 91.7 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -73.5 | -12.1 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | L212 R213 E218 | L212-T216 PolarHBondContact O-N 3Å; L212-T216 VanDerWaalsContact O-N 3.09Å; R213-T216 WeakPolarHBondContact CA-OG1 3.34Å; T216-E218 PolarHBondContact O-N 3.33Å; T216-E218 WeakPolarHBondContact OG1-CG 3.31Å |
| 217 | G | 88.8 | Confident | 91.8 | Very high | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | trans | 72 | 0.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | R213 H215 K219 | R213-G217 CarbonylContact O-C 3.49Å; R213-G217 WeakPolarHBondContact O-CA 3.32Å; R213-G217 PolarHBondContact O-N 3.49Å; R213-G217 VanDerWaalsContact O-N 3.14Å; H215-G217 PolarHBondContact O-N 2.89Å; G217-K219 VanDerWaalsContact O-CE 3.27Å; G217-K219 WeakPolarHBondContact O-CE 3.16Å; G217-K219 PolarHBondContact O-NZ 3.45Å | ||
| 218 | E | 90.7 | Very high | 91.9 | Very high | 86 Ų | 86 | 72.3 Ų | 72.3 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | trans | -54.4 | 132.7 | -176.3 | -85.3 | -161.3 | 129.4 | 0 | 0 | 113.5 | R213 T216 | R213-E218 HydrophobicContact CB-CB 4.12Å; R213-E218 HydrophobicContact CG-CB 4.02Å; R213-E218 IonicContact NE-OE2 3.58Å; R213-E218 PolarHBondContact O-N 2.91Å; T216-E218 PolarHBondContact O-N 3.33Å; T216-E218 WeakPolarHBondContact OG1-CG 3.31Å | ||
| 219 | K | 92.1 | Very high | 91.9 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | trans | -133.7 | 72.6 | 179.5 | -70.5 | 150.4 | -165 | 143.3 | 0 | 111.4 | G217 Y221 A229 F230 | G217-K219 VanDerWaalsContact O-CE 3.27Å; G217-K219 WeakPolarHBondContact O-CE 3.16Å; G217-K219 PolarHBondContact O-NZ 3.45Å; K219-Y221 PolarHBondContact O-N 3.21Å; K219-A229 HydrophobicContact CB-CB 3.52Å; K219-A229 HydrophobicContact CD-CB 4.39Å; K219-A229 HydrophobicContact CG-CB 4.42Å; K219-F230 CarbonylContact C-O 3.59Å; K219-F230 VanDerWaalsContact CA-O 3.27Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å | ||
| 220 | P | 90.8 | Very high | 91.9 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 47% | 0.468 | 40% | 0.396 | S | S | . | . | trans | -65.4 | -12 | -173.7 | -22.3 | 35 | 0 | 0 | 0 | 115.3 | ||||
| 221 | Y | 93.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 68 Ų | 68 | 30% | 0.302 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 88.3 | -173.9 | -51.8 | -81.3 | 0 | 0 | 0 | 110.3 | K219 A229 F230 G232 | K219-Y221 PolarHBondContact O-N 3.21Å; Y221-A229 WeakPolarHBondContact O-CA 3.46Å; Y221-F230 WeakPolarHBondContact CD2-O 3.47Å; Y221-F230 PolarHBondContact N-O 3.19Å; Y221-F230 VanDerWaalsContact N-O 3.08Å; Y221-F230 PolarHBondContact O-N 3.07Å; Y221-G232 VanDerWaalsContact CD2-CA 3.42Å |
| 222 | A | 95.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 145.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L236 | A222-L236 VanDerWaalsContact O-CD2 3.26Å; A222-L236 WeakPolarHBondContact O-CD2 3.27Å |
| 223 | C | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | trans | -86.3 | 119.6 | 169.8 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | D225 C226 G227 R228 L236 | C223-D225 PolarHBondContact O-N 3.02Å; C223-D225 PolarHBondContact SG-OD2 3.28Å; C223-D225 VanDerWaalsContact SG-OD2 3.37Å; C223-C226 PolarHBondContact O-N 3.31Å; C223-G227 VanDerWaalsContact O-CA 3.26Å; C223-G227 WeakPolarHBondContact O-CA 3.07Å; C223-G227 PolarHBondContact O-N 3.19Å; C223-R228 VanDerWaalsContact CB-O 3.27Å; C223-R228 WeakPolarHBondContact CB-O 3.41Å; C223-R228 PolarHBondContact N-O 3.06Å; C223-L236 HydrophobicContact CB-CD1 3.61Å | ||
| 224 | P | 92.6 | Very high | 91.7 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 69% | 0.688 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -33.7 | 178.9 | 27.2 | -33.7 | 0 | 0 | 0 | 111 | C226 | P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.67Å |
| 225 | D | 92.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.3 | -173.1 | -38.7 | -71.8 | 0 | 0 | 0 | 113.5 | C223 R240 H243 | C223-D225 PolarHBondContact O-N 3.02Å; C223-D225 PolarHBondContact SG-OD2 3.28Å; C223-D225 VanDerWaalsContact SG-OD2 3.37Å; D225-R240 IonicContact OD1-NH2 3.36Å; D225-R240 PolarHBondContact OD1-NH2 3.02Å; D225-R240 IonicContact OD2-CZ 3.02Å; D225-R240 IonicContact OD2-NE 3.19Å; D225-R240 PolarHBondContact OD2-NE 3.14Å; D225-R240 IonicContact OD2-NH2 3.03Å; D225-H243 HydrophobicContact CB-CB 4.48Å; D225-H243 IonicContact OD2-CD2 3.93Å |
| 226 | C | 94.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 63.2 Ų | 63.2 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -159.8 | 14.4 | -179.3 | 67.4 | 0 | 0 | 0 | 0 | 116.4 | C223 P224 R228 H239 H243 | C223-C226 PolarHBondContact O-N 3.31Å; P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.67Å; C226-R228 PolarHBondContact O-N 2.87Å; C226-H239 PolarHBondContact SG-NE2 2.96Å; C226-H243 PolarHBondContact SG-NE2 3Å |
| 227 | G | 91.5 | Very high | 92 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 60% | 0.598 | 38% | 0.382 | S | S | * | . | trans | 67.2 | -12.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | C223 A229 | C223-G227 VanDerWaalsContact O-CA 3.26Å; C223-G227 WeakPolarHBondContact O-CA 3.07Å; C223-G227 PolarHBondContact O-N 3.19Å; G227-A229 PolarHBondContact O-N 3.31Å | ||
| 228 | R | 93.6 | Very high | 92.3 | Very high | 160 Ų | 160 | 65.9 Ų | 65.9 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | trans | -65.2 | 124.4 | -171.9 | -172.3 | 175.5 | -177 | 158.9 | 7.7 | 112.3 | C223 C226 F230 | C223-R228 VanDerWaalsContact CB-O 3.27Å; C223-R228 WeakPolarHBondContact CB-O 3.41Å; C223-R228 PolarHBondContact N-O 3.06Å; C226-R228 PolarHBondContact O-N 2.87Å; R228-F230 HydrophobicContact CB-CE2 4.19Å; R228-F230 HydrophobicContact CG-CE2 3.85Å; R228-F230 HydrophobicContact CG-CZ 3.83Å; R228-F230 WeakPolarHBondContact O-CD2 3.23Å; R228-F230 WeakPolarHBondContact O-CE2 3.35Å | ||
| 229 | A | 92.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 63 Ų | 63 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 148.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K219 Y221 G227 | K219-A229 HydrophobicContact CB-CB 3.52Å; K219-A229 HydrophobicContact CD-CB 4.39Å; K219-A229 HydrophobicContact CG-CB 4.42Å; Y221-A229 WeakPolarHBondContact O-CA 3.46Å; G227-A229 PolarHBondContact O-N 3.31Å |
| 230 | F | 91.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.2 | -176.6 | -59.4 | -93.8 | 0 | 0 | 0 | 112.3 | K219 Y221 R228 G232 C235 L236 H239 | K219-F230 CarbonylContact C-O 3.59Å; K219-F230 VanDerWaalsContact CA-O 3.27Å; K219-F230 WeakPolarHBondContact CA-O 3.38Å; Y221-F230 WeakPolarHBondContact CD2-O 3.47Å; Y221-F230 PolarHBondContact N-O 3.19Å; Y221-F230 VanDerWaalsContact N-O 3.08Å; Y221-F230 PolarHBondContact O-N 3.07Å; R228-F230 HydrophobicContact CB-CE2 4.19Å; R228-F230 HydrophobicContact CG-CE2 3.85Å; R228-F230 HydrophobicContact CG-CZ 3.83Å; R228-F230 WeakPolarHBondContact O-CD2 3.23Å; R228-F230 WeakPolarHBondContact O-CE2 3.35Å; F230-G232 VanDerWaalsContact C-N 3.27Å; F230-G232 PolarHBondContact O-N 3.3Å; F230-C235 HydrophobicContact CB-CB 4.17Å; F230-C235 HydrophobicContact CD1-CB 3.93Å; F230-C235 HydrophobicContact CG-CB 4.3Å; F230-L236 HydrophobicContact CD2-CB 4.13Å; F230-L236 HydrophobicContact CD2-CD1 4.21Å; F230-L236 HydrophobicContact CE2-CD1 4.38Å; F230-L236 HydrophobicContact CG-CB 4.5Å; F230-H239 HydrophobicContact CE1-CB 4.2Å; F230-H239 HydrophobicContact CE2-CB 4.07Å; F230-H239 AromaticContact CE2-CD2 3.22Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.48Å; F230-H239 AromaticContact CE2-CG 3.88Å; F230-H239 HydrophobicContact CZ-CB 3.65Å; F230-H239 AromaticContact CZ-CD2 3.25Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.33Å; F230-H239 AromaticContact CZ-CG 3.49Å; F230-H239 VanDerWaalsContact CZ-CG 3.49Å; F230-H239 AromaticContact CZ-NE2 3.98Å |
| 231 | G | 88.4 | Confident | 92.7 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -77.7 | -0.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R213 | R213-G231 WeakPolarHBondContact CD-O 3.43Å; R213-G231 PolarHBondContact NH1-O 3.05Å |
| 232 | G | 89.6 | Confident | 92.6 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -153.9 | 138.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y221 F230 S234 C235 L236 | Y221-G232 VanDerWaalsContact CD2-CA 3.42Å; F230-G232 VanDerWaalsContact C-N 3.27Å; F230-G232 PolarHBondContact O-N 3.3Å; G232-S234 VanDerWaalsContact C-N 3.31Å; G232-S234 PolarHBondContact O-N 3.07Å; G232-C235 WeakPolarHBondContact O-CB 3.36Å; G232-C235 PolarHBondContact O-N 3.5Å; G232-L236 PolarHBondContact O-N 3.37Å |
| 233 | S | 91.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -38.1 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | C235 L236 A237 | S233-C235 VanDerWaalsContact C-N 3.25Å; S233-C235 PolarHBondContact O-N 3.01Å; S233-L236 PolarHBondContact O-N 3.32Å; S233-A237 WeakPolarHBondContact O-CB 3.27Å; S233-A237 PolarHBondContact O-N 3.08Å |
| 234 | S | 90.4 | Very high | 92.4 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 57% | 0.566 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.4 | -27.3 | 176.3 | 60 | 0 | 0 | 0 | 0 | 113.2 | G232 R238 | G232-S234 VanDerWaalsContact C-N 3.31Å; G232-S234 PolarHBondContact O-N 3.07Å; S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.49Å; S234-R238 PolarHBondContact O-N 2.87Å; S234-R238 VanDerWaalsContact O-N 3.17Å |
| 235 | C | 91.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 28% | 0.284 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.5 | -40.1 | 173.2 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | F230 G232 S233 R238 H239 | F230-C235 HydrophobicContact CB-CB 4.17Å; F230-C235 HydrophobicContact CD1-CB 3.93Å; F230-C235 HydrophobicContact CG-CB 4.3Å; G232-C235 WeakPolarHBondContact O-CB 3.36Å; G232-C235 PolarHBondContact O-N 3.5Å; S233-C235 VanDerWaalsContact C-N 3.25Å; S233-C235 PolarHBondContact O-N 3.01Å; C235-R238 PolarHBondContact SG-NH2 3.24Å; C235-H239 WeakPolarHBondContact O-CB 3.32Å; C235-H239 PolarHBondContact O-N 3.34Å |
| 236 | L | 94 | Very high | 92.4 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -51.2 | 171.5 | 171 | 59.5 | 0 | 0 | 0 | 111.6 | A222 C223 F230 G232 S233 R238 H239 R240 | A222-L236 VanDerWaalsContact O-CD2 3.26Å; A222-L236 WeakPolarHBondContact O-CD2 3.27Å; C223-L236 HydrophobicContact CB-CD1 3.61Å; F230-L236 HydrophobicContact CD2-CB 4.13Å; F230-L236 HydrophobicContact CD2-CD1 4.21Å; F230-L236 HydrophobicContact CE2-CD1 4.38Å; F230-L236 HydrophobicContact CG-CB 4.5Å; G232-L236 PolarHBondContact O-N 3.37Å; S233-L236 PolarHBondContact O-N 3.32Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.97Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 WeakPolarHBondContact O-CA 3.49Å; L236-H239 WeakPolarHBondContact O-CB 3.39Å; L236-H239 PolarHBondContact O-N 3.17Å; L236-R240 HydrophobicContact CD1-CG 4.04Å; L236-R240 PolarHBondContact O-N 3.27Å |
| 237 | A | 92.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 68 Ų | 68 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.4 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S233 | S233-A237 WeakPolarHBondContact O-CB 3.27Å; S233-A237 PolarHBondContact O-N 3.08Å |
| 238 | R | 93.4 | Very high | 92.5 | Very high | 117 Ų | 117 | 68 Ų | 68 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.7 | -29.8 | 173.1 | -176.3 | -179.7 | 64.7 | -176.2 | -8.6 | 113.1 | S234 C235 L236 Q260 | S234-R238 VanDerWaalsContact O-CB 3.25Å; S234-R238 WeakPolarHBondContact O-CB 3.49Å; S234-R238 PolarHBondContact O-N 2.87Å; S234-R238 VanDerWaalsContact O-N 3.17Å; C235-R238 PolarHBondContact SG-NH2 3.24Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.97Å; R238-Q260 HydrophobicContact CG-CG 4.21Å |
| 239 | H | 94.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.1 | -40.3 | 174.8 | 169.8 | 39.3 | 0 | 0 | 0 | 112.2 | C226 F230 C235 L236 R241 T242 H243 | C226-H239 PolarHBondContact SG-NE2 2.96Å; F230-H239 HydrophobicContact CE1-CB 4.2Å; F230-H239 HydrophobicContact CE2-CB 4.07Å; F230-H239 AromaticContact CE2-CD2 3.22Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.48Å; F230-H239 AromaticContact CE2-CG 3.88Å; F230-H239 HydrophobicContact CZ-CB 3.65Å; F230-H239 AromaticContact CZ-CD2 3.25Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.33Å; F230-H239 AromaticContact CZ-CG 3.49Å; F230-H239 VanDerWaalsContact CZ-CG 3.49Å; F230-H239 AromaticContact CZ-NE2 3.98Å; C235-H239 WeakPolarHBondContact O-CB 3.32Å; C235-H239 PolarHBondContact O-N 3.34Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 WeakPolarHBondContact O-CA 3.49Å; L236-H239 WeakPolarHBondContact O-CB 3.39Å; L236-H239 PolarHBondContact O-N 3.17Å; H239-R241 PolarHBondContact O-N 3.35Å; H239-T242 PolarHBondContact CE1-OG1 3.3Å; H239-T242 PolarHBondContact ND1-OG1 3.25Å; H239-T242 WeakPolarHBondContact O-CB 3.21Å; H239-T242 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact O-OG1 2.87Å; H239-H243 AromaticContact CE1-NE2 3.35Å; H239-H243 PolarHBondContact CE1-NE2 2.76Å; H239-H243 VanDerWaalsContact CE1-NE2 3.35Å; H239-H243 AromaticContact NE2-NE2 3.41Å; H239-H243 PolarHBondContact NE2-NE2 3.44Å |
| 240 | R | 93.9 | Very high | 92.8 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.9 | -27.2 | -179.6 | -68.1 | -166.1 | 70.8 | -123.2 | -1.7 | 113.6 | D225 L236 T242 H243 T244 | D225-R240 IonicContact OD1-NH2 3.36Å; D225-R240 PolarHBondContact OD1-NH2 3.02Å; D225-R240 IonicContact OD2-CZ 3.02Å; D225-R240 IonicContact OD2-NE 3.19Å; D225-R240 PolarHBondContact OD2-NE 3.14Å; D225-R240 IonicContact OD2-NH2 3.03Å; L236-R240 HydrophobicContact CD1-CG 4.04Å; L236-R240 PolarHBondContact O-N 3.27Å; R240-T242 PolarHBondContact O-N 3.31Å; R240-T242 VanDerWaalsContact O-N 3.14Å; R240-H243 WeakPolarHBondContact O-CA 3.35Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.41Å; R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 2.77Å |
| 241 | R | 94 | Very high | 93 | Very high | 63 Ų | 63 | 63 Ų | 63 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.9 | 169.7 | -59.1 | -169.3 | 179.5 | 148.8 | 6.7 | 115.4 | H239 H243 T244 G245 E246 A259 | H239-R241 PolarHBondContact O-N 3.35Å; R241-H243 VanDerWaalsContact C-N 3.34Å; R241-T244 WeakPolarHBondContact CA-OG1 3.22Å; R241-G245 CarbonylContact O-C 3.58Å; R241-G245 WeakPolarHBondContact O-CA 3.43Å; R241-G245 PolarHBondContact O-N 3.49Å; R241-G245 VanDerWaalsContact O-N 3.15Å; R241-E246 HydrophobicContact CB-CB 3.96Å; R241-E246 HydrophobicContact CG-CB 3.83Å; R241-E246 IonicContact NE-OE2 3.92Å; R241-E246 PolarHBondContact O-N 3.39Å; R241-A259 HydrophobicContact CB-CB 4.36Å; R241-A259 PolarHBondContact NH1-O 3.46Å |
| 242 | T | 93.2 | Very high | 93.3 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 60% | 0.601 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.3 | 172.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | H239 R240 | H239-T242 PolarHBondContact CE1-OG1 3.3Å; H239-T242 PolarHBondContact ND1-OG1 3.25Å; H239-T242 WeakPolarHBondContact O-CB 3.21Å; H239-T242 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact O-OG1 2.87Å; R240-T242 PolarHBondContact O-N 3.31Å; R240-T242 VanDerWaalsContact O-N 3.14Å |
| 243 | H | 92.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -46.5 | 170.9 | -58.4 | -61.1 | 0 | 0 | 0 | 110.8 | D225 C226 H239 R240 R241 G245 | D225-H243 HydrophobicContact CB-CB 4.48Å; D225-H243 IonicContact OD2-CD2 3.93Å; C226-H243 PolarHBondContact SG-NE2 3Å; H239-H243 AromaticContact CE1-NE2 3.35Å; H239-H243 PolarHBondContact CE1-NE2 2.76Å; H239-H243 VanDerWaalsContact CE1-NE2 3.35Å; H239-H243 AromaticContact NE2-NE2 3.41Å; H239-H243 PolarHBondContact NE2-NE2 3.44Å; R240-H243 WeakPolarHBondContact O-CA 3.35Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.41Å; R241-H243 VanDerWaalsContact C-N 3.34Å; H243-G245 VanDerWaalsContact C-N 3.26Å; H243-G245 PolarHBondContact O-N 2.45Å |
| 244 | T | 91.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -76 | -8.7 | 179.1 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | R240 R241 E246 | R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 2.77Å; R241-T244 WeakPolarHBondContact CA-OG1 3.22Å; T244-E246 WeakPolarHBondContact CB-OE1 3.25Å; T244-E246 PolarHBondContact O-N 2.83Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 VanDerWaalsContact OG1-CD 3.32Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE1 3.23Å |
| 245 | G | 91.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | trans | 69.4 | 3.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R241 H243 R247 | R241-G245 CarbonylContact O-C 3.58Å; R241-G245 WeakPolarHBondContact O-CA 3.43Å; R241-G245 PolarHBondContact O-N 3.49Å; R241-G245 VanDerWaalsContact O-N 3.15Å; H243-G245 VanDerWaalsContact C-N 3.26Å; H243-G245 PolarHBondContact O-N 2.45Å; G245-R247 WeakPolarHBondContact O-CG 3.46Å; G245-R247 PolarHBondContact O-N 3.2Å | ||
| 246 | E | 93.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | trans | -52.2 | 117.1 | -176.3 | -87.9 | 169 | -111.4 | 0 | 0 | 113.1 | R241 T244 P248 A259 | R241-E246 HydrophobicContact CB-CB 3.96Å; R241-E246 HydrophobicContact CG-CB 3.83Å; R241-E246 IonicContact NE-OE2 3.92Å; R241-E246 PolarHBondContact O-N 3.39Å; T244-E246 WeakPolarHBondContact CB-OE1 3.25Å; T244-E246 PolarHBondContact O-N 2.83Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 VanDerWaalsContact OG1-CD 3.32Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE1 3.23Å; E246-P248 WeakPolarHBondContact O-CD 3.46Å; E246-A259 WeakPolarHBondContact O-CB 3.08Å | ||
| 247 | R | 93.9 | Very high | 94 | Very high | 134 Ų | 134 | 73.2 Ų | 73.2 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | trans | -123.3 | 77.8 | 174.1 | -68.3 | 161.8 | 78.4 | 169.7 | 1.8 | 109.9 | G245 Y249 R257 F258 | G245-R247 WeakPolarHBondContact O-CG 3.46Å; G245-R247 PolarHBondContact O-N 3.2Å; R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.26Å; R247-R257 HydrophobicContact CB-CB 3.63Å; R247-R257 PolarHBondContact NE-O 3.09Å; R247-R257 PolarHBondContact NH2-O 2.87Å; R247-R257 PolarHBondContact O-NE 3.17Å; R247-R257 PolarHBondContact O-NH2 3.37Å; R247-F258 CarbonylContact C-O 3.49Å; R247-F258 VanDerWaalsContact CA-O 3.28Å; R247-F258 WeakPolarHBondContact CA-O 3.4Å | ||
| 248 | P | 93.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | trans | -66.4 | -30.5 | -173.9 | -22.8 | 35.2 | 0 | 0 | 0 | 114 | E246 R257 F258 | E246-P248 WeakPolarHBondContact O-CD 3.46Å; P248-R257 PolarHBondContact O-NH2 3.39Å; P248-F258 WeakPolarHBondContact CD-O 3.46Å | ||
| 249 | Y | 96.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 67.9 Ų | 67.9 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 102.8 | -169 | -49.8 | -80.7 | 0 | 0 | 0 | 110.8 | R247 R257 F258 S261 | R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.26Å; Y249-R257 CarbonylContact O-C 3.58Å; Y249-R257 WeakPolarHBondContact O-CA 3.43Å; Y249-F258 WeakPolarHBondContact CD2-O 3.4Å; Y249-F258 PolarHBondContact N-O 3.1Å; Y249-F258 VanDerWaalsContact N-O 3.07Å; Y249-F258 PolarHBondContact O-N 2.87Å; Y249-S261 VanDerWaalsContact CD2-N 3.27Å |
| 250 | A | 96.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 70.2 Ų | 70.2 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 147.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R257 L264 | A250-R257 HydrophobicContact CB-CG 4.19Å; A250-L264 VanDerWaalsContact O-CD2 3.25Å; A250-L264 WeakPolarHBondContact O-CD2 3.41Å |
| 251 | C | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | trans | -84.2 | 124.8 | 166.2 | -157 | 0 | 0 | 0 | 0 | 109.4 | D253 G255 T256 L264 H267 H271 | C251-D253 VanDerWaalsContact C-N 3.31Å; C251-D253 PolarHBondContact SG-OD2 3.35Å; C251-G255 VanDerWaalsContact O-CA 3.23Å; C251-G255 WeakPolarHBondContact O-CA 3.25Å; C251-G255 PolarHBondContact O-N 3.31Å; C251-T256 WeakPolarHBondContact CB-O 3.46Å; C251-T256 PolarHBondContact N-O 3.35Å; C251-L264 HydrophobicContact CB-CD1 3.58Å; C251-H267 VanDerWaalsContact SG-CD2 3.53Å; C251-H271 PolarHBondContact SG-NE2 3.09Å | ||
| 252 | A | 94.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C254 | A252-C254 PolarHBondContact O-N 3.5Å; A252-C254 VanDerWaalsContact O-N 3.09Å |
| 253 | D | 93.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 65.2 Ų | 65.2 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.6 | -172.4 | -36.1 | -49.6 | 0 | 0 | 0 | 114.8 | C251 R268 H271 | C251-D253 VanDerWaalsContact C-N 3.31Å; C251-D253 PolarHBondContact SG-OD2 3.35Å; D253-R268 IonicContact OD2-NE 2.82Å; D253-R268 PolarHBondContact OD2-NE 3.35Å; D253-H271 HydrophobicContact CB-CB 4.44Å; D253-H271 VanDerWaalsContact CB-CD2 3.49Å; D253-H271 WeakPolarHBondContact CB-CD2 3.45Å; D253-H271 IonicContact OD2-CD2 3.68Å; D253-H271 PolarHBondContact OD2-CD2 3.04Å; D253-H271 VanDerWaalsContact OD2-CD2 3.31Å |
| 254 | C | 95.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 35% | 0.345 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -159.6 | 14.3 | -175.8 | 70 | 0 | 0 | 0 | 0 | 115.7 | A252 T256 H267 H271 | A252-C254 PolarHBondContact O-N 3.5Å; A252-C254 VanDerWaalsContact O-N 3.09Å; C254-T256 PolarHBondContact O-N 2.97Å; C254-T256 PolarHBondContact SG-OG1 2.61Å; C254-T256 VanDerWaalsContact SG-OG1 3.35Å; C254-H267 PolarHBondContact SG-NE2 2.89Å; C254-H271 WeakPolarHBondContact CB-CE1 3.46Å; C254-H271 PolarHBondContact SG-CE1 2.83Å; C254-H271 PolarHBondContact SG-NE2 2.79Å |
| 255 | G | 92.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | trans | 66.2 | -14.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | C251 R257 | C251-G255 VanDerWaalsContact O-CA 3.23Å; C251-G255 WeakPolarHBondContact O-CA 3.25Å; C251-G255 PolarHBondContact O-N 3.31Å; G255-R257 VanDerWaalsContact O-CG 3.31Å; G255-R257 WeakPolarHBondContact O-CG 3.46Å; G255-R257 PolarHBondContact O-N 3.28Å | ||
| 256 | T | 95 | Very high | 94.2 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 34% | 0.337 | 38% | 0.379 | S | S | . | . | trans | -59 | 123.9 | -171.2 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | C251 C254 F258 | C251-T256 WeakPolarHBondContact CB-O 3.46Å; C251-T256 PolarHBondContact N-O 3.35Å; C254-T256 PolarHBondContact O-N 2.97Å; C254-T256 PolarHBondContact SG-OG1 2.61Å; C254-T256 VanDerWaalsContact SG-OG1 3.35Å; T256-F258 HydrophobicContact CG2-CE1 4.34Å; T256-F258 HydrophobicContact CG2-CE2 3.72Å; T256-F258 HydrophobicContact CG2-CZ 3.52Å; T256-F258 WeakPolarHBondContact O-CD2 3.34Å; T256-F258 VanDerWaalsContact O-CE2 3.25Å; T256-F258 WeakPolarHBondContact O-CE2 3.25Å | ||
| 257 | R | 95.8 | Very high | 94.3 | Very high | 123 Ų | 123 | 62.6 Ų | 62.6 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 150.9 | -174.1 | -51 | -171.3 | 65.8 | 105 | 4.6 | 113.3 | R247 P248 Y249 A250 G255 | R247-R257 HydrophobicContact CB-CB 3.63Å; R247-R257 PolarHBondContact NE-O 3.09Å; R247-R257 PolarHBondContact NH2-O 2.87Å; R247-R257 PolarHBondContact O-NE 3.17Å; R247-R257 PolarHBondContact O-NH2 3.37Å; P248-R257 PolarHBondContact O-NH2 3.39Å; Y249-R257 CarbonylContact O-C 3.58Å; Y249-R257 WeakPolarHBondContact O-CA 3.43Å; A250-R257 HydrophobicContact CB-CG 4.19Å; G255-R257 VanDerWaalsContact O-CG 3.31Å; G255-R257 WeakPolarHBondContact O-CG 3.46Å; G255-R257 PolarHBondContact O-N 3.28Å |
| 258 | F | 94.5 | Very high | 94.2 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.8 | -178.6 | -60.4 | -86.7 | 0 | 0 | 0 | 112.4 | R247 P248 Y249 T256 Q260 A263 L264 H267 | R247-F258 CarbonylContact C-O 3.49Å; R247-F258 VanDerWaalsContact CA-O 3.28Å; R247-F258 WeakPolarHBondContact CA-O 3.4Å; P248-F258 WeakPolarHBondContact CD-O 3.46Å; Y249-F258 WeakPolarHBondContact CD2-O 3.4Å; Y249-F258 PolarHBondContact N-O 3.1Å; Y249-F258 VanDerWaalsContact N-O 3.07Å; Y249-F258 PolarHBondContact O-N 2.87Å; T256-F258 HydrophobicContact CG2-CE1 4.34Å; T256-F258 HydrophobicContact CG2-CE2 3.72Å; T256-F258 HydrophobicContact CG2-CZ 3.52Å; T256-F258 WeakPolarHBondContact O-CD2 3.34Å; T256-F258 VanDerWaalsContact O-CE2 3.25Å; T256-F258 WeakPolarHBondContact O-CE2 3.25Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 2.96Å; F258-A263 HydrophobicContact CB-CB 4.22Å; F258-A263 HydrophobicContact CD1-CB 3.81Å; F258-A263 HydrophobicContact CG-CB 4.24Å; F258-L264 HydrophobicContact CB-CB 4.37Å; F258-L264 HydrophobicContact CD2-CB 3.76Å; F258-L264 HydrophobicContact CD2-CD1 3.9Å; F258-L264 HydrophobicContact CD2-CG 4.41Å; F258-L264 HydrophobicContact CE2-CB 4.44Å; F258-L264 HydrophobicContact CE2-CD1 3.96Å; F258-L264 HydrophobicContact CG-CB 4.21Å; F258-H267 HydrophobicContact CE1-CB 4.07Å; F258-H267 HydrophobicContact CE2-CB 3.91Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.43Å; F258-H267 AromaticContact CE2-CG 3.73Å; F258-H267 HydrophobicContact CZ-CB 3.44Å; F258-H267 VanDerWaalsContact CZ-CB 3.44Å; F258-H267 AromaticContact CZ-CD2 3.52Å; F258-H267 AromaticContact CZ-CG 3.31Å; F258-H267 AromaticContact CZ-ND1 3.85Å |
| 259 | A | 93.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -77.7 | -10.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R241 E246 | R241-A259 HydrophobicContact CB-CB 4.36Å; R241-A259 PolarHBondContact NH1-O 3.46Å; E246-A259 WeakPolarHBondContact O-CB 3.08Å |
| 260 | Q | 94 | Very high | 93.8 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -141.1 | 133.6 | -177 | -55.1 | -176.2 | 35.2 | 0 | 0 | 110.9 | R238 F258 S262 A263 L264 | R238-Q260 HydrophobicContact CG-CG 4.21Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 2.96Å; Q260-S262 VanDerWaalsContact C-N 3.25Å; Q260-S262 PolarHBondContact O-N 2.89Å; Q260-A263 HydrophobicContact CB-CB 4.35Å; Q260-A263 WeakPolarHBondContact O-CB 3.28Å; Q260-A263 PolarHBondContact O-N 3.02Å; Q260-L264 PolarHBondContact O-N 3.29Å |
| 261 | S | 94.5 | Very high | 93.6 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -34.8 | 176 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | Y249 A263 L264 A265 | Y249-S261 VanDerWaalsContact CD2-N 3.27Å; S261-A263 PolarHBondContact O-N 2.91Å; S261-L264 PolarHBondContact O-N 2.87Å; S261-A265 WeakPolarHBondContact O-CB 3.24Å; S261-A265 PolarHBondContact O-N 3.45Å |
| 262 | S | 92.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.9 | -14.9 | 176 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | Q260 K266 | Q260-S262 VanDerWaalsContact C-N 3.25Å; Q260-S262 PolarHBondContact O-N 2.89Å; S262-K266 VanDerWaalsContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CD 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.26Å |
| 263 | A | 93.6 | Very high | 93 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -84.8 | -43.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F258 Q260 S261 K266 H267 | F258-A263 HydrophobicContact CB-CB 4.22Å; F258-A263 HydrophobicContact CD1-CB 3.81Å; F258-A263 HydrophobicContact CG-CB 4.24Å; Q260-A263 HydrophobicContact CB-CB 4.35Å; Q260-A263 WeakPolarHBondContact O-CB 3.28Å; Q260-A263 PolarHBondContact O-N 3.02Å; S261-A263 PolarHBondContact O-N 2.91Å; A263-K266 WeakPolarHBondContact O-CB 3.26Å; A263-K266 PolarHBondContact O-N 2.82Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 2.85Å |
| 264 | L | 95.2 | Very high | 92.9 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 172.1 | 172.5 | 59.2 | 0 | 0 | 0 | 111.9 | A250 C251 F258 Q260 S261 K266 H267 R268 | A250-L264 VanDerWaalsContact O-CD2 3.25Å; A250-L264 WeakPolarHBondContact O-CD2 3.41Å; C251-L264 HydrophobicContact CB-CD1 3.58Å; F258-L264 HydrophobicContact CB-CB 4.37Å; F258-L264 HydrophobicContact CD2-CB 3.76Å; F258-L264 HydrophobicContact CD2-CD1 3.9Å; F258-L264 HydrophobicContact CD2-CG 4.41Å; F258-L264 HydrophobicContact CE2-CB 4.44Å; F258-L264 HydrophobicContact CE2-CD1 3.96Å; F258-L264 HydrophobicContact CG-CB 4.21Å; Q260-L264 PolarHBondContact O-N 3.29Å; S261-L264 PolarHBondContact O-N 2.87Å; L264-K266 PolarHBondContact O-N 3.32Å; L264-H267 WeakPolarHBondContact O-CB 3.27Å; L264-H267 PolarHBondContact O-N 3.45Å; L264-R268 HydrophobicContact CD1-CG 4.2Å; L264-R268 PolarHBondContact O-N 3.27Å |
| 265 | A | 92.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S261 | S261-A265 WeakPolarHBondContact O-CB 3.24Å; S261-A265 PolarHBondContact O-N 3.45Å |
| 266 | K | 91.8 | Very high | 92.7 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -78 | -41.7 | 170.5 | -76.3 | 170.3 | -168 | 170.5 | 0 | 111.8 | S262 A263 L264 R269 | S262-K266 VanDerWaalsContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CD 3.27Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 VanDerWaalsContact O-CG 3.24Å; S262-K266 WeakPolarHBondContact O-CG 3.26Å; A263-K266 WeakPolarHBondContact O-CB 3.26Å; A263-K266 PolarHBondContact O-N 2.82Å; L264-K266 PolarHBondContact O-N 3.32Å; K266-R269 WeakPolarHBondContact O-CB 3.37Å; K266-R269 PolarHBondContact O-N 3.37Å |
| 267 | H | 93.7 | Very high | 92.7 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 17% | 0.171 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 179.8 | 167.3 | 70.6 | 0 | 0 | 0 | 112.9 | C251 C254 F258 A263 L264 R269 V270 H271 | C251-H267 VanDerWaalsContact SG-CD2 3.53Å; C254-H267 PolarHBondContact SG-NE2 2.89Å; F258-H267 HydrophobicContact CE1-CB 4.07Å; F258-H267 HydrophobicContact CE2-CB 3.91Å; F258-H267 AromaticContact CE2-CD2 3.46Å; F258-H267 VanDerWaalsContact CE2-CD2 3.46Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.43Å; F258-H267 AromaticContact CE2-CG 3.73Å; F258-H267 HydrophobicContact CZ-CB 3.44Å; F258-H267 VanDerWaalsContact CZ-CB 3.44Å; F258-H267 AromaticContact CZ-CD2 3.52Å; F258-H267 AromaticContact CZ-CG 3.31Å; F258-H267 AromaticContact CZ-ND1 3.85Å; A263-H267 WeakPolarHBondContact O-CB 3.48Å; A263-H267 PolarHBondContact O-N 2.85Å; L264-H267 WeakPolarHBondContact O-CB 3.27Å; L264-H267 PolarHBondContact O-N 3.45Å; H267-R269 PolarHBondContact O-N 2.89Å; H267-V270 VanDerWaalsContact O-CB 3.27Å; H267-V270 WeakPolarHBondContact O-CB 3.4Å; H267-V270 WeakPolarHBondContact O-CG2 3.46Å; H267-V270 PolarHBondContact O-N 3.34Å; H267-H271 AromaticContact CD2-NE2 3.26Å; H267-H271 PolarHBondContact CD2-NE2 3.21Å; H267-H271 VanDerWaalsContact CD2-NE2 3.26Å; H267-H271 AromaticContact CE1-NE2 3.2Å; H267-H271 PolarHBondContact CE1-NE2 2.84Å; H267-H271 AromaticContact NE2-NE2 2.45Å; H267-H271 PolarHBondContact NE2-NE2 2.91Å |
| 268 | R | 92.7 | Very high | 92.6 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.4 | -23 | 176.9 | -70.2 | -169 | 72.2 | -131.7 | 0.1 | 114.3 | D253 L264 V270 H271 T272 | D253-R268 IonicContact OD2-NE 2.82Å; D253-R268 PolarHBondContact OD2-NE 3.35Å; L264-R268 HydrophobicContact CD1-CG 4.2Å; L264-R268 PolarHBondContact O-N 3.27Å; R268-V270 PolarHBondContact O-N 3.41Å; R268-H271 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-N 3.01Å |
| 269 | R | 91.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.6 | -16.4 | 172.9 | -59.4 | -179.1 | 175.2 | -176.3 | -5.2 | 114.1 | K266 H267 G273 E274 G287 | K266-R269 WeakPolarHBondContact O-CB 3.37Å; K266-R269 PolarHBondContact O-N 3.37Å; H267-R269 PolarHBondContact O-N 2.89Å; R269-G273 CarbonylContact O-C 3.22Å; R269-G273 WeakPolarHBondContact O-CA 3.34Å; R269-G273 PolarHBondContact O-N 3.14Å; R269-G273 VanDerWaalsContact O-N 3.14Å; R269-E274 HydrophobicContact CB-CB 4.15Å; R269-E274 HydrophobicContact CG-CB 4.06Å; R269-E274 PolarHBondContact O-N 3.15Å; R269-G287 PolarHBondContact NH1-O 2.85Å |
| 270 | V | 90.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 74.3 Ų | 74.3 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.4 | -40.9 | 170.9 | 180 | 0 | 0 | 0 | 0 | 109.7 | H267 R268 | H267-V270 VanDerWaalsContact O-CB 3.27Å; H267-V270 WeakPolarHBondContact O-CB 3.4Å; H267-V270 WeakPolarHBondContact O-CG2 3.46Å; H267-V270 PolarHBondContact O-N 3.34Å; R268-V270 PolarHBondContact O-N 3.41Å |
| 271 | H | 91.1 | Very high | 92.7 | Very high | 91 Ų | 91 | 76 Ų | 76 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.8 | -42.9 | 179.8 | -51.9 | -49.6 | 0 | 0 | 0 | 112.3 | C251 D253 C254 H267 R268 G273 | C251-H271 PolarHBondContact SG-NE2 3.09Å; D253-H271 HydrophobicContact CB-CB 4.44Å; D253-H271 VanDerWaalsContact CB-CD2 3.49Å; D253-H271 WeakPolarHBondContact CB-CD2 3.45Å; D253-H271 IonicContact OD2-CD2 3.68Å; D253-H271 PolarHBondContact OD2-CD2 3.04Å; D253-H271 VanDerWaalsContact OD2-CD2 3.31Å; C254-H271 WeakPolarHBondContact CB-CE1 3.46Å; C254-H271 PolarHBondContact SG-CE1 2.83Å; C254-H271 PolarHBondContact SG-NE2 2.79Å; H267-H271 AromaticContact CD2-NE2 3.26Å; H267-H271 PolarHBondContact CD2-NE2 3.21Å; H267-H271 VanDerWaalsContact CD2-NE2 3.26Å; H267-H271 AromaticContact CE1-NE2 3.2Å; H267-H271 PolarHBondContact CE1-NE2 2.84Å; H267-H271 AromaticContact NE2-NE2 2.45Å; H267-H271 PolarHBondContact NE2-NE2 2.91Å; R268-H271 PolarHBondContact O-N 3.41Å; H271-G273 VanDerWaalsContact C-N 3.26Å; H271-G273 PolarHBondContact O-N 3.35Å |
| 272 | T | 89.4 | Confident | 92.7 | Very high | 70 Ų | 70 | 75.4 Ų | 75.4 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -79 | -5.4 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 114 | R268 E274 | R268-T272 PolarHBondContact O-N 3.01Å; T272-E274 PolarHBondContact O-N 3.03Å; T272-E274 WeakPolarHBondContact OG1-CB 3.47Å; T272-E274 VanDerWaalsContact OG1-CG 3.32Å; T272-E274 WeakPolarHBondContact OG1-CG 3.48Å; T272-E274 PolarHBondContact OG1-OE1 3.02Å |
| 273 | G | 89.2 | Confident | 92.6 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | trans | 64.9 | 3.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R269 H271 K275 | R269-G273 CarbonylContact O-C 3.22Å; R269-G273 WeakPolarHBondContact O-CA 3.34Å; R269-G273 PolarHBondContact O-N 3.14Å; R269-G273 VanDerWaalsContact O-N 3.14Å; H271-G273 VanDerWaalsContact C-N 3.26Å; H271-G273 PolarHBondContact O-N 3.35Å; G273-K275 WeakPolarHBondContact O-CG 3.28Å; G273-K275 PolarHBondContact O-N 3.07Å | ||
| 274 | E | 91.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 80.4 Ų | 80.4 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | trans | -55.8 | 121.5 | -172.2 | -90.8 | 172.6 | -116.8 | 0 | 0 | 113.4 | R269 T272 P276 | R269-E274 HydrophobicContact CB-CB 4.15Å; R269-E274 HydrophobicContact CG-CB 4.06Å; R269-E274 PolarHBondContact O-N 3.15Å; T272-E274 PolarHBondContact O-N 3.03Å; T272-E274 WeakPolarHBondContact OG1-CB 3.47Å; T272-E274 VanDerWaalsContact OG1-CG 3.32Å; T272-E274 WeakPolarHBondContact OG1-CG 3.48Å; T272-E274 PolarHBondContact OG1-OE1 3.02Å; E274-P276 WeakPolarHBondContact O-CD 3.44Å | ||
| 275 | K | 92 | Very high | 92.6 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | trans | -123.8 | 79.8 | 174.7 | -68.1 | 161 | -166.7 | 170.6 | 0 | 109.7 | G273 H277 R285 F286 | G273-K275 WeakPolarHBondContact O-CG 3.28Å; G273-K275 PolarHBondContact O-N 3.07Å; K275-H277 VanDerWaalsContact C-N 3.28Å; K275-H277 PolarHBondContact O-N 2.77Å; K275-R285 HydrophobicContact CB-CB 3.59Å; K275-R285 PolarHBondContact O-NE 3.34Å; K275-R285 PolarHBondContact O-NH2 2.87Å; K275-R285 VanDerWaalsContact O-NH2 3.14Å; K275-F286 CarbonylContact C-O 3.55Å; K275-F286 WeakPolarHBondContact CA-O 3.2Å | ||
| 276 | P | 91.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 85.3 Ų | 85.3 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | trans | -68 | -24.2 | -174 | -22.4 | 35.5 | 0 | 0 | 0 | 114 | E274 | E274-P276 WeakPolarHBondContact O-CD 3.44Š| ||
| 277 | H | 94 | Very high | 92.4 | Very high | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.25 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 98.7 | -170.2 | -53.4 | -68.4 | 0 | 0 | 0 | 110.8 | K275 R285 F286 R289 L292 | K275-H277 VanDerWaalsContact C-N 3.28Å; K275-H277 PolarHBondContact O-N 2.77Å; H277-R285 CarbonylContact O-C 3.5Å; H277-R285 WeakPolarHBondContact O-CA 3.38Å; H277-F286 HydrophobicContact CB-CB 4.4Å; H277-F286 WeakPolarHBondContact CB-O 3.42Å; H277-F286 PolarHBondContact CD2-O 2.81Å; H277-F286 PolarHBondContact N-O 3.39Å; H277-F286 VanDerWaalsContact N-O 3.1Å; H277-F286 PolarHBondContact O-N 2.79Å; H277-R289 PolarHBondContact CD2-N 3.33Å; H277-R289 VanDerWaalsContact CD2-N 3.27Å; H277-R289 PolarHBondContact NE2-N 3.06Å; H277-L292 HydrophobicContact CB-CB 4.22Å; H277-L292 HydrophobicContact CB-CD2 3.87Å |
| 278 | R | 95.3 | Very high | 92.2 | Very high | 160 Ų | 160 | 82.7 Ų | 82.7 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.9 | 175.8 | -175.2 | 174.9 | -176.9 | -109.3 | 2.6 | 111.1 | R285 L292 | R278-R285 HydrophobicContact CB-CG 4.3Å; R278-R285 HydrophobicContact CG-CG 4.34Å; R278-L292 WeakPolarHBondContact O-CD2 3.23Å |
| 279 | C | 95.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 86.5 Ų | 86.5 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | trans | -79.2 | 128.3 | 166 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | G283 R284 F286 L292 H299 | C279-G283 VanDerWaalsContact O-CA 3.27Å; C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.16Å; C279-R284 WeakPolarHBondContact CB-O 3.31Å; C279-R284 PolarHBondContact N-O 3.24Å; C279-F286 HydrophobicContact CB-CE2 4.38Å; C279-L292 HydrophobicContact CB-CD1 3.59Å; C279-H299 PolarHBondContact SG-NE2 3.44Å | ||
| 280 | A | 93.7 | Very high | 92.1 | Very high | 93 Ų | 93 | 86.6 Ų | 86.6 | 77% | 0.769 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 281 | V | 94.1 | Very high | 92.2 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 67% | 0.673 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -45.8 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | H299 | V281-H299 HydrophobicContact CG1-CB 4.48Š|
| 282 | C | 94.8 | Very high | 92.3 | Very high | 52 Ų | 52 | 82.2 Ų | 82.2 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 10 | -170 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | R284 H295 | C282-R284 PolarHBondContact O-N 2.86Å; C282-H295 PolarHBondContact SG-NE2 3.09Å |
| 283 | G | 91.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 81.3 Ų | 81.3 | 26% | 0.258 | 43% | 0.425 | S | S | . | . | trans | 67.3 | -12.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | C279 | C279-G283 VanDerWaalsContact O-CA 3.27Å; C279-G283 WeakPolarHBondContact O-CA 3.42Å; C279-G283 PolarHBondContact O-N 3.16Å | ||
| 284 | R | 93.6 | Very high | 92.6 | Very high | 171 Ų | 171 | 83.2 Ų | 83.2 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | trans | -57.3 | 138.4 | -177.4 | -69.9 | -176.3 | 175.5 | -163.6 | -2.3 | 111.9 | C279 C282 F286 | C279-R284 WeakPolarHBondContact CB-O 3.31Å; C279-R284 PolarHBondContact N-O 3.24Å; C282-R284 PolarHBondContact O-N 2.86Å; R284-F286 HydrophobicContact CB-CE2 3.86Å; R284-F286 HydrophobicContact CB-CZ 4.09Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å | ||
| 285 | R | 93.9 | Very high | 92.7 | Very high | 150 Ų | 150 | 79.7 Ų | 79.7 | 57% | 0.566 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141 | -174.8 | -56.5 | -176.6 | 67.6 | 148 | 2 | 112.2 | K275 H277 R278 | K275-R285 HydrophobicContact CB-CB 3.59Å; K275-R285 PolarHBondContact O-NE 3.34Å; K275-R285 PolarHBondContact O-NH2 2.87Å; K275-R285 VanDerWaalsContact O-NH2 3.14Å; H277-R285 CarbonylContact O-C 3.5Å; H277-R285 WeakPolarHBondContact O-CA 3.38Å; R278-R285 HydrophobicContact CB-CG 4.3Å; R278-R285 HydrophobicContact CG-CG 4.34Å |
| 286 | F | 91.6 | Very high | 92.7 | Very high | 43 Ų | 43 | 75.8 Ų | 75.8 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.7 | -174.7 | -59.5 | -92.7 | 0 | 0 | 0 | 112 | K275 H277 C279 R284 H288 N291 L292 H295 | K275-F286 CarbonylContact C-O 3.55Å; K275-F286 WeakPolarHBondContact CA-O 3.2Å; H277-F286 HydrophobicContact CB-CB 4.4Å; H277-F286 WeakPolarHBondContact CB-O 3.42Å; H277-F286 PolarHBondContact CD2-O 2.81Å; H277-F286 PolarHBondContact N-O 3.39Å; H277-F286 VanDerWaalsContact N-O 3.1Å; H277-F286 PolarHBondContact O-N 2.79Å; C279-F286 HydrophobicContact CB-CE2 4.38Å; R284-F286 HydrophobicContact CB-CE2 3.86Å; R284-F286 HydrophobicContact CB-CZ 4.09Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å; F286-H288 VanDerWaalsContact C-N 3.28Å; F286-H288 PolarHBondContact O-N 2.88Å; F286-N291 HydrophobicContact CB-CB 4.43Å; F286-N291 HydrophobicContact CD1-CB 3.95Å; F286-L292 HydrophobicContact CB-CB 4.3Å; F286-L292 HydrophobicContact CD2-CB 3.99Å; F286-L292 HydrophobicContact CD2-CD1 3.89Å; F286-L292 HydrophobicContact CE2-CD1 4.05Å; F286-L292 HydrophobicContact CG-CB 4.23Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 4.18Å; F286-H295 AromaticContact CE2-CD2 3.38Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.46Å; F286-H295 AromaticContact CE2-CG 3.98Å; F286-H295 HydrophobicContact CZ-CB 3.6Å; F286-H295 AromaticContact CZ-CD2 3.25Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.28Å; F286-H295 AromaticContact CZ-CG 3.44Å; F286-H295 VanDerWaalsContact CZ-CG 3.44Å |
| 287 | G | 89.5 | Confident | 92.7 | Very high | 19 Ų | 19 | 75.5 Ų | 75.5 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -72.3 | -17.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R269 | R269-G287 PolarHBondContact NH1-O 2.85Š|
| 288 | H | 89.4 | Confident | 92.6 | Very high | 74 Ų | 74 | 76 Ų | 76 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -137.2 | 140.4 | -178.8 | -57.6 | -76.4 | 0 | 0 | 0 | 112.7 | F286 S290 N291 L292 | F286-H288 VanDerWaalsContact C-N 3.28Å; F286-H288 PolarHBondContact O-N 2.88Å; H288-S290 VanDerWaalsContact C-N 3.26Å; H288-S290 WeakPolarHBondContact CB-OG 3.47Å; H288-S290 PolarHBondContact O-N 2.98Å; H288-N291 PolarHBondContact O-N 2.86Å; H288-L292 PolarHBondContact O-N 3.26Å |
| 289 | R | 90.9 | Very high | 92.4 | Very high | 202 Ų | 202 | 71.9 Ų | 71.9 | 76% | 0.762 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.9 | -31.9 | 175.1 | -175.2 | 175.4 | 177.4 | 171.3 | 0.5 | 113.2 | H277 N291 L292 A293 | H277-R289 PolarHBondContact CD2-N 3.33Å; H277-R289 VanDerWaalsContact CD2-N 3.27Å; H277-R289 PolarHBondContact NE2-N 3.06Å; R289-N291 PolarHBondContact O-N 2.87Å; R289-L292 PolarHBondContact O-N 2.87Å; R289-A293 WeakPolarHBondContact O-CB 3.4Å; R289-A293 PolarHBondContact O-N 3.46Å |
| 290 | S | 90.7 | Very high | 92.2 | Very high | 77 Ų | 77 | 75.7 Ų | 75.7 | 54% | 0.538 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.2 | -47 | 173.6 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | H288 A293 E294 | H288-S290 VanDerWaalsContact C-N 3.26Å; H288-S290 WeakPolarHBondContact CB-OG 3.47Å; H288-S290 PolarHBondContact O-N 2.98Å; S290-A293 PolarHBondContact O-N 3.08Å; S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 PolarHBondContact O-N 2.86Å |
| 291 | N | 92.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.8 | -31.9 | -175.1 | -55.9 | 38.2 | 0 | 0 | 0 | 110.7 | F286 H288 R289 H295 | F286-N291 HydrophobicContact CB-CB 4.43Å; F286-N291 HydrophobicContact CD1-CB 3.95Å; H288-N291 PolarHBondContact O-N 2.86Å; R289-N291 PolarHBondContact O-N 2.87Å; N291-H295 VanDerWaalsContact O-CB 3.26Å; N291-H295 WeakPolarHBondContact O-CB 3.22Å; N291-H295 PolarHBondContact O-N 2.88Å |
| 292 | L | 94.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 72.5 Ų | 72.5 | 18% | 0.183 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 168.8 | 173.4 | 61.8 | 0 | 0 | 0 | 111.8 | H277 R278 C279 F286 H288 R289 H295 A296 | H277-L292 HydrophobicContact CB-CB 4.22Å; H277-L292 HydrophobicContact CB-CD2 3.87Å; R278-L292 WeakPolarHBondContact O-CD2 3.23Å; C279-L292 HydrophobicContact CB-CD1 3.59Å; F286-L292 HydrophobicContact CB-CB 4.3Å; F286-L292 HydrophobicContact CD2-CB 3.99Å; F286-L292 HydrophobicContact CD2-CD1 3.89Å; F286-L292 HydrophobicContact CE2-CD1 4.05Å; F286-L292 HydrophobicContact CG-CB 4.23Å; H288-L292 PolarHBondContact O-N 3.26Å; R289-L292 PolarHBondContact O-N 2.87Å; L292-H295 PolarHBondContact O-N 3.21Å; L292-A296 PolarHBondContact O-N 3.47Å |
| 293 | A | 92.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R289 S290 | R289-A293 WeakPolarHBondContact O-CB 3.4Å; R289-A293 PolarHBondContact O-N 3.46Å; S290-A293 PolarHBondContact O-N 3.08Å |
| 294 | E | 92 | Very high | 91.4 | Very high | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 169.5 | -177.6 | -172.8 | 134.2 | 0 | 0 | 111.6 | S290 A296 R297 L316 | S290-E294 WeakPolarHBondContact O-CB 3.18Å; S290-E294 PolarHBondContact O-N 2.86Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-A296 PolarHBondContact O-N 3.4Å; E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.08Å; E294-L316 VanDerWaalsContact CD-CD2 3.44Å; E294-L316 HydrophobicContact CG-CD2 3.98Å; E294-L316 HydrophobicContact CG-CG 4.19Å |
| 295 | H | 93.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 73.2 Ų | 73.2 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 176.8 | 174 | 43.1 | 0 | 0 | 0 | 112.8 | C282 F286 N291 L292 R297 T298 H299 | C282-H295 PolarHBondContact SG-NE2 3.09Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 4.18Å; F286-H295 AromaticContact CE2-CD2 3.38Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.46Å; F286-H295 AromaticContact CE2-CG 3.98Å; F286-H295 HydrophobicContact CZ-CB 3.6Å; F286-H295 AromaticContact CZ-CD2 3.25Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.28Å; F286-H295 AromaticContact CZ-CG 3.44Å; F286-H295 VanDerWaalsContact CZ-CG 3.44Å; N291-H295 VanDerWaalsContact O-CB 3.26Å; N291-H295 WeakPolarHBondContact O-CB 3.22Å; N291-H295 PolarHBondContact O-N 2.88Å; L292-H295 PolarHBondContact O-N 3.21Å; H295-R297 PolarHBondContact O-N 3.25Å; H295-R297 VanDerWaalsContact O-N 3.09Å; H295-T298 PolarHBondContact CE1-OG1 2.9Å; H295-T298 VanDerWaalsContact CE1-OG1 3.23Å; H295-T298 PolarHBondContact ND1-OG1 3.43Å; H295-T298 VanDerWaalsContact ND1-OG1 3.1Å; H295-T298 WeakPolarHBondContact O-CB 3.46Å; H295-T298 PolarHBondContact O-N 2.94Å; H295-T298 PolarHBondContact O-OG1 3.31Å; H295-H299 AromaticContact CD2-NE2 3.95Å; H295-H299 AromaticContact CE1-CE1 3.56Å; H295-H299 AromaticContact CE1-NE2 3.34Å; H295-H299 PolarHBondContact CE1-NE2 3.03Å; H295-H299 VanDerWaalsContact CE1-NE2 3.34Å; H295-H299 AromaticContact NE2-CE1 3.74Å; H295-H299 AromaticContact NE2-NE2 3.15Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å; H295-H299 VanDerWaalsContact NE2-NE2 3.15Å |
| 296 | A | 92.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.2 | -32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L292 E294 T298 H299 T300 | L292-A296 PolarHBondContact O-N 3.47Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-A296 PolarHBondContact O-N 3.4Å; A296-T298 PolarHBondContact O-N 3.45Å; A296-T298 VanDerWaalsContact O-N 3.16Å; A296-H299 WeakPolarHBondContact O-CB 3.24Å; A296-H299 PolarHBondContact O-N 3.28Å; A296-T300 PolarHBondContact O-N 3.16Å; A296-T300 VanDerWaalsContact O-N 3.15Å |
| 297 | R | 92.5 | Very high | 91.1 | Very high | 51 Ų | 51 | 67.3 Ų | 67.3 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.1 | 174.6 | -53.7 | -172.1 | -168.9 | 120.2 | 12.1 | 115 | E294 H295 H299 G301 E302 R315 | E294-R297 WeakPolarHBondContact O-CB 3.19Å; E294-R297 PolarHBondContact O-N 3.08Å; H295-R297 PolarHBondContact O-N 3.25Å; H295-R297 VanDerWaalsContact O-N 3.09Å; R297-H299 VanDerWaalsContact C-N 3.32Å; R297-G301 PolarHBondContact O-N 3.41Å; R297-E302 HydrophobicContact CB-CB 3.99Å; R297-E302 HydrophobicContact CG-CB 3.91Å; R297-E302 IonicContact NE-OE2 3.41Å; R297-R315 PolarHBondContact NH1-O 3.35Å |
| 298 | T | 91.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.5 | 169.1 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | H295 A296 | H295-T298 PolarHBondContact CE1-OG1 2.9Å; H295-T298 VanDerWaalsContact CE1-OG1 3.23Å; H295-T298 PolarHBondContact ND1-OG1 3.43Å; H295-T298 VanDerWaalsContact ND1-OG1 3.1Å; H295-T298 WeakPolarHBondContact O-CB 3.46Å; H295-T298 PolarHBondContact O-N 2.94Å; H295-T298 PolarHBondContact O-OG1 3.31Å; A296-T298 PolarHBondContact O-N 3.45Å; A296-T298 VanDerWaalsContact O-N 3.16Å |
| 299 | H | 91.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 71.6 Ų | 71.6 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -42.3 | 177.5 | -51.4 | -48.6 | 0 | 0 | 0 | 111.3 | C279 V281 H295 A296 R297 G301 | C279-H299 PolarHBondContact SG-NE2 3.44Å; V281-H299 HydrophobicContact CG1-CB 4.48Å; H295-H299 AromaticContact CD2-NE2 3.95Å; H295-H299 AromaticContact CE1-CE1 3.56Å; H295-H299 AromaticContact CE1-NE2 3.34Å; H295-H299 PolarHBondContact CE1-NE2 3.03Å; H295-H299 VanDerWaalsContact CE1-NE2 3.34Å; H295-H299 AromaticContact NE2-CE1 3.74Å; H295-H299 AromaticContact NE2-NE2 3.15Å; H295-H299 PolarHBondContact NE2-NE2 3.34Å; H295-H299 VanDerWaalsContact NE2-NE2 3.15Å; A296-H299 WeakPolarHBondContact O-CB 3.24Å; A296-H299 PolarHBondContact O-N 3.28Å; R297-H299 VanDerWaalsContact C-N 3.32Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 2.68Å |
| 300 | T | 89.6 | Confident | 90.2 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -79.9 | -7.5 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 114 | A296 E302 | A296-T300 PolarHBondContact O-N 3.16Å; A296-T300 VanDerWaalsContact O-N 3.15Å; T300-E302 WeakPolarHBondContact CB-OE1 3.49Å; T300-E302 PolarHBondContact O-N 3Å; T300-E302 VanDerWaalsContact O-N 3.09Å; T300-E302 VanDerWaalsContact OG1-CD 3.3Å; T300-E302 WeakPolarHBondContact OG1-CG 3.45Å; T300-E302 PolarHBondContact OG1-OE1 3.15Å |
| 301 | G | 88.2 | Confident | 89.8 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | trans | 70.1 | -2.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R297 H299 R303 | R297-G301 PolarHBondContact O-N 3.41Å; H299-G301 VanDerWaalsContact C-N 3.29Å; H299-G301 PolarHBondContact O-N 2.68Å; G301-R303 PolarHBondContact O-N 2.98Å | ||
| 302 | E | 90.8 | Very high | 89.5 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | trans | -48.8 | 127.9 | -173.9 | -85.3 | 167.8 | -113.4 | 0 | 0 | 114.3 | R297 T300 P304 R315 | R297-E302 HydrophobicContact CB-CB 3.99Å; R297-E302 HydrophobicContact CG-CB 3.91Å; R297-E302 IonicContact NE-OE2 3.41Å; T300-E302 WeakPolarHBondContact CB-OE1 3.49Å; T300-E302 PolarHBondContact O-N 3Å; T300-E302 VanDerWaalsContact O-N 3.09Å; T300-E302 VanDerWaalsContact OG1-CD 3.3Å; T300-E302 WeakPolarHBondContact OG1-CG 3.45Å; T300-E302 PolarHBondContact OG1-OE1 3.15Å; E302-P304 HydrophobicContact CB-CG 4.48Å; E302-R315 WeakPolarHBondContact O-CG 3.4Å | ||
| 303 | R | 89.6 | Confident | 89.4 | Confident | 135 Ų | 135 | 72.2 Ų | 72.2 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | trans | -125.5 | 79.3 | 173 | -65.2 | 161.4 | 81.3 | 166.5 | 2.6 | 109.7 | G301 Y305 R313 F314 R315 | G301-R303 PolarHBondContact O-N 2.98Å; R303-Y305 PolarHBondContact O-N 3.23Å; R303-R313 HydrophobicContact CB-CB 3.56Å; R303-R313 HydrophobicContact CG-CB 4.47Å; R303-R313 VanDerWaalsContact CZ-O 3.25Å; R303-R313 PolarHBondContact NE-O 3.22Å; R303-R313 PolarHBondContact NH2-O 3.17Å; R303-R313 PolarHBondContact O-NE 3.46Å; R303-R313 PolarHBondContact O-NH2 3.36Å; R303-R313 VanDerWaalsContact O-NH2 3.13Å; R303-F314 CarbonylContact C-O 3.28Å; R303-F314 VanDerWaalsContact C-O 3.28Å; R303-F314 VanDerWaalsContact CA-O 3.29Å; R303-F314 WeakPolarHBondContact CA-O 3.38Å; R303-R315 HydrophobicContact CG-CG 3.89Å | ||
| 304 | P | 90.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | trans | -70.5 | -13.9 | -172.3 | -20.2 | 34.3 | 0 | 0 | 0 | 114.8 | E302 P306 F314 | E302-P304 HydrophobicContact CB-CG 4.48Å; P304-P306 WeakPolarHBondContact O-CD 3.29Å; P304-F314 WeakPolarHBondContact CD-O 3.42Å | ||
| 305 | Y | 92.3 | Very high | 89.1 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 87.5 | -174 | -52.3 | -75.7 | 0 | 0 | 0 | 110.8 | R303 R313 F314 L316 S317 F320 | R303-Y305 PolarHBondContact O-N 3.23Å; Y305-R313 CarbonylContact O-C 3.53Å; Y305-R313 WeakPolarHBondContact O-CA 3.47Å; Y305-F314 WeakPolarHBondContact CD2-O 3.43Å; Y305-F314 PolarHBondContact N-O 3.43Å; Y305-F314 PolarHBondContact O-N 2.82Å; Y305-L316 VanDerWaalsContact CD2-C 3.44Å; Y305-S317 VanDerWaalsContact CE2-N 3.33Å; Y305-F320 HydrophobicContact CG-CB 4.47Å |
| 306 | P | 90.6 | Very high | 88.9 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 148.2 | 171.8 | 32.2 | -35.3 | 0 | 0 | 0 | 111.5 | P304 R313 F320 | P304-P306 WeakPolarHBondContact O-CD 3.29Å; P306-R313 HydrophobicContact CB-CG 4.22Å; P306-F320 WeakPolarHBondContact O-CE2 3.33Å |
| 307 | C | 88.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.02 | 40% | 0.401 | C | S | . | . | trans | -99.3 | 115.3 | 166.9 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | E309 C310 G311 R312 F314 F320 H327 | C307-E309 PolarHBondContact O-N 2.87Å; C307-C310 PolarHBondContact O-N 2.86Å; C307-G311 VanDerWaalsContact O-CA 3.3Å; C307-G311 WeakPolarHBondContact O-CA 3.41Å; C307-G311 PolarHBondContact O-N 2.98Å; C307-R312 VanDerWaalsContact CB-O 3.29Å; C307-R312 WeakPolarHBondContact CB-O 3.32Å; C307-R312 PolarHBondContact N-O 3.32Å; C307-F314 HydrophobicContact CB-CE2 4.44Å; C307-F320 HydrophobicContact CB-CD2 4.38Å; C307-F320 HydrophobicContact CB-CE2 4.04Å; C307-H327 PolarHBondContact SG-NE2 3.3Å | ||
| 308 | A | 86 | Confident | 88.7 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 92% | 0.917 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C310 | A308-C310 VanDerWaalsContact C-N 3.31Å; A308-C310 PolarHBondContact O-N 3.04Å |
| 309 | E | 79.6 | Confident | 88.7 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.7 | -176.2 | -62.7 | 172.8 | -94.6 | 0 | 0 | 114.2 | C307 H327 R331 | C307-E309 PolarHBondContact O-N 2.87Å; E309-H327 IonicContact OE1-CD2 3.35Å; E309-H327 IonicContact OE1-CG 3.5Å; E309-H327 WeakPolarHBondContact OE2-CB 3.4Å; E309-H327 IonicContact OE2-CG 3.09Å; E309-R331 IonicContact OE2-CZ 3.71Å; E309-R331 IonicContact OE2-NE 3.92Å; E309-R331 IonicContact OE2-NH1 2.58Å; E309-R331 PolarHBondContact OE2-NH1 2.89Å |
| 310 | C | 85.8 | Confident | 88.7 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.8 | 20.2 | -179.4 | 68.4 | 0 | 0 | 0 | 0 | 115.7 | C307 A308 R312 H323 H327 | C307-C310 PolarHBondContact O-N 2.86Å; A308-C310 VanDerWaalsContact C-N 3.31Å; A308-C310 PolarHBondContact O-N 3.04Å; C310-R312 PolarHBondContact O-N 3.32Å; C310-H323 PolarHBondContact SG-NE2 3.25Å; C310-H327 WeakPolarHBondContact CB-CE1 3.37Å; C310-H327 PolarHBondContact SG-CE1 3.44Å; C310-H327 PolarHBondContact SG-NE2 3.38Å |
| 311 | G | 83.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | trans | 66.6 | -17.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | C307 R313 | C307-G311 VanDerWaalsContact O-CA 3.3Å; C307-G311 WeakPolarHBondContact O-CA 3.41Å; C307-G311 PolarHBondContact O-N 2.98Å; G311-R313 WeakPolarHBondContact O-CG 3.49Å; G311-R313 PolarHBondContact O-N 3.19Å | ||
| 312 | R | 86.4 | Confident | 88.8 | Confident | 166 Ų | 166 | 79.9 Ų | 79.9 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | trans | -59.8 | 119.2 | -172.5 | -69.4 | -175.1 | 179.4 | -155.6 | -1.9 | 111.7 | C307 C310 F314 | C307-R312 VanDerWaalsContact CB-O 3.29Å; C307-R312 WeakPolarHBondContact CB-O 3.32Å; C307-R312 PolarHBondContact N-O 3.32Å; C310-R312 PolarHBondContact O-N 3.32Å; R312-F314 HydrophobicContact CB-CE2 3.98Å; R312-F314 HydrophobicContact CB-CZ 4.11Å; R312-F314 WeakPolarHBondContact O-CD2 3.47Å; R312-F314 WeakPolarHBondContact O-CE2 3.45Å | ||
| 313 | R | 91.2 | Very high | 88.6 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.9 | 178.6 | -47.9 | -174.6 | 66.1 | 125 | -0.9 | 112.4 | R303 Y305 P306 G311 | R303-R313 HydrophobicContact CB-CB 3.56Å; R303-R313 HydrophobicContact CG-CB 4.47Å; R303-R313 VanDerWaalsContact CZ-O 3.25Å; R303-R313 PolarHBondContact NE-O 3.22Å; R303-R313 PolarHBondContact NH2-O 3.17Å; R303-R313 PolarHBondContact O-NE 3.46Å; R303-R313 PolarHBondContact O-NH2 3.36Å; R303-R313 VanDerWaalsContact O-NH2 3.13Å; Y305-R313 CarbonylContact O-C 3.53Å; Y305-R313 WeakPolarHBondContact O-CA 3.47Å; P306-R313 HydrophobicContact CB-CG 4.22Å; G311-R313 WeakPolarHBondContact O-CG 3.49Å; G311-R313 PolarHBondContact O-N 3.19Å |
| 314 | F | 88.5 | Confident | 88.4 | Confident | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.8 | -179.9 | -58.2 | -93.2 | 0 | 0 | 0 | 111.8 | R303 P304 Y305 C307 R312 H319 F320 H323 | R303-F314 CarbonylContact C-O 3.28Å; R303-F314 VanDerWaalsContact C-O 3.28Å; R303-F314 VanDerWaalsContact CA-O 3.29Å; R303-F314 WeakPolarHBondContact CA-O 3.38Å; P304-F314 WeakPolarHBondContact CD-O 3.42Å; Y305-F314 WeakPolarHBondContact CD2-O 3.43Å; Y305-F314 PolarHBondContact N-O 3.43Å; Y305-F314 PolarHBondContact O-N 2.82Å; C307-F314 HydrophobicContact CB-CE2 4.44Å; R312-F314 HydrophobicContact CB-CE2 3.98Å; R312-F314 HydrophobicContact CB-CZ 4.11Å; R312-F314 WeakPolarHBondContact O-CD2 3.47Å; R312-F314 WeakPolarHBondContact O-CE2 3.45Å; F314-H319 HydrophobicContact CD1-CB 3.92Å; F314-F320 HydrophobicContact CB-CB 4.14Å; F314-F320 HydrophobicContact CD2-CB 3.92Å; F314-F320 HydrophobicContact CD2-CD2 4.09Å; F314-F320 HydrophobicContact CD2-CG 4.49Å; F314-F320 HydrophobicContact CE2-CD2 4.39Å; F314-F320 HydrophobicContact CG-CB 4.13Å; F314-H323 HydrophobicContact CE1-CB 4.16Å; F314-H323 HydrophobicContact CE2-CB 4.11Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.23Å; F314-H323 AromaticContact CE2-CG 3.86Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.33Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.29Å; F314-H323 AromaticContact CZ-CG 3.42Å; F314-H323 VanDerWaalsContact CZ-CG 3.42Å |
| 315 | R | 88.9 | Confident | 88.2 | Confident | 131 Ų | 131 | 81.3 Ų | 81.3 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -74.9 | -15.4 | 171.8 | -47.2 | -172.8 | -164.3 | 131.4 | 1.1 | 113.1 | R297 E302 R303 | R297-R315 PolarHBondContact NH1-O 3.35Å; E302-R315 WeakPolarHBondContact O-CG 3.4Å; R303-R315 HydrophobicContact CG-CG 3.89Å |
| 316 | L | 89.1 | Confident | 87.7 | Confident | 30 Ų | 30 | 80 Ų | 80 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | trans | -134.3 | 130.7 | -164.9 | -103.2 | 174.4 | 0 | 0 | 0 | 111.2 | E294 Y305 H319 F320 | E294-L316 VanDerWaalsContact CD-CD2 3.44Å; E294-L316 HydrophobicContact CG-CD2 3.98Å; E294-L316 HydrophobicContact CG-CG 4.19Å; Y305-L316 VanDerWaalsContact CD2-C 3.44Å; L316-H319 HydrophobicContact CB-CB 4.01Å; L316-H319 PolarHBondContact O-N 3.4Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-F320 VanDerWaalsContact O-N 3.08Å | ||
| 317 | S | 91.3 | Very high | 87 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | Y305 H319 F320 I321 | Y305-S317 VanDerWaalsContact CE2-N 3.33Å; S317-H319 PolarHBondContact O-N 3.44Å; S317-F320 PolarHBondContact O-N 2.97Å; S317-I321 WeakPolarHBondContact O-CB 3.26Å; S317-I321 WeakPolarHBondContact O-CD1 3.39Å; S317-I321 VanDerWaalsContact O-CG1 3.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.4Å; S317-I321 PolarHBondContact O-N 2.84Å |
| 318 | S | 90.6 | Very high | 86.1 | Confident | 62 Ų | 62 | 84 Ų | 84 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | R322 | S318-R322 WeakPolarHBondContact O-CB 3.47Å; S318-R322 PolarHBondContact O-N 3.16Å |
| 319 | H | 91 | Very high | 85 | Confident | 79 Ų | 79 | 89 Ų | 89 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 177 | -70.1 | -174.6 | 0 | 0 | 0 | 111.7 | F314 L316 S317 R322 H323 | F314-H319 HydrophobicContact CD1-CB 3.92Å; L316-H319 HydrophobicContact CB-CB 4.01Å; L316-H319 PolarHBondContact O-N 3.4Å; S317-H319 PolarHBondContact O-N 3.44Å; H319-R322 PolarHBondContact CD2-NH2 3.03Å; H319-R322 PolarHBondContact NE2-NH2 3.47Å; H319-R322 PolarHBondContact O-N 3Å; H319-H323 WeakPolarHBondContact O-CB 3.4Å; H319-H323 PolarHBondContact O-N 2.91Å |
| 320 | F | 91.7 | Very high | 84.1 | Confident | 37 Ų | 37 | 95.4 Ų | 95.4 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 172.9 | 168.4 | -119.5 | 0 | 0 | 0 | 112.5 | Y305 P306 C307 F314 L316 S317 R322 H323 R324 | Y305-F320 HydrophobicContact CG-CB 4.47Å; P306-F320 WeakPolarHBondContact O-CE2 3.33Å; C307-F320 HydrophobicContact CB-CD2 4.38Å; C307-F320 HydrophobicContact CB-CE2 4.04Å; F314-F320 HydrophobicContact CB-CB 4.14Å; F314-F320 HydrophobicContact CD2-CB 3.92Å; F314-F320 HydrophobicContact CD2-CD2 4.09Å; F314-F320 HydrophobicContact CD2-CG 4.49Å; F314-F320 HydrophobicContact CE2-CD2 4.39Å; F314-F320 HydrophobicContact CG-CB 4.13Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-F320 VanDerWaalsContact O-N 3.08Å; S317-F320 PolarHBondContact O-N 2.97Å; F320-R322 PolarHBondContact O-N 2.87Å; F320-H323 WeakPolarHBondContact O-CB 3.31Å; F320-H323 PolarHBondContact O-N 2.79Å; F320-R324 PolarHBondContact O-N 3.05Å |
| 321 | I | 89.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 179 | -69.3 | 163.3 | 0 | 0 | 0 | 111.1 | S317 H323 R324 R325 | S317-I321 WeakPolarHBondContact O-CB 3.26Å; S317-I321 WeakPolarHBondContact O-CD1 3.39Å; S317-I321 VanDerWaalsContact O-CG1 3.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.4Å; S317-I321 PolarHBondContact O-N 2.84Å; I321-H323 VanDerWaalsContact C-N 3.31Å; I321-H323 PolarHBondContact O-N 3.39Å; I321-R324 PolarHBondContact O-N 3.49Å; I321-R325 WeakPolarHBondContact O-CG 3.21Å; I321-R325 PolarHBondContact O-N 3.28Å |
| 322 | R | 88.6 | Confident | 81.7 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 173.7 | -178.4 | 170.6 | 63 | -166.4 | -3.9 | 111.6 | S318 H319 F320 A326 | S318-R322 WeakPolarHBondContact O-CB 3.47Å; S318-R322 PolarHBondContact O-N 3.16Å; H319-R322 PolarHBondContact CD2-NH2 3.03Å; H319-R322 PolarHBondContact NE2-NH2 3.47Å; H319-R322 PolarHBondContact O-N 3Å; F320-R322 PolarHBondContact O-N 2.87Å; R322-A326 PolarHBondContact O-N 3.18Å |
| 323 | H | 88.2 | Confident | 80.7 | Confident | 35 Ų | 35 | 96.1 Ų | 96.1 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 176.2 | 173 | 58.1 | 0 | 0 | 0 | 112.8 | C310 F314 H319 F320 I321 R325 A326 H327 | C310-H323 PolarHBondContact SG-NE2 3.25Å; F314-H323 HydrophobicContact CE1-CB 4.16Å; F314-H323 HydrophobicContact CE2-CB 4.11Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.23Å; F314-H323 AromaticContact CE2-CG 3.86Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.33Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.29Å; F314-H323 AromaticContact CZ-CG 3.42Å; F314-H323 VanDerWaalsContact CZ-CG 3.42Å; H319-H323 WeakPolarHBondContact O-CB 3.4Å; H319-H323 PolarHBondContact O-N 2.91Å; F320-H323 WeakPolarHBondContact O-CB 3.31Å; F320-H323 PolarHBondContact O-N 2.79Å; I321-H323 VanDerWaalsContact C-N 3.31Å; I321-H323 PolarHBondContact O-N 3.39Å; H323-R325 VanDerWaalsContact C-N 3.28Å; H323-R325 PolarHBondContact O-N 3.23Å; H323-A326 WeakPolarHBondContact O-CA 3.36Å; H323-A326 VanDerWaalsContact O-CB 3.28Å; H323-A326 WeakPolarHBondContact O-CB 3.43Å; H323-A326 PolarHBondContact O-N 2.91Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-CD2 3.9Å; H323-H327 AromaticContact CE1-NE2 3.14Å; H323-H327 PolarHBondContact CE1-NE2 3.03Å; H323-H327 AromaticContact NE2-CD2 3.79Å; H323-H327 AromaticContact NE2-NE2 2.7Å; H323-H327 PolarHBondContact NE2-NE2 3.17Å; H323-H327 PolarHBondContact O-N 2.97Å |
| 324 | R | 85.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 177.5 | -161.7 | -179 | 78.8 | -174.9 | 7.7 | 112.2 | F320 I321 A326 H327 M328 | F320-R324 PolarHBondContact O-N 3.05Å; I321-R324 PolarHBondContact O-N 3.49Å; R324-A326 PolarHBondContact O-N 2.86Å; R324-H327 PolarHBondContact O-N 3.28Å; R324-M328 PolarHBondContact O-N 2.77Å; R324-M328 VanDerWaalsContact O-N 3.15Å |
| 325 | R | 85.3 | Confident | 78.7 | Confident | 168 Ų | 168 | 94.4 Ų | 94.4 | 63% | 0.634 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.9 | -28.3 | 171.2 | -73.8 | 173.7 | 178.8 | -175.2 | -1 | 113.1 | I321 H323 R329 | I321-R325 WeakPolarHBondContact O-CG 3.21Å; I321-R325 PolarHBondContact O-N 3.28Å; H323-R325 VanDerWaalsContact C-N 3.28Å; H323-R325 PolarHBondContact O-N 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.42Å; R325-R329 PolarHBondContact O-N 3.36Å |
| 326 | A | 81.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 91.8 Ų | 91.8 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.3 | -34.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R322 H323 R324 R329 R330 | R322-A326 PolarHBondContact O-N 3.18Å; H323-A326 WeakPolarHBondContact O-CA 3.36Å; H323-A326 VanDerWaalsContact O-CB 3.28Å; H323-A326 WeakPolarHBondContact O-CB 3.43Å; H323-A326 PolarHBondContact O-N 2.91Å; R324-A326 PolarHBondContact O-N 2.86Å; A326-R329 PolarHBondContact O-N 3.41Å; A326-R330 WeakPolarHBondContact O-CB 3.45Å; A326-R330 WeakPolarHBondContact O-CG 3.41Å; A326-R330 PolarHBondContact O-N 3.42Å; A326-R330 VanDerWaalsContact O-N 3.11Å |
| 327 | H | 77.5 | Confident | 76.9 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 169.3 | -72.7 | -59.2 | 0 | 0 | 0 | 111.4 | C307 E309 C310 H323 R324 R329 R330 R331 | C307-H327 PolarHBondContact SG-NE2 3.3Å; E309-H327 IonicContact OE1-CD2 3.35Å; E309-H327 IonicContact OE1-CG 3.5Å; E309-H327 WeakPolarHBondContact OE2-CB 3.4Å; E309-H327 IonicContact OE2-CG 3.09Å; C310-H327 WeakPolarHBondContact CB-CE1 3.37Å; C310-H327 PolarHBondContact SG-CE1 3.44Å; C310-H327 PolarHBondContact SG-NE2 3.38Å; H323-H327 AromaticContact CD2-NE2 3.71Å; H323-H327 AromaticContact CE1-CD2 3.9Å; H323-H327 AromaticContact CE1-NE2 3.14Å; H323-H327 PolarHBondContact CE1-NE2 3.03Å; H323-H327 AromaticContact NE2-CD2 3.79Å; H323-H327 AromaticContact NE2-NE2 2.7Å; H323-H327 PolarHBondContact NE2-NE2 3.17Å; H323-H327 PolarHBondContact O-N 2.97Å; R324-H327 PolarHBondContact O-N 3.28Å; H327-R329 VanDerWaalsContact C-N 3.31Å; H327-R329 PolarHBondContact O-N 3.43Å; H327-R330 CarbonylContact O-C 3.24Å; H327-R330 PolarHBondContact O-N 3.44Å; H327-R331 WeakPolarHBondContact O-CG 3.46Å; H327-R331 PolarHBondContact O-N 2.95Å |
| 328 | M | 69.9 | Low | 76.4 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 176.5 | -69.4 | 169.5 | 163.5 | 0 | 0 | 112.7 | R324 R330 R331 | R324-M328 PolarHBondContact O-N 2.77Å; R324-M328 VanDerWaalsContact O-N 3.15Å; M328-R330 VanDerWaalsContact C-N 3.32Å; M328-R330 PolarHBondContact O-N 3.34Å; M328-R331 PolarHBondContact O-N 3.24Å |
| 329 | R | 61.8 | Low | 75.4 | Confident | 215 Ų | 215 | 92.5 Ų | 92.5 | 81% | 0.811 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -73.1 | -18 | 174.8 | -76.6 | -179.5 | 172.5 | -170.8 | -5.3 | 114.7 | R325 A326 H327 | R325-R329 WeakPolarHBondContact O-CG 3.42Å; R325-R329 PolarHBondContact O-N 3.36Å; A326-R329 PolarHBondContact O-N 3.41Å; H327-R329 VanDerWaalsContact C-N 3.31Å; H327-R329 PolarHBondContact O-N 3.43Å |
| 330 | R | 59.8 | Low | 74.6 | Confident | 205 Ų | 205 | 96.4 Ų | 96.4 | 77% | 0.774 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.9 | 175.5 | -75.6 | -179.7 | 164.3 | -158 | -7.9 | 113 | A326 H327 M328 | A326-R330 WeakPolarHBondContact O-CB 3.45Å; A326-R330 WeakPolarHBondContact O-CG 3.41Å; A326-R330 PolarHBondContact O-N 3.42Å; A326-R330 VanDerWaalsContact O-N 3.11Å; H327-R330 CarbonylContact O-C 3.24Å; H327-R330 PolarHBondContact O-N 3.44Å; M328-R330 VanDerWaalsContact C-N 3.32Å; M328-R330 PolarHBondContact O-N 3.34Å |
| 331 | R | 57.5 | Low | 73.7 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -120.7 | 9.5 | -177.5 | -81.4 | 178.5 | 150.5 | -171.5 | -17.2 | 113.7 | E309 H327 M328 | E309-R331 IonicContact OE2-CZ 3.71Å; E309-R331 IonicContact OE2-NE 3.92Å; E309-R331 IonicContact OE2-NH1 2.58Å; E309-R331 PolarHBondContact OE2-NH1 2.89Å; H327-R331 WeakPolarHBondContact O-CG 3.46Å; H327-R331 PolarHBondContact O-N 2.95Å; M328-R331 PolarHBondContact O-N 3.24Å |
| 332 | L | 62.8 | Low | 72.7 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 44% | 0.44 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.6 | 169.1 | -63.1 | 175.6 | 0 | 0 | 0 | 108.2 | F342 K343 | L332-F342 WeakPolarHBondContact CA-O 3.47Å; L332-K343 HydrophobicContact CD2-CG 3.87Å |
| 333 | Y | 65.4 | Low | 71.7 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 28% | 0.278 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.8 | 176.7 | -69 | -102.9 | 0 | 0 | 0 | 108.1 | D341 F342 L344 A350 | Y333-D341 CarbonylContact O-C 3.56Å; Y333-D341 WeakPolarHBondContact O-CA 3.4Å; Y333-F342 PolarHBondContact N-O 3.27Å; Y333-F342 VanDerWaalsContact O-CD1 3.24Å; Y333-F342 WeakPolarHBondContact O-CD1 3.3Å; Y333-F342 PolarHBondContact O-N 3.23Å; Y333-L344 HydrophobicContact CD1-CD1 4.39Å; Y333-L344 HydrophobicContact CD2-CD1 3.88Å; Y333-L344 HydrophobicContact CD2-CG 3.77Å; Y333-L344 HydrophobicContact CE1-CD1 3.95Å; Y333-L344 HydrophobicContact CE2-CB 4.34Å; Y333-L344 HydrophobicContact CE2-CD1 3.39Å; Y333-L344 HydrophobicContact CE2-CG 3.75Å; Y333-L344 HydrophobicContact CG-CD1 4.37Å; Y333-L344 HydrophobicContact CG-CG 4.31Å; Y333-L344 VanDerWaalsContact CZ-CD1 3.43Å; Y333-A350 HydrophobicContact CE1-CB 4.34Å |
| 334 | I | 65.4 | Low | 70.4 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.8 | 178.8 | -58.1 | 174.7 | 0 | 0 | 0 | 107.7 | A336 | I334-A336 PolarHBondContact O-N 3.06Å |
| 335 | C | 71.9 | Confident | 68.9 | Low | 1 Ų | 1 | 96.6 Ų | 96.6 | 1% | 0.007 | 48% | 0.481 | C | S | . | . | trans | -72.5 | 120.1 | 173.9 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | G337 C338 G339 R340 F342 E355 C357 | C335-G337 PolarHBondContact O-N 3Å; C335-G337 PolarHBondContact SG-N 3.47Å; C335-C338 PolarHBondContact O-N 3.1Å; C335-C338 PolarHBondContact SG-N 3.05Å; C335-C338 PolarHBondContact SG-SG 3.33Å; C335-G339 VanDerWaalsContact O-CA 3.32Å; C335-G339 WeakPolarHBondContact O-CA 3.21Å; C335-G339 PolarHBondContact O-N 3.46Å; C335-R340 PolarHBondContact N-O 3.43Å; C335-F342 HydrophobicContact CB-CD1 4.05Å; C335-F342 HydrophobicContact CB-CE1 4.05Å; C335-E355 CarbonylContact C-O 3.3Å; C335-C357 HydrophobicContact CB-CB 4.04Å; C335-C357 PolarHBondContact SG-N 3.15Å; C335-C357 VanDerWaalsContact SG-SG 3.62Å | ||
| 336 | A | 69.9 | Low | 67.2 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I334 E355 | I334-A336 PolarHBondContact O-N 3.06Å; A336-E355 HydrophobicContact CB-CB 4.02Å; A336-E355 WeakPolarHBondContact CB-O 3.4Å; A336-E355 PolarHBondContact N-O 3.49Å |
| 337 | G | 70.3 | Confident | 65.9 | Low | 47 Ų | 47 | 96 Ų | 96 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C335 | C335-G337 PolarHBondContact O-N 3Å; C335-G337 PolarHBondContact SG-N 3.47Å |
| 338 | C | 80.2 | Confident | 64.8 | Low | 50 Ų | 50 | 95.4 Ų | 95.4 | 34% | 0.338 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | 1.7 | -174.5 | 73.7 | 0 | 0 | 0 | 0 | 116 | C335 R340 | C335-C338 PolarHBondContact O-N 3.1Å; C335-C338 PolarHBondContact SG-N 3.05Å; C335-C338 PolarHBondContact SG-SG 3.33Å; C338-R340 PolarHBondContact O-N 3.27Å; C338-R340 VanDerWaalsContact O-N 3.07Å |
| 339 | G | 70.6 | Confident | 64 | Low | 59 Ų | 59 | 94 Ų | 94 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | trans | 70 | -3.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C335 | C335-G339 VanDerWaalsContact O-CA 3.32Å; C335-G339 WeakPolarHBondContact O-CA 3.21Å; C335-G339 PolarHBondContact O-N 3.46Å | ||
| 340 | R | 73.8 | Confident | 63.6 | Low | 161 Ų | 161 | 87.3 Ų | 87.3 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | trans | -79.2 | 152.2 | -178 | -62.2 | 179.7 | -178.7 | 170.6 | 0 | 112.2 | C335 C338 E359 | C335-R340 PolarHBondContact N-O 3.43Å; C338-R340 PolarHBondContact O-N 3.27Å; C338-R340 VanDerWaalsContact O-N 3.07Å; R340-E359 IonicContact NH1-OE2 2.9Å | ||
| 341 | D | 71.6 | Confident | 63.2 | Low | 111 Ų | 111 | 82.1 Ų | 82.1 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.9 | 171.2 | 68.3 | -61.1 | 0 | 0 | 0 | 111.8 | Y333 | Y333-D341 CarbonylContact O-C 3.56Å; Y333-D341 WeakPolarHBondContact O-CA 3.4Å |
| 342 | F | 69.8 | Low | 62.9 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 12% | 0.118 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 164.3 | 176.6 | 76.2 | -76.6 | 0 | 0 | 0 | 111.9 | L332 Y333 C335 L344 C357 | L332-F342 WeakPolarHBondContact CA-O 3.47Å; Y333-F342 PolarHBondContact N-O 3.27Å; Y333-F342 VanDerWaalsContact O-CD1 3.24Å; Y333-F342 WeakPolarHBondContact O-CD1 3.3Å; Y333-F342 PolarHBondContact O-N 3.23Å; C335-F342 HydrophobicContact CB-CD1 4.05Å; C335-F342 HydrophobicContact CB-CE1 4.05Å; F342-L344 HydrophobicContact CE2-CD2 4.26Å; F342-C357 HydrophobicContact CB-CB 3.97Å; F342-C357 HydrophobicContact CD1-CB 3.81Å; F342-C357 HydrophobicContact CD2-CB 3.95Å; F342-C357 HydrophobicContact CE1-CB 4.22Å; F342-C357 HydrophobicContact CE2-CB 4.33Å; F342-C357 HydrophobicContact CG-CB 3.66Å; F342-C357 HydrophobicContact CZ-CB 4.46Å |
| 343 | K | 67.4 | Low | 62.6 | Low | 165 Ų | 165 | 77.9 Ų | 77.9 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.9 | -179.3 | -63.5 | 163.3 | -168.8 | 151.8 | 0 | 109 | L332 | L332-K343 HydrophobicContact CD2-CG 3.87Å |
| 344 | L | 59.8 | Low | 62.3 | Low | 37 Ų | 37 | 78.3 Ų | 78.3 | 19% | 0.194 | 51% | 0.507 | C | S | . | . | trans | -66.1 | 145.5 | 167.4 | -75.1 | 177.7 | 0 | 0 | 0 | 111.2 | Y333 F342 A348 A353 | Y333-L344 HydrophobicContact CD1-CD1 4.39Å; Y333-L344 HydrophobicContact CD2-CD1 3.88Å; Y333-L344 HydrophobicContact CD2-CG 3.77Å; Y333-L344 HydrophobicContact CE1-CD1 3.95Å; Y333-L344 HydrophobicContact CE2-CB 4.34Å; Y333-L344 HydrophobicContact CE2-CD1 3.39Å; Y333-L344 HydrophobicContact CE2-CG 3.75Å; Y333-L344 HydrophobicContact CG-CD1 4.37Å; Y333-L344 HydrophobicContact CG-CG 4.31Å; Y333-L344 VanDerWaalsContact CZ-CD1 3.43Å; F342-L344 HydrophobicContact CE2-CD2 4.26Å; L344-A348 HydrophobicContact CB-CB 4.2Å; L344-A348 HydrophobicContact CD1-CB 4.27Å; L344-A348 HydrophobicContact CD2-CB 4.31Å; L344-A353 HydrophobicContact CD1-CB 3.73Å; L344-A353 HydrophobicContact CD2-CB 3.88Å; L344-A353 HydrophobicContact CG-CB 4.39Å | ||
| 345 | P | 55 | Low | 62.1 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | trans | -64.4 | 153.7 | 173.7 | 27.8 | -34.5 | 0 | 0 | 0 | 111.6 | G347 A348 | P345-G347 PolarHBondContact O-N 2.85Å; P345-A348 HydrophobicContact CG-CB 4.23Å; P345-A348 PolarHBondContact O-N 3.09Å | ||
| 346 | P | 49.7 | Very low | 61.8 | Low | 125 Ų | 125 | 85.6 Ų | 85.6 | 81% | 0.812 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 104.1 | -177.9 | 28 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 347 | G | 54.3 | Low | 61.8 | Low | 75 Ų | 75 | 82.3 Ų | 82.3 | 77% | 0.773 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.1 | -29.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P345 | P345-G347 PolarHBondContact O-N 2.85Š|
| 348 | A | 54 | Low | 61.7 | Low | 37 Ų | 37 | 84.6 Ų | 84.6 | 31% | 0.306 | 51% | 0.511 | S | S | . | . | trans | -67.2 | 139.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L344 P345 | L344-A348 HydrophobicContact CB-CB 4.2Å; L344-A348 HydrophobicContact CD1-CB 4.27Å; L344-A348 HydrophobicContact CD2-CB 4.31Å; P345-A348 HydrophobicContact CG-CB 4.23Å; P345-A348 PolarHBondContact O-N 3.09Å | ||
| 349 | T | 54 | Low | 61 | Low | 75 Ų | 75 | 88.7 Ų | 88.7 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | trans | -99.1 | 166 | 173.1 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | A351 T352 A353 | T349-A351 PolarHBondContact O-N 3.4Å; T349-A351 VanDerWaalsContact O-N 3.15Å; T349-A351 PolarHBondContact OG1-N 2.75Å; T349-T352 PolarHBondContact N-OG1 3.43Å; T349-T352 CarbonylContact O-C 3.55Å; T349-T352 PolarHBondContact O-N 2.78Å; T349-T352 PolarHBondContact O-OG1 2.85Å; T349-T352 PolarHBondContact OG1-N 3.37Å; T349-T352 PolarHBondContact OG1-OG1 2.85Å; T349-A353 PolarHBondContact O-N 2.95Å | ||
| 350 | A | 52.7 | Low | 60.9 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y333 | Y333-A350 HydrophobicContact CE1-CB 4.34Š|
| 351 | A | 51.2 | Low | 60.5 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 80% | 0.802 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T349 | T349-A351 PolarHBondContact O-N 3.4Å; T349-A351 VanDerWaalsContact O-N 3.15Å; T349-A351 PolarHBondContact OG1-N 2.75Å |
| 352 | T | 51.5 | Low | 59.9 | Low | 96 Ų | 96 | 82.4 Ų | 82.4 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -122.1 | 29.5 | 176.8 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | T349 | T349-T352 PolarHBondContact N-OG1 3.43Å; T349-T352 CarbonylContact O-C 3.55Å; T349-T352 PolarHBondContact O-N 2.78Å; T349-T352 PolarHBondContact O-OG1 2.85Å; T349-T352 PolarHBondContact OG1-N 3.37Å; T349-T352 PolarHBondContact OG1-OG1 2.85Å |
| 353 | A | 55.7 | Low | 59.1 | Low | 29 Ų | 29 | 88.5 Ų | 88.5 | 24% | 0.24 | 55% | 0.55 | C | S | . | . | trans | -104.5 | 113 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108 | L344 T349 | L344-A353 HydrophobicContact CD1-CB 3.73Å; L344-A353 HydrophobicContact CD2-CB 3.88Å; L344-A353 HydrophobicContact CG-CB 4.39Å; T349-A353 PolarHBondContact O-N 2.95Å | ||
| 354 | T | 59.2 | Low | 58.6 | Low | 80 Ų | 80 | 84.7 Ų | 84.7 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | trans | -66.5 | 144.2 | 167.4 | 35.4 | 0 | 0 | 0 | 0 | 109.6 | R356 E361 | T354-R356 PolarHBondContact O-N 3.39Å; T354-R356 VanDerWaalsContact O-N 3.12Å; T354-E361 WeakPolarHBondContact CB-OE1 3.47Å; T354-E361 VanDerWaalsContact CG2-OE1 3.32Å; T354-E361 WeakPolarHBondContact CG2-OE1 3.17Å; T354-E361 PolarHBondContact OG1-OE1 3.29Å | ||
| 355 | E | 61.9 | Low | 58.6 | Low | 156 Ų | 156 | 87.2 Ų | 87.2 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -74.1 | 0.8 | -175.9 | -59.7 | -164.9 | 132.5 | 0 | 0 | 113.3 | C335 A336 | C335-E355 CarbonylContact C-O 3.3Å; A336-E355 HydrophobicContact CB-CB 4.02Å; A336-E355 WeakPolarHBondContact CB-O 3.4Å; A336-E355 PolarHBondContact N-O 3.49Å |
| 356 | R | 65.5 | Low | 58.8 | Low | 133 Ų | 133 | 87.1 Ų | 87.1 | 50% | 0.502 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -111.1 | 145 | 176.5 | -65.5 | -172.1 | 178.4 | -161.2 | 1.2 | 110.1 | T354 C360 E361 | T354-R356 PolarHBondContact O-N 3.39Å; T354-R356 VanDerWaalsContact O-N 3.12Å; R356-C360 HydrophobicContact CB-CB 4.16Å; R356-C360 VanDerWaalsContact CD-O 3.29Å; R356-C360 WeakPolarHBondContact CD-O 3.49Å; R356-C360 PolarHBondContact NH1-O 2.95Å; R356-E361 HydrophobicContact CB-CG 3.76Å |
| 357 | C | 69.9 | Low | 59.3 | Low | 6 Ų | 6 | 84.9 Ų | 84.9 | 4% | 0.041 | 54% | 0.544 | C | S | . | . | trans | -74.1 | 159.3 | 168.6 | 62 | 0 | 0 | 0 | 0 | 110.1 | C335 F342 E359 C360 E361 | C335-C357 HydrophobicContact CB-CB 4.04Å; C335-C357 PolarHBondContact SG-N 3.15Å; C335-C357 VanDerWaalsContact SG-SG 3.62Å; F342-C357 HydrophobicContact CB-CB 3.97Å; F342-C357 HydrophobicContact CD1-CB 3.81Å; F342-C357 HydrophobicContact CD2-CB 3.95Å; F342-C357 HydrophobicContact CE1-CB 4.22Å; F342-C357 HydrophobicContact CE2-CB 4.33Å; F342-C357 HydrophobicContact CG-CB 3.66Å; F342-C357 HydrophobicContact CZ-CB 4.46Å; C357-E359 PolarHBondContact O-N 3.21Å; C357-C360 CarbonylContact O-C 3.5Å; C357-C360 WeakPolarHBondContact O-CA 3.42Å; C357-C360 PolarHBondContact O-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; C357-E361 PolarHBondContact O-N 2.92Å | ||
| 358 | P | 67.4 | Low | 59.6 | Low | 96 Ų | 96 | 85.5 Ų | 85.5 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -56.6 | -28.9 | -177.4 | -28.8 | 36.5 | 0 | 0 | 0 | 114.8 | C360 E361 G362 | P358-C360 PolarHBondContact O-N 3.26Å; P358-E361 PolarHBondContact O-N 3.42Å; P358-G362 PolarHBondContact O-N 3.45Å |
| 359 | E | 66.9 | Low | 60 | Low | 135 Ų | 135 | 88.7 Ų | 88.7 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -64.2 | -27.5 | 173.4 | -60.8 | 177.7 | 168.8 | 0 | 0 | 112.8 | R340 C357 S363 | R340-E359 IonicContact NH1-OE2 2.9Å; C357-E359 PolarHBondContact O-N 3.21Å; E359-S363 PolarHBondContact O-OG 3.41Å |
| 360 | C | 67.5 | Low | 60.4 | Low | 27 Ų | 27 | 89.7 Ų | 89.7 | 18% | 0.182 | 55% | 0.551 | C | S | . | * | G | 310 helix | trans | -104.3 | 4.2 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | R356 C357 P358 | R356-C360 HydrophobicContact CB-CB 4.16Å; R356-C360 VanDerWaalsContact CD-O 3.29Å; R356-C360 WeakPolarHBondContact CD-O 3.49Å; R356-C360 PolarHBondContact NH1-O 2.95Å; C357-C360 CarbonylContact O-C 3.5Å; C357-C360 WeakPolarHBondContact O-CA 3.42Å; C357-C360 PolarHBondContact O-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; P358-C360 PolarHBondContact O-N 3.26Å |
| 361 | E | 64.8 | Low | 61 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -18.3 | 170.1 | -65.8 | -171.2 | 126.1 | 0 | 0 | 112.3 | T354 R356 C357 P358 | T354-E361 WeakPolarHBondContact CB-OE1 3.47Å; T354-E361 VanDerWaalsContact CG2-OE1 3.32Å; T354-E361 WeakPolarHBondContact CG2-OE1 3.17Å; T354-E361 PolarHBondContact OG1-OE1 3.29Å; R356-E361 HydrophobicContact CB-CG 3.76Å; C357-E361 PolarHBondContact O-N 2.92Å; P358-E361 PolarHBondContact O-N 3.42Å |
| 362 | G | 60.3 | Low | 61.8 | Low | 69 Ų | 69 | 90.4 Ų | 90.4 | 71% | 0.711 | 53% | 0.525 | S | S | * | . | trans | -107.1 | 33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | P358 | P358-G362 PolarHBondContact O-N 3.45Š| ||
| 363 | S | 51.5 | Low | 62.8 | Low | 154 Ų | 154 | 89.9 Ų | 89.9 | 100% | 1.077 | 52% | 0.519 | S | S | * | . | trans | -143.6 | 0 | 179.1 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | E359 | E359-S363 PolarHBondContact O-OG 3.41Š|
Retrieved 363 of 363 residues in 220.4 ms
(Link to these results)