| 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 | N | 38.1 | Very low | 31.4 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 100% | 1.102 | 83% | 0.829 | S | S | * | * | 0 | 77.7 | 0 | -64.4 | -0.1 | 0 | 0 | 0 | 106.6 | |||||
| 2 | V | 32.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | 66.6 | 93 | 103 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 3 | S | 31 | Very low | 31.7 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | 72.8 | 135.4 | 63.5 | 75.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 4 | D | 31.6 | Very low | 31.6 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 93.3 | 110.8 | 162.1 | -50.8 | -25.3 | 0 | 0 | 0 | 117.4 | ||||
| 5 | E | 34.2 | Very low | 31.5 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | 69.5 | 115 | 77 | -102.7 | -169.7 | -179 | 0 | 0 | 114.1 | |||||
| 6 | A | 30.1 | Very low | 31.3 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | 165.1 | 120.6 | 125.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 7 | V | 31 | Very low | 31.1 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -15.8 | 138.9 | 146.8 | -179.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 8 | S | 29.9 | Very low | 31 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | -167 | 119.6 | 129.8 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 9 | E | 30 | Very low | 30.7 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -53.4 | 139.5 | 155.4 | -70.1 | 167.6 | 132.7 | 0 | 0 | 110.1 | ||||
| 10 | E | 28.8 | Very low | 30.7 | Very low | 201 Ų | 201 | 148 Ų | 148 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -153.6 | 132.1 | 143.1 | -121.1 | 174.1 | -166.1 | 0 | 0 | 110.9 | ||||
| 11 | S | 28.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -115.4 | 127.1 | -168.4 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 12 | K | 31.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 65% | 0.648 | 80% | 0.804 | S | S | * | * | trans | 63.8 | 159.3 | 159.1 | -105.4 | -173.9 | -178.5 | -178.7 | 0 | 117.4 | E14 | K12-E14 HydrophobicContact CD-CB 4.31Å; K12-E14 HydrophobicContact CD-CG 4.31Å; K12-E14 VanDerWaalsContact CE-OE1 3.3Å; K12-E14 WeakPolarHBondContact CE-OE1 3.48Å; K12-E14 WeakPolarHBondContact CE-OE2 3.29Å; K12-E14 IonicContact NZ-OE1 2.74Å; K12-E14 PolarHBondContact NZ-OE1 3.16Å; K12-E14 IonicContact NZ-OE2 2.61Å; K12-E14 PolarHBondContact NZ-OE2 3.13Å | ||
| 13 | P | 34.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -130.4 | 143.7 | 43.4 | 36.4 | -17.1 | 0 | 0 | 0 | 114.3 | ||||
| 14 | E | 30.5 | Very low | 29.6 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 66% | 0.659 | 81% | 0.81 | S | S | * | * | 35.5 | 92.9 | 84.5 | -95.2 | 176 | -166.3 | 0 | 0 | 114.5 | K12 E16 | K12-E14 HydrophobicContact CD-CB 4.31Å; K12-E14 HydrophobicContact CD-CG 4.31Å; K12-E14 VanDerWaalsContact CE-OE1 3.3Å; K12-E14 WeakPolarHBondContact CE-OE1 3.48Å; K12-E14 WeakPolarHBondContact CE-OE2 3.29Å; K12-E14 IonicContact NZ-OE1 2.74Å; K12-E14 PolarHBondContact NZ-OE1 3.16Å; K12-E14 IonicContact NZ-OE2 2.61Å; K12-E14 PolarHBondContact NZ-OE2 3.13Å; E14-E16 PolarHBondContact O-N 2.68Å | |||
| 15 | E | 30.2 | Very low | 29.4 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -67.4 | 112.7 | 167.6 | -85.3 | -176.8 | 146.3 | 0 | 0 | 110.3 | F17 | E15-F17 PolarHBondContact O-N 3.45Š| ||
| 16 | E | 28 | Very low | 29 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -64.9 | 116.2 | 161.9 | -72.3 | 179.3 | 148.7 | 0 | 0 | 110.1 | E14 K18 | E14-E16 PolarHBondContact O-N 2.68Å; E16-K18 PolarHBondContact O-N 3.28Å; E16-K18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | F | 27.8 | Very low | 28.8 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 102.4 | 157 | -105.8 | -93.3 | 0 | 0 | 0 | 108.4 | E15 A19 | E15-F17 PolarHBondContact O-N 3.45Å; F17-A19 PolarHBondContact O-N 2.79Å | ||
| 18 | K | 29.1 | Very low | 28.6 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | -71 | 116.3 | 169.6 | -79 | -177.4 | 176.4 | 176.5 | 0 | 109.9 | E16 | E16-K18 PolarHBondContact O-N 3.28Å; E16-K18 VanDerWaalsContact O-N 3.17Å | ||
| 19 | A | 26.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 153 Ų | 153 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 127.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | F17 | F17-A19 PolarHBondContact O-N 2.79Š| ||
| 20 | S | 30.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -101.6 | 105.3 | 164.7 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | D | 26.5 | Very low | 28.3 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 121.1 | 156.5 | -84.1 | -39 | 0 | 0 | 0 | 108.6 | ||||
| 22 | E | 28.5 | Very low | 28.2 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -126.7 | 117.1 | 150.8 | -111.8 | -174 | 175.2 | 0 | 0 | 107.9 | ||||
| 23 | A | 26.5 | Very low | 27.9 | Very low | 87 Ų | 87 | 151.1 Ų | 151.1 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -112.8 | 148.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 24 | V | 26.2 | Very low | 27.4 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | 91.8 | 107 | 153.4 | -163.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 25 | S | 27.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 156 Ų | 156 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | -168.8 | 133.1 | 98.3 | 33 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 26 | E | 25.7 | Very low | 26.9 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -64 | 140.6 | 170 | -65.7 | 168.5 | 127 | 0 | 0 | 111.3 | ||||
| 27 | E | 26.1 | Very low | 26.9 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -149.4 | 145.8 | 139.1 | -114.4 | -178.3 | -169.3 | 0 | 0 | 109.7 | ||||
| 28 | S | 26.4 | Very low | 26.8 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -116.3 | 135.8 | -146.1 | 42.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 29 | K | 25.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | 62.1 | 164.3 | 151 | -95.9 | -156.2 | 165.5 | -161.7 | 0 | 119.3 | E31 | K29-E31 WeakPolarHBondContact CE-OE2 3.36Å; K29-E31 IonicContact NZ-OE2 3.64Å; K29-E31 PolarHBondContact NZ-OE2 3.35Å | ||
| 30 | P | 31.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | cis | -129.9 | 165.7 | 6.3 | 31.3 | -9.6 | 0 | 0 | 0 | 117.7 | ||||
| 31 | E | 26.2 | Very low | 26.5 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -58.3 | 138.3 | 161.9 | -60.8 | 150.5 | 147.1 | 0 | 0 | 111.7 | K29 | K29-E31 WeakPolarHBondContact CE-OE2 3.36Å; K29-E31 IonicContact NZ-OE2 3.64Å; K29-E31 PolarHBondContact NZ-OE2 3.35Å | ||
| 32 | E | 26.4 | Very low | 26.4 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -112.7 | 108.9 | 160.4 | -103.6 | -173.5 | 171.3 | 0 | 0 | 109.9 | ||||
| 33 | E | 24.8 | Very low | 26.4 | Very low | 156 Ų | 156 | 146 Ų | 146 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | trans | -63.1 | 134.2 | 159.2 | -66.7 | -179.8 | 151.3 | 0 | 0 | 109.4 | ||||
| 34 | F | 25.3 | Very low | 26.4 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -115.8 | 109.7 | 156.8 | -109.2 | -90.2 | 0 | 0 | 0 | 110.4 | ||||
| 35 | K | 25.9 | Very low | 26.5 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 74% | 0.735 | 82% | 0.815 | S | S | * | * | trans | -77.7 | 148.8 | 172.6 | -77.8 | 178.1 | 178.9 | 168.6 | 0 | 111 | ||||
| 36 | A | 24.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -54.7 | 148.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 37 | S | 28.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 116.2 | 154 | 54.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | D | 24.8 | Very low | 26.8 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -62.4 | 132.6 | 161.4 | -82.4 | -46.7 | 0 | 0 | 0 | 110.2 | ||||
| 39 | E | 26.9 | Very low | 26.9 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -154.3 | 118.7 | 144.7 | -118.9 | 178.3 | -172.4 | 0 | 0 | 109.6 | ||||
| 40 | A | 25.6 | Very low | 27 | Very low | 97 Ų | 97 | 154.3 Ų | 154.3 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -94.2 | 132.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 41 | V | 26.5 | Very low | 26.8 | Very low | 138 Ų | 138 | 158.2 Ų | 158.2 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -152.3 | 113.9 | 152.6 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | S | 26.3 | Very low | 27 | Very low | 99 Ų | 99 | 159.6 Ų | 159.6 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | 32.7 | 122.3 | 148.8 | 68.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 43 | E | 27.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | 20.6 | 117.6 | 129.4 | -70.4 | -179 | 148.2 | 0 | 0 | 119.7 | |||||
| 44 | E | 26.2 | Very low | 27.8 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -143.7 | 130.1 | 130.1 | -105.9 | -176.5 | -177.3 | 0 | 0 | 110 | ||||
| 45 | S | 27.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -104.8 | 133.1 | -168.3 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | K | 27.9 | Very low | 28.7 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 148.4 | 157.6 | 141.5 | -91.8 | -179.7 | 173.8 | 179.9 | 0 | 113.1 | ||||
| 47 | P | 30.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -123.6 | 165.7 | -41.7 | 34.1 | -17.3 | 0 | 0 | 0 | 112.1 | E49 | P47-E49 PolarHBondContact O-N 3.44Š| ||
| 48 | E | 29.1 | Very low | 29.6 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -56.7 | 123.1 | 172.7 | -64.1 | 166.7 | 159.8 | 0 | 0 | 111.6 | E50 | E48-E50 PolarHBondContact O-N 3.4Š| ||
| 49 | E | 27.6 | Very low | 30.3 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -80.9 | 104.9 | 158.3 | -90.6 | -174.4 | 157.3 | 0 | 0 | 107.8 | P47 F51 | P47-E49 PolarHBondContact O-N 3.44Å; E49-F51 PolarHBondContact O-N 2.94Å | ||
| 50 | E | 28 | Very low | 30.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -54 | 102.2 | 161.6 | -78.4 | -179.6 | 154.8 | 0 | 0 | 108.9 | E48 K52 | E48-E50 PolarHBondContact O-N 3.4Å; E50-K52 PolarHBondContact O-N 3.43Å | ||
| 51 | F | 27.4 | Very low | 31.4 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -67 | 90.9 | 159.1 | -118.9 | -94.5 | 0 | 0 | 0 | 107 | E49 A53 | E49-F51 PolarHBondContact O-N 2.94Å; F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.17Å | ||
| 52 | K | 28.9 | Very low | 32 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -62.5 | 96.4 | 164.4 | -83 | -176.7 | 175.5 | 179 | 0 | 107.7 | E50 S54 | E50-K52 PolarHBondContact O-N 3.43Å; K52-S54 PolarHBondContact O-N 2.81Å | ||
| 53 | A | 33.9 | Very low | 32.6 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 57% | 0.57 | 69% | 0.692 | S | S | * | * | trans | -51.7 | 123.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107 | F51 D55 V58 | F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.17Å; A53-D55 PolarHBondContact O-N 3.15Å; A53-V58 HydrophobicContact CB-CG2 4.38Å | ||
| 54 | S | 34.2 | Very low | 33.5 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 52% | 0.517 | 68% | 0.676 | S | S | . | * | trans | -60.1 | 130.6 | 172.9 | 39.9 | 0 | 0 | 0 | 0 | 108.6 | K52 E56 A57 | K52-S54 PolarHBondContact O-N 2.81Å; S54-E56 PolarHBondContact O-N 3.19Å; S54-A57 PolarHBondContact O-N 3.06Å | ||
| 55 | D | 34.1 | Very low | 34.4 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 80% | 0.802 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -52.4 | -18.4 | 176.9 | -81.8 | -39.4 | 0 | 0 | 0 | 113.1 | A53 S59 | A53-D55 PolarHBondContact O-N 3.15Å; D55-S59 WeakPolarHBondContact O-CB 3.28Å; D55-S59 PolarHBondContact O-N 3.29Å; D55-S59 PolarHBondContact O-OG 3.27Å |
| 56 | E | 36.3 | Very low | 35.3 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.3 | -39.8 | 175.3 | -78.2 | 178.7 | 155.8 | 0 | 0 | 113.6 | S54 S59 E60 | S54-E56 PolarHBondContact O-N 3.19Å; E56-S59 WeakPolarHBondContact CA-OG 3.21Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 2.93Å; E56-E60 PolarHBondContact O-N 2.95Å; E56-E60 VanDerWaalsContact O-N 3.08Å |
| 57 | A | 36.7 | Very low | 37 | Very low | 48 Ų | 48 | 121.2 Ų | 121.2 | 40% | 0.397 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72 | -38.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 S59 E60 E61 | S54-A57 PolarHBondContact O-N 3.06Å; A57-S59 VanDerWaalsContact C-N 3.25Å; A57-S59 PolarHBondContact O-N 3.34Å; A57-E60 PolarHBondContact O-N 3.24Å; A57-E61 PolarHBondContact O-N 3.35Å |
| 58 | V | 34.8 | Very low | 39.1 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.5 | -26.8 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | A53 S62 | A53-V58 HydrophobicContact CB-CG2 4.38Å; V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 PolarHBondContact O-OG 3.03Å |
| 59 | S | 40.1 | Very low | 42 | Very low | 46 Ų | 46 | 116.1 Ų | 116.1 | 32% | 0.322 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80.5 | -21.3 | 177 | 81 | 0 | 0 | 0 | 0 | 114.7 | D55 E56 A57 S62 K63 | D55-S59 WeakPolarHBondContact O-CB 3.28Å; D55-S59 PolarHBondContact O-N 3.29Å; D55-S59 PolarHBondContact O-OG 3.27Å; E56-S59 WeakPolarHBondContact CA-OG 3.21Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 2.93Å; A57-S59 VanDerWaalsContact C-N 3.25Å; A57-S59 PolarHBondContact O-N 3.34Å; S59-S62 WeakPolarHBondContact CA-OG 3.38Å; S59-S62 PolarHBondContact O-OG 3.47Å; S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.34Å |
| 60 | E | 35.8 | Very low | 45.2 | Very low | 129 Ų | 129 | 108.1 Ų | 108.1 | 60% | 0.603 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -84.3 | -43.2 | 175.7 | -84.4 | 179.8 | 155.6 | 0 | 0 | 111.6 | E56 A57 S62 K63 I64 | E56-E60 PolarHBondContact O-N 2.95Å; E56-E60 VanDerWaalsContact O-N 3.08Å; A57-E60 PolarHBondContact O-N 3.24Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 3.34Å; E60-K63 PolarHBondContact O-N 3.11Å; E60-K63 VanDerWaalsContact O-N 3.17Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.26Å; E60-I64 PolarHBondContact O-N 3.1Å |
| 61 | E | 39.5 | Very low | 48.4 | Very low | 138 Ų | 138 | 101.2 Ų | 101.2 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 172.9 | -74.3 | 178.2 | 165.4 | 0 | 0 | 111.7 | A57 K63 I64 E65 | A57-E61 PolarHBondContact O-N 3.35Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 3.34Å; E61-I64 PolarHBondContact O-N 3.45Å; E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.11Å; E61-E65 VanDerWaalsContact O-N 3.13Å |
| 62 | S | 40.3 | Very low | 51.5 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -16.7 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | V58 S59 E60 | V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 PolarHBondContact O-OG 3.03Å; S59-S62 WeakPolarHBondContact CA-OG 3.38Å; S59-S62 PolarHBondContact O-OG 3.47Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 3.34Å |
| 63 | K | 37.1 | Very low | 54.6 | Low | 144 Ų | 144 | 94.1 Ų | 94.1 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -83.8 | -38.3 | 171.5 | -93.5 | 176.4 | 177.1 | 172.2 | 0 | 112.3 | S59 E60 E61 E65 A66 | S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.34Å; E60-K63 PolarHBondContact O-N 3.11Å; E60-K63 VanDerWaalsContact O-N 3.17Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 3.34Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-A66 PolarHBondContact O-N 3.45Å |
| 64 | I | 46.6 | Very low | 57.5 | Low | 106 Ų | 106 | 90.9 Ų | 90.9 | 54% | 0.544 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 177.4 | -64.9 | 164.8 | 0 | 0 | 0 | 110.2 | E60 E61 A66 E67 | E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.26Å; E60-I64 PolarHBondContact O-N 3.1Å; E61-I64 PolarHBondContact O-N 3.45Å; I64-A66 PolarHBondContact O-N 3.12Å; I64-E67 PolarHBondContact O-N 3.34Å |
| 65 | E | 46.3 | Very low | 60.4 | Low | 111 Ų | 111 | 87.9 Ų | 87.9 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.3 | 173.3 | -76.5 | -178.6 | 162.7 | 0 | 0 | 114.3 | E61 K63 | E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.11Å; E61-E65 VanDerWaalsContact O-N 3.13Å; K63-E65 VanDerWaalsContact C-N 3.33Å |
| 66 | A | 46 | Very low | 63.3 | Low | 66 Ų | 66 | 84.3 Ų | 84.3 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -14.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | K63 I64 | K63-A66 PolarHBondContact O-N 3.45Å; I64-A66 PolarHBondContact O-N 3.12Å |
| 67 | E | 63.4 | Low | 66.1 | Low | 138 Ų | 138 | 77.8 Ų | 77.8 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -25.9 | -173.7 | -80.8 | -172.2 | 155.3 | 0 | 0 | 113.9 | I64 | I64-E67 PolarHBondContact O-N 3.34Š|
| 68 | F | 75.4 | Confident | 68.9 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | trans | -126.3 | 79.2 | -174 | -57.6 | -73 | 0 | 0 | 0 | 112.2 | I243 Q245 | F68-I243 HydrophobicContact CB-CB 4.49Å; F68-I243 HydrophobicContact CB-CG2 3.73Å; F68-Q245 HydrophobicContact CD1-CG 3.88Å | ||
| 69 | Q | 89.8 | Confident | 71.7 | Confident | 135 Ų | 135 | 76.4 Ų | 76.4 | 63% | 0.631 | 40% | 0.403 | S | S | * | . | trans | -107.8 | 147.8 | 170.6 | -65.7 | -177.1 | 4.8 | 0 | 0 | 110.9 | ||||
| 70 | A | 94.3 | Very high | 74.3 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | trans | -66.1 | 140.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V75 R207 V233 I235 | A70-V75 HydrophobicContact CB-CG2 4.04Å; A70-R207 WeakPolarHBondContact CB-O 3.44Å; A70-V233 CarbonylContact C-O 3.58Å; A70-V233 WeakPolarHBondContact CA-O 3.09Å; A70-I235 HydrophobicContact CB-CG2 4.29Å | ||
| 71 | S | 95.3 | Very high | 77.2 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | trans | -60.3 | 147.8 | 172.9 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | E73 A74 V75 V233 | S71-E73 PolarHBondContact O-N 3.27Å; S71-A74 WeakPolarHBondContact O-CB 3.26Å; S71-A74 PolarHBondContact O-N 3.13Å; S71-A74 WeakPolarHBondContact OG-CB 3.32Å; S71-A74 PolarHBondContact OG-N 2.99Å; S71-A74 VanDerWaalsContact OG-N 3.17Å; S71-V75 PolarHBondContact O-N 3.41Å; S71-V75 VanDerWaalsContact O-N 3.08Å; S71-V233 PolarHBondContact N-O 2.9Å; S71-V233 PolarHBondContact OG-N 3.09Å; S71-V233 PolarHBondContact OG-O 2.86Å; S71-V233 VanDerWaalsContact OG-O 3.09Å | ||
| 72 | D | 93.5 | Very high | 79.7 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.3 | -33.4 | 175.6 | -79.2 | -35.6 | 0 | 0 | 0 | 111.5 | V75 S76 R207 | D72-V75 PolarHBondContact O-N 3.39Å; D72-S76 WeakPolarHBondContact O-CB 3.19Å; D72-S76 PolarHBondContact O-N 3.49Å; D72-R207 IonicContact OD1-NH1 3.49Å |
| 73 | E | 93.9 | Very high | 82 | Confident | 112 Ų | 112 | 70.3 Ų | 70.3 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 172.5 | -66.8 | 80.2 | -177.5 | 0 | 0 | 111.3 | S71 V75 S76 F77 M232 | S71-E73 PolarHBondContact O-N 3.27Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.3Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-F77 PolarHBondContact O-N 2.85Å; E73-M232 HydrophobicContact CB-CE 3.85Å; E73-M232 HydrophobicContact CB-CG 3.79Å; E73-M232 VanDerWaalsContact O-CE 3.25Å; E73-M232 WeakPolarHBondContact O-CE 3.46Å |
| 74 | A | 95 | Very high | 84.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S71 F77 L78 M232 V233 F234 | S71-A74 WeakPolarHBondContact O-CB 3.26Å; S71-A74 PolarHBondContact O-N 3.13Å; S71-A74 WeakPolarHBondContact OG-CB 3.32Å; S71-A74 PolarHBondContact OG-N 2.99Å; S71-A74 VanDerWaalsContact OG-N 3.17Å; A74-F77 WeakPolarHBondContact O-CB 3.41Å; A74-F77 PolarHBondContact O-N 3.26Å; A74-L78 PolarHBondContact O-N 3.27Å; A74-M232 HydrophobicContact CB-CB 4.21Å; A74-M232 HydrophobicContact CB-CG 4.38Å; A74-V233 VanDerWaalsContact CB-O 3.24Å; A74-V233 WeakPolarHBondContact CB-O 3.46Å; A74-F234 HydrophobicContact CB-CD1 3.72Å; A74-F234 HydrophobicContact CB-CD2 4.14Å; A74-F234 HydrophobicContact CB-CE1 3.58Å; A74-F234 HydrophobicContact CB-CE2 4.01Å; A74-F234 HydrophobicContact CB-CG 3.99Å; A74-F234 HydrophobicContact CB-CZ 3.73Å |
| 75 | V | 94.9 | Very high | 86.6 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | A70 S71 D72 E73 F77 L78 T79 R207 | A70-V75 HydrophobicContact CB-CG2 4.04Å; S71-V75 PolarHBondContact O-N 3.41Å; S71-V75 VanDerWaalsContact O-N 3.08Å; D72-V75 PolarHBondContact O-N 3.39Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.3Å; V75-F77 VanDerWaalsContact C-N 3.25Å; V75-F77 PolarHBondContact O-N 3.01Å; V75-L78 PolarHBondContact O-N 2.63Å; V75-T79 PolarHBondContact O-N 3.43Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 3.43Å; V75-R207 HydrophobicContact CG1-CG 4.26Å; V75-R207 VanDerWaalsContact CG1-NH2 3.34Å; V75-R207 HydrophobicContact CG2-CG 4.04Å |
| 76 | S | 94.4 | Very high | 88.7 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -33.7 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | D72 E73 T79 S80 | D72-S76 WeakPolarHBondContact O-CB 3.19Å; D72-S76 PolarHBondContact O-N 3.49Å; E73-S76 PolarHBondContact O-N 3.2Å; S76-T79 PolarHBondContact O-OG1 3.45Å; S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å; S76-S80 PolarHBondContact O-N 2.83Å; S76-S80 VanDerWaalsContact O-N 3.1Å; S76-S80 PolarHBondContact O-OG 3.24Å |
| 77 | F | 95.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 173.7 | -175.6 | -83.9 | 0 | 0 | 0 | 111.6 | E73 A74 V75 T79 S80 L218 M222 R225 P229 M232 | E73-F77 PolarHBondContact O-N 2.85Å; A74-F77 WeakPolarHBondContact O-CB 3.41Å; A74-F77 PolarHBondContact O-N 3.26Å; V75-F77 VanDerWaalsContact C-N 3.25Å; V75-F77 PolarHBondContact O-N 3.01Å; F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.28Å; F77-S80 WeakPolarHBondContact O-CB 3.5Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.11Å; F77-S80 PolarHBondContact O-OG 3.34Å; F77-L218 HydrophobicContact CD1-CD1 3.84Å; F77-L218 HydrophobicContact CE1-CD1 3.47Å; F77-L218 VanDerWaalsContact CE1-CD1 3.47Å; F77-L218 HydrophobicContact CZ-CD1 4.49Å; F77-M222 HydrophobicContact CE1-CE 4.47Å; F77-M222 HydrophobicContact CE1-CG 4.43Å; F77-M222 HydrophobicContact CE2-CG 4.49Å; F77-M222 HydrophobicContact CZ-CG 3.85Å; F77-R225 VanDerWaalsContact CE2-NH1 3.28Å; F77-P229 HydrophobicContact CD2-CG 3.53Å; F77-P229 HydrophobicContact CE2-CG 3.66Å; F77-M232 HydrophobicContact CB-CE 3.68Å; F77-M232 HydrophobicContact CB-SD 3.68Å; F77-M232 HydrophobicContact CD2-CE 4.08Å; F77-M232 HydrophobicContact CD2-SD 4.21Å; F77-M232 HydrophobicContact CG-CE 4.27Å; F77-M232 HydrophobicContact CG-SD 4.09Å |
| 78 | L | 95.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | -179.7 | -67.4 | 175.6 | 0 | 0 | 0 | 111.9 | A74 V75 S80 I81 L150 L218 F234 | A74-L78 PolarHBondContact O-N 3.27Å; V75-L78 PolarHBondContact O-N 2.63Å; L78-S80 PolarHBondContact O-N 2.96Å; L78-I81 HydrophobicContact CD2-CD1 4.47Å; L78-I81 VanDerWaalsContact O-CD1 3.31Å; L78-I81 WeakPolarHBondContact O-CD1 3.42Å; L78-I81 VanDerWaalsContact O-CG1 3.26Å; L78-I81 WeakPolarHBondContact O-CG1 3.43Å; L78-I81 PolarHBondContact O-N 3.05Å; L78-L150 HydrophobicContact CD2-CB 4.31Å; L78-L150 HydrophobicContact CD2-CD1 4.39Å; L78-L218 HydrophobicContact CD2-CD1 4.04Å; L78-F234 HydrophobicContact CD1-CD1 4.33Å; L78-F234 HydrophobicContact CD1-CE1 4.09Å; L78-F234 HydrophobicContact CD2-CE1 4.11Å; L78-F234 HydrophobicContact CG-CE1 3.95Å |
| 79 | T | 94.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77.7 | -7.2 | 178 | 61.3 | 0 | 0 | 0 | 0 | 114 | V75 S76 F77 | V75-T79 PolarHBondContact O-N 3.43Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 3.43Å; S76-T79 PolarHBondContact O-OG1 3.45Å; F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.28Å |
| 80 | S | 94.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.1 | 175.9 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | S76 F77 L78 E82 R225 | S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å; S76-S80 PolarHBondContact O-N 2.83Å; S76-S80 VanDerWaalsContact O-N 3.1Å; S76-S80 PolarHBondContact O-OG 3.24Å; F77-S80 WeakPolarHBondContact O-CB 3.5Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.11Å; F77-S80 PolarHBondContact O-OG 3.34Å; L78-S80 PolarHBondContact O-N 2.96Å; S80-E82 PolarHBondContact O-N 3.21Å; S80-R225 PolarHBondContact O-NH2 2.86Å; S80-R225 PolarHBondContact OG-NH1 2.76Å |
| 81 | I | 94.9 | Very high | 92 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | trans | -72.2 | 116.5 | -176.1 | -63.4 | 169 | 0 | 0 | 0 | 108.6 | L78 L86 L150 L221 | L78-I81 HydrophobicContact CD2-CD1 4.47Å; L78-I81 VanDerWaalsContact O-CD1 3.31Å; L78-I81 WeakPolarHBondContact O-CD1 3.42Å; L78-I81 VanDerWaalsContact O-CG1 3.26Å; L78-I81 WeakPolarHBondContact O-CG1 3.43Å; L78-I81 PolarHBondContact O-N 3.05Å; I81-L86 HydrophobicContact CG2-CB 4.43Å; I81-L150 HydrophobicContact CD1-CD1 3.99Å; I81-L150 HydrophobicContact CD1-CG 3.76Å; I81-L221 HydrophobicContact CD1-CD1 3.57Å; I81-L221 HydrophobicContact CG1-CD1 3.98Å; I81-L221 HydrophobicContact CG2-CD1 4.02Å; I81-L221 HydrophobicContact CG2-CD2 4.36Å | ||
| 82 | E | 92.1 | Very high | 91.6 | Very high | 109 Ų | 109 | 59.6 Ų | 59.6 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | trans | -80.4 | 144.6 | 179.3 | -62.9 | -65.4 | 157.2 | 0 | 0 | 110.5 | S80 E84 E85 L86 | S80-E82 PolarHBondContact O-N 3.21Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.16Å; E82-E85 HydrophobicContact CB-CG 4.22Å; E82-E85 PolarHBondContact N-OE2 2.94Å; E82-E85 VanDerWaalsContact N-OE2 3.13Å; E82-E85 WeakPolarHBondContact O-CB 3.25Å; E82-E85 PolarHBondContact O-N 3.35Å; E82-L86 PolarHBondContact O-N 2.87Å; E82-L86 VanDerWaalsContact O-N 3.11Å | ||
| 83 | P | 89.5 | Confident | 91.4 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.8 | -36.3 | 177.7 | -27.7 | 35.7 | 0 | 0 | 0 | 113.9 | E85 L86 Q87 | P83-E85 VanDerWaalsContact C-N 3.3Å; P83-E85 PolarHBondContact O-N 2.87Å; P83-L86 PolarHBondContact O-N 2.9Å; P83-Q87 PolarHBondContact O-N 3.31Å |
| 84 | E | 89.8 | Confident | 91.3 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -28.1 | 177.5 | -63.6 | 77.5 | -170.2 | 0 | 0 | 112.9 | E82 K88 | E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.16Å; E84-K88 WeakPolarHBondContact O-CG 3.2Å |
| 85 | E | 90.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.8 | -44 | 173.1 | -66 | -180 | 111.5 | 0 | 0 | 110.4 | E82 P83 Q87 K88 C89 L221 R225 | E82-E85 HydrophobicContact CB-CG 4.22Å; E82-E85 PolarHBondContact N-OE2 2.94Å; E82-E85 VanDerWaalsContact N-OE2 3.13Å; E82-E85 WeakPolarHBondContact O-CB 3.25Å; E82-E85 PolarHBondContact O-N 3.35Å; P83-E85 VanDerWaalsContact C-N 3.3Å; P83-E85 PolarHBondContact O-N 2.87Å; E85-Q87 PolarHBondContact O-N 3.3Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.02Å; E85-C89 PolarHBondContact O-N 3.22Å; E85-L221 HydrophobicContact CB-CD2 3.99Å; E85-R225 VanDerWaalsContact OE1-CG 3.29Å; E85-R225 WeakPolarHBondContact OE1-CG 3.01Å; E85-R225 IonicContact OE1-CZ 3.85Å; E85-R225 IonicContact OE1-NE 3.65Å; E85-R225 PolarHBondContact OE1-NE 3.25Å; E85-R225 IonicContact OE1-NH2 2.7Å; E85-R225 IonicContact OE2-CZ 2.73Å; E85-R225 IonicContact OE2-NE 2.9Å; E85-R225 PolarHBondContact OE2-NE 3.29Å; E85-R225 IonicContact OE2-NH2 3.27Å; E85-R225 PolarHBondContact OE2-NH2 3.42Å |
| 86 | L | 89.6 | Confident | 91.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 176.2 | -169.6 | 63.5 | 0 | 0 | 0 | 111.8 | I81 E82 P83 K88 C89 F114 V123 A148 L150 | I81-L86 HydrophobicContact CG2-CB 4.43Å; E82-L86 PolarHBondContact O-N 2.87Å; E82-L86 VanDerWaalsContact O-N 3.11Å; P83-L86 PolarHBondContact O-N 2.9Å; L86-K88 VanDerWaalsContact C-N 3.28Å; L86-K88 PolarHBondContact O-N 2.91Å; L86-C89 CarbonylContact O-C 3.57Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 VanDerWaalsContact O-CB 3.31Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 2.88Å; L86-F114 HydrophobicContact CD2-CE1 4.08Å; L86-F114 HydrophobicContact CG-CE1 4.11Å; L86-F114 HydrophobicContact CG-CZ 4.44Å; L86-V123 HydrophobicContact CD1-CG1 4.19Å; L86-V123 HydrophobicContact CD2-CG1 3.99Å; L86-V123 HydrophobicContact CG-CG1 4.09Å; L86-A148 HydrophobicContact CD2-CB 4.11Å; L86-L150 HydrophobicContact CD1-CD2 4.41Å |
| 87 | Q | 89.3 | Confident | 91 | Very high | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.1 | -34.5 | 173.3 | -172.9 | 176.8 | 5.7 | 0 | 0 | 112.9 | P83 E85 C89 V90 F114 | P83-Q87 PolarHBondContact O-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.3Å; Q87-C89 PolarHBondContact O-N 3.41Å; Q87-V90 PolarHBondContact O-N 3.4Å; Q87-F114 HydrophobicContact CB-CE2 4.37Å; Q87-F114 HydrophobicContact CB-CZ 4.29Å; Q87-F114 HydrophobicContact CG-CE2 4.3Å |
| 88 | K | 88.4 | Confident | 90.8 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 59% | 0.591 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.5 | -15.8 | 174 | -64 | 170.3 | -171.8 | 170.7 | 0 | 112.5 | E84 E85 L86 V90 L224 | E84-K88 WeakPolarHBondContact O-CG 3.2Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.02Å; L86-K88 VanDerWaalsContact C-N 3.28Å; L86-K88 PolarHBondContact O-N 2.91Å; K88-V90 VanDerWaalsContact C-N 3.34Å; K88-L224 HydrophobicContact CB-CD1 3.96Å |
| 89 | C | 87.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 7.7 | 174.1 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | E85 L86 Q87 F91 V112 L217 L221 | E85-C89 PolarHBondContact O-N 3.22Å; L86-C89 CarbonylContact O-C 3.57Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 VanDerWaalsContact O-CB 3.31Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 2.88Å; Q87-C89 PolarHBondContact O-N 3.41Å; C89-F91 WeakPolarHBondContact O-CD1 3.44Å; C89-F91 WeakPolarHBondContact O-CE1 3.48Å; C89-V112 WeakPolarHBondContact O-CB 3.44Å; C89-V112 WeakPolarHBondContact O-CG1 3.25Å; C89-L217 HydrophobicContact CB-CD2 3.88Å; C89-L221 VanDerWaalsContact SG-CD2 3.52Å |
| 90 | V | 88.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -85.1 | 110 | 163.5 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | Q87 K88 V112 F114 | Q87-V90 PolarHBondContact O-N 3.4Å; K88-V90 VanDerWaalsContact C-N 3.34Å; V90-V112 WeakPolarHBondContact CA-O 3.44Å; V90-V112 WeakPolarHBondContact CG1-O 3.41Å; V90-F114 HydrophobicContact CG2-CD2 3.57Å; V90-F114 HydrophobicContact CG2-CE1 4.44Å; V90-F114 HydrophobicContact CG2-CE2 3.38Å; V90-F114 HydrophobicContact CG2-CG 4.2Å; V90-F114 HydrophobicContact CG2-CZ 3.86Å | ||
| 91 | F | 84.8 | Confident | 89.6 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 170.3 | -175.5 | 63.7 | -87.8 | 0 | 0 | 0 | 111.4 | C89 E93 V110 S111 V112 L217 R220 | C89-F91 WeakPolarHBondContact O-CD1 3.44Å; C89-F91 WeakPolarHBondContact O-CE1 3.48Å; F91-E93 HydrophobicContact CD2-CB 4.44Å; F91-E93 HydrophobicContact CD2-CG 4.11Å; F91-E93 HydrophobicContact CE2-CG 4.04Å; F91-V110 HydrophobicContact CE2-CB 4.04Å; F91-V110 HydrophobicContact CE2-CG1 3.8Å; F91-V110 HydrophobicContact CZ-CG1 3.91Å; F91-S111 CarbonylContact O-C 3.55Å; F91-S111 VanDerWaalsContact O-CA 3.31Å; F91-S111 WeakPolarHBondContact O-CA 3.41Å; F91-V112 HydrophobicContact CD1-CB 4.32Å; F91-V112 HydrophobicContact CD1-CG2 4.22Å; F91-V112 HydrophobicContact CE1-CB 4.04Å; F91-V112 HydrophobicContact CE1-CG2 3.49Å; F91-V112 VanDerWaalsContact CE1-CG2 3.49Å; F91-V112 HydrophobicContact CE2-CG2 4.35Å; F91-V112 HydrophobicContact CZ-CB 4.48Å; F91-V112 HydrophobicContact CZ-CG2 3.57Å; F91-V112 PolarHBondContact N-O 2.77Å; F91-V112 PolarHBondContact O-N 3.43Å; F91-L217 HydrophobicContact CE1-CD2 4.17Å; F91-R220 VanDerWaalsContact CD1-CZ 3.45Å; F91-R220 VanDerWaalsContact CD2-NH1 3.29Å |
| 92 | S | 88.2 | Confident | 89 | Confident | 71 Ų | 71 | 60 Ų | 60 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.1 | 163.4 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | V110 | S92-V110 WeakPolarHBondContact CA-O 3.49Å |
| 93 | E | 89.6 | Confident | 88.7 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.8 | 179.3 | 72.3 | -172.7 | -175.2 | 0 | 0 | 111.7 | F91 L95 S109 V110 R220 Y291 L292 | F91-E93 HydrophobicContact CD2-CB 4.44Å; F91-E93 HydrophobicContact CD2-CG 4.11Å; F91-E93 HydrophobicContact CE2-CG 4.04Å; E93-L95 HydrophobicContact CG-CD1 4.15Å; E93-S109 CarbonylContact O-C 3.56Å; E93-S109 VanDerWaalsContact O-CA 3.3Å; E93-S109 WeakPolarHBondContact O-CA 3.11Å; E93-V110 HydrophobicContact CG-CB 4.43Å; E93-V110 PolarHBondContact N-O 3.37Å; E93-V110 PolarHBondContact O-N 3.31Å; E93-R220 IonicContact OE1-NH2 3.64Å; E93-R220 PolarHBondContact OE1-NH2 2.86Å; E93-R220 IonicContact OE2-CZ 2.68Å; E93-R220 IonicContact OE2-NH1 3.58Å; E93-R220 IonicContact OE2-NH2 3.45Å; E93-R220 PolarHBondContact OE2-NH2 2.81Å; E93-Y291 HydrophobicContact CB-CD1 3.84Å; E93-Y291 HydrophobicContact CB-CE1 4.07Å; E93-Y291 WeakPolarHBondContact OE2-CA 3.48Å; E93-Y291 VanDerWaalsContact OE2-CD1 3.32Å; E93-Y291 WeakPolarHBondContact OE2-CD1 3.03Å; E93-L292 WeakPolarHBondContact OE1-CB 3.36Å; E93-L292 PolarHBondContact OE2-N 2.88Å |
| 94 | T | 90.8 | Very high | 88.7 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | E107 F108 | T94-E107 HydrophobicContact CG2-CG 3.26Å; T94-E107 WeakPolarHBondContact CG2-OE1 3.18Å; T94-F108 CarbonylContact C-O 3.52Å; T94-F108 WeakPolarHBondContact CA-O 3.48Å |
| 95 | L | 92.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.5 | 176.4 | -74.5 | 75.7 | 0 | 0 | 0 | 108.7 | E93 F108 L292 M304 F306 | E93-L95 HydrophobicContact CG-CD1 4.15Å; L95-F108 HydrophobicContact CB-CB 4.5Å; L95-F108 HydrophobicContact CB-CD1 4.36Å; L95-F108 HydrophobicContact CD1-CD1 4.39Å; L95-F108 PolarHBondContact N-O 2.88Å; L95-F108 PolarHBondContact O-N 2.88Å; L95-L292 HydrophobicContact CD1-CB 4.29Å; L95-L292 HydrophobicContact CD1-CD2 4.3Å; L95-L292 HydrophobicContact CD2-CB 4.45Å; L95-L292 HydrophobicContact CD2-CD2 3.89Å; L95-L292 HydrophobicContact CD2-CG 3.94Å; L95-M304 HydrophobicContact CB-CB 4.31Å; L95-M304 HydrophobicContact CD2-CB 4.18Å; L95-F306 HydrophobicContact CG-CB 4.38Å |
| 96 | M | 92.3 | Very high | 88.9 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 23% | 0.232 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.7 | 173.1 | -58.4 | -52.6 | -65.3 | 0 | 0 | 109.8 | M98 I104 G106 M304 K305 I307 | M96-M98 HydrophobicContact CB-CG 4.46Å; M96-I104 HydrophobicContact CE-CD1 4.33Å; M96-I104 HydrophobicContact CE-CG2 3.31Å; M96-G106 WeakPolarHBondContact CE-O 3.2Å; M96-M304 CarbonylContact O-C 3.55Å; M96-M304 WeakPolarHBondContact O-CA 3.39Å; M96-K305 PolarHBondContact N-O 2.87Å; M96-K305 PolarHBondContact O-N 3.43Å; M96-I307 HydrophobicContact CB-CD1 3.59Å; M96-I307 HydrophobicContact CB-CG1 4Å; M96-I307 HydrophobicContact CG-CB 4.15Å; M96-I307 HydrophobicContact CG-CD1 3.72Å; M96-I307 HydrophobicContact CG-CG1 3.98Å |
| 97 | V | 92.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118.4 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | L105 G106 F108 V302 M304 | V97-L105 HydrophobicContact CG1-CB 4.24Å; V97-L105 PolarHBondContact O-N 3.22Å; V97-G106 PolarHBondContact N-O 3.13Å; V97-G106 PolarHBondContact O-N 2.87Å; V97-F108 HydrophobicContact CG2-CB 4.21Å; V97-V302 HydrophobicContact CB-CG1 4.49Å; V97-V302 HydrophobicContact CG1-CG1 3.14Å; V97-M304 HydrophobicContact CG2-CG 4.13Å |
| 98 | M | 90.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 14% | 0.138 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.2 | -176.1 | -61.1 | -164.3 | -55.3 | 0 | 0 | 112.8 | M96 G103 V302 T303 K305 I307 | M96-M98 HydrophobicContact CB-CG 4.46Å; M98-G103 CarbonylContact C-O 3.53Å; M98-G103 WeakPolarHBondContact CA-O 3.36Å; M98-V302 CarbonylContact O-C 3.57Å; M98-V302 WeakPolarHBondContact O-CA 3.39Å; M98-T303 PolarHBondContact N-O 3.24Å; M98-T303 PolarHBondContact O-N 3.15Å; M98-K305 HydrophobicContact CE-CB 3.91Å; M98-K305 HydrophobicContact CE-CD 3.51Å; M98-K305 HydrophobicContact CE-CG 3.75Å; M98-I307 HydrophobicContact CG-CD1 4.15Å; M98-I307 HydrophobicContact SD-CD1 3.48Å; M98-I307 WeakPolarHBondContact SD-CD1 3.38Å; M98-I307 HydrophobicContact SD-CG1 4.32Å |
| 99 | S | 90.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 166.7 | 167.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | S101 G102 G103 | S99-S101 PolarHBondContact O-N 2.76Å; S99-S101 PolarHBondContact OG-N 2.75Å; S99-S101 PolarHBondContact OG-OG 3.25Å; S99-G102 PolarHBondContact O-N 2.92Å; S99-G102 PolarHBondContact OG-N 3.38Å; S99-G103 PolarHBondContact N-O 3.45Å; S99-G103 PolarHBondContact OG-N 3.4Å; S99-G103 PolarHBondContact OG-O 2.97Å |
| 100 | E | 85.5 | Confident | 90 | Very high | 151 Ų | 151 | 44.3 Ų | 44.3 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.1 | 170.9 | -57.4 | -163.4 | 148 | 0 | 0 | 113.2 | G102 P301 | E100-G102 PolarHBondContact O-N 3.12Å; E100-P301 HydrophobicContact CG-CB 4.1Å; E100-P301 WeakPolarHBondContact CG-O 3.5Å; E100-P301 PolarHBondContact N-O 2.65Å |
| 101 | S | 84.3 | Confident | 90.3 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 80% | 0.797 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.9 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | S99 | S99-S101 PolarHBondContact O-N 2.76Å; S99-S101 PolarHBondContact OG-N 2.75Å; S99-S101 PolarHBondContact OG-OG 3.25Å |
| 102 | G | 82.2 | Confident | 90.7 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 82.5 | 9.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S99 E100 | S99-G102 PolarHBondContact O-N 2.92Å; S99-G102 PolarHBondContact OG-N 3.38Å; E100-G102 PolarHBondContact O-N 3.12Å |
| 103 | G | 85.7 | Confident | 91 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | trans | -73 | 141.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M98 S99 | M98-G103 CarbonylContact C-O 3.53Å; M98-G103 WeakPolarHBondContact CA-O 3.36Å; S99-G103 PolarHBondContact N-O 3.45Å; S99-G103 PolarHBondContact OG-N 3.4Å; S99-G103 PolarHBondContact OG-O 2.97Å | ||
| 104 | I | 89.8 | Confident | 91.1 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.8 | 174.6 | -64.8 | 170.3 | 0 | 0 | 0 | 108.4 | M96 | M96-I104 HydrophobicContact CE-CD1 4.33Å; M96-I104 HydrophobicContact CE-CG2 3.31Å |
| 105 | L | 92.1 | Very high | 91.3 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -21.1 | -179.6 | -58.5 | -178.6 | 0 | 0 | 0 | 112.6 | V97 G131 A132 I133 V302 | V97-L105 HydrophobicContact CG1-CB 4.24Å; V97-L105 PolarHBondContact O-N 3.22Å; L105-G131 CarbonylContact O-C 3.56Å; L105-G131 WeakPolarHBondContact O-CA 2.99Å; L105-A132 PolarHBondContact O-N 3.38Å; L105-I133 HydrophobicContact CD1-CG1 4.42Å; L105-V302 HydrophobicContact CD1-CG2 3.85Å |
| 106 | G | 91.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -159.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M96 V97 H130 | M96-G106 WeakPolarHBondContact CE-O 3.2Å; V97-G106 PolarHBondContact N-O 3.13Å; V97-G106 PolarHBondContact O-N 2.87Å; G106-H130 CarbonylContact C-O 3.52Å; G106-H130 WeakPolarHBondContact CA-O 3.43Å |
| 107 | E | 93.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.7 | -174.4 | -172.4 | -176.5 | 109 | 0 | 0 | 111.2 | T94 S129 H130 | T94-E107 HydrophobicContact CG2-CG 3.26Å; T94-E107 WeakPolarHBondContact CG2-OE1 3.18Å; E107-S129 CarbonylContact O-C 3.54Å; E107-S129 WeakPolarHBondContact O-CA 3.31Å; E107-H130 PolarHBondContact N-O 3.18Å; E107-H130 PolarHBondContact O-N 2.86Å |
| 108 | F | 95 | Very high | 90.3 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.8 | 169 | 173.6 | -106.1 | 0 | 0 | 0 | 108.9 | T94 L95 V97 V110 R128 M216 L292 M304 | T94-F108 CarbonylContact C-O 3.52Å; T94-F108 WeakPolarHBondContact CA-O 3.48Å; L95-F108 HydrophobicContact CB-CB 4.5Å; L95-F108 HydrophobicContact CB-CD1 4.36Å; L95-F108 HydrophobicContact CD1-CD1 4.39Å; L95-F108 PolarHBondContact N-O 2.88Å; L95-F108 PolarHBondContact O-N 2.88Å; V97-F108 HydrophobicContact CG2-CB 4.21Å; F108-V110 HydrophobicContact CD1-CG2 4.34Å; F108-V110 HydrophobicContact CE1-CG2 3.37Å; F108-V110 HydrophobicContact CE2-CG2 3.99Å; F108-V110 HydrophobicContact CZ-CG2 3.17Å; F108-R128 CarbonylContact C-O 3.41Å; F108-R128 VanDerWaalsContact CA-O 3.29Å; F108-R128 WeakPolarHBondContact CA-O 3.31Å; F108-M216 HydrophobicContact CZ-SD 4.27Å; F108-L292 HydrophobicContact CE1-CD2 3.91Å; F108-M304 HydrophobicContact CB-CB 4.49Å; F108-M304 HydrophobicContact CB-CE 4.33Å; F108-M304 HydrophobicContact CB-CG 3.94Å; F108-M304 HydrophobicContact CB-SD 3.94Å; F108-M304 HydrophobicContact CD1-SD 4.02Å; F108-M304 HydrophobicContact CD2-CE 4.11Å; F108-M304 HydrophobicContact CD2-SD 3.97Å; F108-M304 HydrophobicContact CE2-SD 4.48Å; F108-M304 HydrophobicContact CG-CE 4.28Å; F108-M304 HydrophobicContact CG-CG 4.31Å; F108-M304 HydrophobicContact CG-SD 3.7Å |
| 109 | S | 94.1 | Very high | 89.8 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147 | 178 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | E93 A127 R128 | E93-S109 CarbonylContact O-C 3.56Å; E93-S109 VanDerWaalsContact O-CA 3.3Å; E93-S109 WeakPolarHBondContact O-CA 3.11Å; S109-A127 CarbonylContact O-C 3.52Å; S109-A127 VanDerWaalsContact O-CA 3.27Å; S109-A127 WeakPolarHBondContact O-CA 3.21Å; S109-R128 PolarHBondContact N-O 3.46Å; S109-R128 PolarHBondContact O-N 3.09Å |
| 110 | V | 95.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.4 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | F91 S92 E93 F108 L125 H126 A127 M216 | F91-V110 HydrophobicContact CE2-CB 4.04Å; F91-V110 HydrophobicContact CE2-CG1 3.8Å; F91-V110 HydrophobicContact CZ-CG1 3.91Å; S92-V110 WeakPolarHBondContact CA-O 3.49Å; E93-V110 HydrophobicContact CG-CB 4.43Å; E93-V110 PolarHBondContact N-O 3.37Å; E93-V110 PolarHBondContact O-N 3.31Å; F108-V110 HydrophobicContact CD1-CG2 4.34Å; F108-V110 HydrophobicContact CE1-CG2 3.37Å; F108-V110 HydrophobicContact CE2-CG2 3.99Å; F108-V110 HydrophobicContact CZ-CG2 3.17Å; V110-L125 HydrophobicContact CG1-CD1 4.15Å; V110-L125 HydrophobicContact CG1-CG 4.23Å; V110-H126 CarbonylContact C-O 3.59Å; V110-H126 WeakPolarHBondContact CA-O 3.32Å; V110-A127 HydrophobicContact CG1-CB 4.35Å; V110-A127 HydrophobicContact CG2-CB 3.9Å; V110-M216 HydrophobicContact CG2-SD 4.16Å |
| 111 | S | 94.7 | Very high | 89.8 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | F91 L125 H126 | F91-S111 CarbonylContact O-C 3.55Å; F91-S111 VanDerWaalsContact O-CA 3.31Å; F91-S111 WeakPolarHBondContact O-CA 3.41Å; S111-L125 CarbonylContact O-C 3.59Å; S111-L125 WeakPolarHBondContact O-CA 3.44Å; S111-H126 PolarHBondContact N-O 3.08Å; S111-H126 PolarHBondContact O-N 3.02Å; S111-H126 PolarHBondContact OG-O 3.25Å |
| 112 | V | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129.2 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | C89 V90 F91 V123 I124 L125 L217 | C89-V112 WeakPolarHBondContact O-CB 3.44Å; C89-V112 WeakPolarHBondContact O-CG1 3.25Å; V90-V112 WeakPolarHBondContact CA-O 3.44Å; V90-V112 WeakPolarHBondContact CG1-O 3.41Å; F91-V112 HydrophobicContact CD1-CB 4.32Å; F91-V112 HydrophobicContact CD1-CG2 4.22Å; F91-V112 HydrophobicContact CE1-CB 4.04Å; F91-V112 HydrophobicContact CE1-CG2 3.49Å; F91-V112 VanDerWaalsContact CE1-CG2 3.49Å; F91-V112 HydrophobicContact CE2-CG2 4.35Å; F91-V112 HydrophobicContact CZ-CB 4.48Å; F91-V112 HydrophobicContact CZ-CG2 3.57Å; F91-V112 PolarHBondContact N-O 2.77Å; F91-V112 PolarHBondContact O-N 3.43Å; V112-V123 HydrophobicContact CG1-CB 4.27Å; V112-I124 VanDerWaalsContact CA-O 3.27Å; V112-I124 WeakPolarHBondContact CA-O 3.44Å; V112-L125 HydrophobicContact CG2-CB 4.15Å; V112-L125 HydrophobicContact CG2-CD1 3.84Å; V112-L125 HydrophobicContact CG2-CG 4.02Å; V112-L217 HydrophobicContact CG1-CD1 4.4Å; V112-L217 HydrophobicContact CG1-CD2 4.13Å; V112-L217 HydrophobicContact CG2-CD2 3.79Å |
| 113 | E | 94.6 | Very high | 91 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.4 | -179.8 | -57.8 | -169.6 | 166.9 | 0 | 0 | 111 | V123 I124 | E113-V123 CarbonylContact O-C 3.6Å; E113-V123 WeakPolarHBondContact O-CA 3.4Å; E113-I124 HydrophobicContact CB-CG2 4.05Å; E113-I124 PolarHBondContact N-O 3.38Å; E113-I124 PolarHBondContact O-N 2.85Å |
| 114 | F | 92.4 | Very high | 91.5 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.3 | 167.9 | -71.7 | -61.7 | 0 | 0 | 0 | 110.1 | L86 Q87 V90 V123 | L86-F114 HydrophobicContact CD2-CE1 4.08Å; L86-F114 HydrophobicContact CG-CE1 4.11Å; L86-F114 HydrophobicContact CG-CZ 4.44Å; Q87-F114 HydrophobicContact CB-CE2 4.37Å; Q87-F114 HydrophobicContact CB-CZ 4.29Å; Q87-F114 HydrophobicContact CG-CE2 4.3Å; V90-F114 HydrophobicContact CG2-CD2 3.57Å; V90-F114 HydrophobicContact CG2-CE1 4.44Å; V90-F114 HydrophobicContact CG2-CE2 3.38Å; V90-F114 HydrophobicContact CG2-CG 4.2Å; V90-F114 HydrophobicContact CG2-CZ 3.86Å; F114-V123 HydrophobicContact CD1-CG1 3.55Å; F114-V123 HydrophobicContact CE1-CG1 3.63Å |
| 115 | T | 93.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -170.1 | 178.3 | -165.4 | 0 | 0 | 0 | 0 | 110.8 | C122 I124 Y145 | T115-C122 VanDerWaalsContact CG2-SG 3.57Å; T115-C122 PolarHBondContact N-O 3.01Å; T115-C122 PolarHBondContact O-N 3.25Å; T115-I124 HydrophobicContact CG2-CB 3.74Å; T115-I124 HydrophobicContact CG2-CG2 3.77Å; T115-Y145 HydrophobicContact CG2-CD1 4.07Å; T115-Y145 HydrophobicContact CG2-CE1 4.11Å |
| 116 | H | 88.7 | Confident | 92.1 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142.8 | 170.8 | -58.6 | 73.1 | 0 | 0 | 0 | 109.6 | E120 | H116-E120 CarbonylContact C-O 3.55Å; H116-E120 WeakPolarHBondContact CA-O 3.46Å |
| 117 | R | 85.8 | Confident | 92.4 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.6 | 169.6 | -166.7 | 74.8 | -179.9 | -166.8 | 8 | 107.9 | L119 E120 C122 Y145 L153 E154 | R117-L119 PolarHBondContact O-N 2.96Å; R117-L119 VanDerWaalsContact O-N 3.09Å; R117-E120 PolarHBondContact N-O 3.17Å; R117-E120 WeakPolarHBondContact O-CB 3.32Å; R117-E120 PolarHBondContact O-N 2.84Å; R117-C122 PolarHBondContact N-SG 3.09Å; R117-Y145 HydrophobicContact CB-CD1 4.16Å; R117-Y145 HydrophobicContact CG-CD1 4.32Å; R117-Y145 HydrophobicContact CG-CG 4.44Å; R117-Y145 PolarHBondContact NH1-OH 2.93Å; R117-L153 HydrophobicContact CB-CD1 4.2Å; R117-E154 IonicContact CZ-OE1 3.07Å; R117-E154 IonicContact CZ-OE2 2.76Å; R117-E154 IonicContact NE-OE2 2.76Å; R117-E154 PolarHBondContact NE-OE2 2.99Å; R117-E154 VanDerWaalsContact NE-OE2 3.07Å; R117-E154 IonicContact NH1-OE1 3.99Å; R117-E154 IonicContact NH2-OE1 2.65Å; R117-E154 PolarHBondContact NH2-OE1 3.19Å; R117-E154 IonicContact NH2-OE2 3.86Å; R117-E154 PolarHBondContact NH2-OE2 2.83Å |
| 118 | A | 82 | Confident | 92.5 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 77% | 0.769 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 35.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E120 | A118-E120 PolarHBondContact O-N 2.81Š|
| 119 | L | 81.9 | Confident | 92.5 | Very high | 164 Ų | 164 | 56.9 Ų | 56.9 | 86% | 0.859 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 0.5 | -175.3 | -51.7 | 169.5 | 0 | 0 | 0 | 115.8 | R117 | R117-L119 PolarHBondContact O-N 2.96Å; R117-L119 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 84.3 | Confident | 92.4 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130 | 174 | -62.6 | -174.4 | 173.4 | 0 | 0 | 110.2 | H116 R117 A118 C122 | H116-E120 CarbonylContact C-O 3.55Å; H116-E120 WeakPolarHBondContact CA-O 3.46Å; R117-E120 PolarHBondContact N-O 3.17Å; R117-E120 WeakPolarHBondContact O-CB 3.32Å; R117-E120 PolarHBondContact O-N 2.84Å; A118-E120 PolarHBondContact O-N 2.81Å; E120-C122 PolarHBondContact O-N 2.89Å |
| 121 | P | 91.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131 | 173.9 | -21.3 | 32.5 | 0 | 0 | 0 | 111.2 | ||
| 122 | C | 95 | Very high | 92 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 178.1 | -179.9 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | T115 R117 E120 L146 L153 | T115-C122 VanDerWaalsContact CG2-SG 3.57Å; T115-C122 PolarHBondContact N-O 3.01Å; T115-C122 PolarHBondContact O-N 3.25Å; R117-C122 PolarHBondContact N-SG 3.09Å; E120-C122 PolarHBondContact O-N 2.89Å; C122-L146 WeakPolarHBondContact CA-O 3.17Å; C122-L146 WeakPolarHBondContact CB-O 3.24Å; C122-L153 HydrophobicContact CB-CD1 3.82Å |
| 123 | V | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.1 | 166.9 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | L86 V112 E113 F114 Y145 L146 L217 | L86-V123 HydrophobicContact CD1-CG1 4.19Å; L86-V123 HydrophobicContact CD2-CG1 3.99Å; L86-V123 HydrophobicContact CG-CG1 4.09Å; V112-V123 HydrophobicContact CG1-CB 4.27Å; E113-V123 CarbonylContact O-C 3.6Å; E113-V123 WeakPolarHBondContact O-CA 3.4Å; F114-V123 HydrophobicContact CD1-CG1 3.55Å; F114-V123 HydrophobicContact CE1-CG1 3.63Å; V123-Y145 CarbonylContact O-C 3.56Å; V123-Y145 WeakPolarHBondContact O-CA 3.14Å; V123-L146 HydrophobicContact CG2-CB 3.79Å; V123-L146 PolarHBondContact N-O 3.47Å; V123-L146 PolarHBondContact O-N 2.9Å; V123-L217 HydrophobicContact CG2-CD1 3.77Å |
| 124 | I | 97.1 | Very high | 91.1 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.3 | 167 | -174.8 | 174.6 | 0 | 0 | 0 | 108.2 | V112 E113 T115 T143 A144 Y145 | V112-I124 VanDerWaalsContact CA-O 3.27Å; V112-I124 WeakPolarHBondContact CA-O 3.44Å; E113-I124 HydrophobicContact CB-CG2 4.05Å; E113-I124 PolarHBondContact N-O 3.38Å; E113-I124 PolarHBondContact O-N 2.85Å; T115-I124 HydrophobicContact CG2-CB 3.74Å; T115-I124 HydrophobicContact CG2-CG2 3.77Å; I124-T143 HydrophobicContact CD1-CG2 4Å; I124-T143 HydrophobicContact CG1-CG2 4.17Å; I124-A144 CarbonylContact C-O 3.49Å; I124-A144 WeakPolarHBondContact CA-O 3.4Å; I124-Y145 HydrophobicContact CB-CD1 4.27Å; I124-Y145 HydrophobicContact CB-CE1 4.19Å; I124-Y145 HydrophobicContact CD1-CE1 3.75Å; I124-Y145 HydrophobicContact CD1-CE2 4.26Å; I124-Y145 WeakPolarHBondContact CD1-OH 3.35Å; I124-Y145 HydrophobicContact CG1-CD1 4.4Å; I124-Y145 HydrophobicContact CG1-CE1 4.09Å |
| 125 | L | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.2 | 167.7 | 178 | 147 | 0 | 0 | 0 | 108.5 | V110 S111 V112 A127 T143 A144 M216 L217 | V110-L125 HydrophobicContact CG1-CD1 4.15Å; V110-L125 HydrophobicContact CG1-CG 4.23Å; S111-L125 CarbonylContact O-C 3.59Å; S111-L125 WeakPolarHBondContact O-CA 3.44Å; V112-L125 HydrophobicContact CG2-CB 4.15Å; V112-L125 HydrophobicContact CG2-CD1 3.84Å; V112-L125 HydrophobicContact CG2-CG 4.02Å; L125-A127 HydrophobicContact CD2-CB 3.96Å; L125-T143 CarbonylContact O-C 3.48Å; L125-T143 VanDerWaalsContact O-CA 3.32Å; L125-T143 WeakPolarHBondContact O-CA 3.24Å; L125-A144 PolarHBondContact N-O 3.48Å; L125-A144 PolarHBondContact O-N 2.95Å; L125-M216 HydrophobicContact CD1-CB 3.88Å; L125-M216 HydrophobicContact CD2-SD 4.44Å; L125-L217 HydrophobicContact CD1-CD2 4.35Å; L125-L217 HydrophobicContact CD1-CG 3.83Å |
| 126 | H | 97.8 | Very high | 90.5 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.4 | 171.4 | 177.7 | -121 | 0 | 0 | 0 | 109.3 | V110 S111 V142 T143 | V110-H126 CarbonylContact C-O 3.59Å; V110-H126 WeakPolarHBondContact CA-O 3.32Å; S111-H126 PolarHBondContact N-O 3.08Å; S111-H126 PolarHBondContact O-N 3.02Å; S111-H126 PolarHBondContact OG-O 3.25Å; H126-V142 CarbonylContact C-O 3.59Å; H126-V142 WeakPolarHBondContact CA-O 3.33Å; H126-T143 PolarHBondContact CD2-OG1 2.94Å |
| 127 | A | 97 | Very high | 90.7 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S109 V110 L125 T141 V142 M216 | S109-A127 CarbonylContact O-C 3.52Å; S109-A127 VanDerWaalsContact O-CA 3.27Å; S109-A127 WeakPolarHBondContact O-CA 3.21Å; V110-A127 HydrophobicContact CG1-CB 4.35Å; V110-A127 HydrophobicContact CG2-CB 3.9Å; L125-A127 HydrophobicContact CD2-CB 3.96Å; A127-T141 CarbonylContact O-C 3.51Å; A127-T141 WeakPolarHBondContact O-CA 3.4Å; A127-V142 HydrophobicContact CB-CB 4.45Å; A127-V142 PolarHBondContact N-O 3.43Å; A127-V142 PolarHBondContact O-N 2.88Å; A127-M216 HydrophobicContact CB-CE 3.84Å; A127-M216 HydrophobicContact CB-SD 3.68Å |
| 128 | R | 96.4 | Very high | 91 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 125.7 | 179.2 | -176.9 | -177.8 | 178.3 | 166.4 | 4.4 | 110.3 | F108 S109 T140 E333 | F108-R128 CarbonylContact C-O 3.41Å; F108-R128 VanDerWaalsContact CA-O 3.29Å; F108-R128 WeakPolarHBondContact CA-O 3.31Å; S109-R128 PolarHBondContact N-O 3.46Å; S109-R128 PolarHBondContact O-N 3.09Å; R128-T140 CarbonylContact C-O 3.57Å; R128-T140 WeakPolarHBondContact CA-O 3.48Å; R128-E333 IonicContact CZ-OE2 3.61Å; R128-E333 VanDerWaalsContact CZ-OE2 3.27Å; R128-E333 IonicContact NH1-OE2 3.66Å; R128-E333 PolarHBondContact NH1-OE2 3.3Å; R128-E333 IonicContact NH2-OE1 2.78Å; R128-E333 IonicContact NH2-OE2 3Å; R128-E333 PolarHBondContact NH2-OE2 3.5Å |
| 129 | S | 93.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.2 | 164.6 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | E107 G139 T140 | E107-S129 CarbonylContact O-C 3.54Å; E107-S129 WeakPolarHBondContact O-CA 3.31Å; S129-G139 CarbonylContact O-C 3.59Å; S129-G139 WeakPolarHBondContact O-CA 3.34Å; S129-T140 PolarHBondContact N-O 3.26Å; S129-T140 PolarHBondContact O-N 2.86Å |
| 130 | H | 93.1 | Very high | 92.3 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 29% | 0.292 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.7 | 171.2 | 67.7 | -80.2 | 0 | 0 | 0 | 110.4 | G106 E107 C138 | G106-H130 CarbonylContact C-O 3.52Å; G106-H130 WeakPolarHBondContact CA-O 3.43Å; E107-H130 PolarHBondContact N-O 3.18Å; E107-H130 PolarHBondContact O-N 2.86Å; H130-C138 WeakPolarHBondContact CA-O 3.21Å |
| 131 | G | 90.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | -167 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L105 P137 C138 | L105-G131 CarbonylContact O-C 3.56Å; L105-G131 WeakPolarHBondContact O-CA 2.99Å; G131-P137 CarbonylContact O-C 3.55Å; G131-P137 WeakPolarHBondContact O-CA 3.37Å; G131-C138 PolarHBondContact N-O 2.87Å; G131-C138 PolarHBondContact O-N 3.23Å; G131-C138 VanDerWaalsContact O-O 3.12Å |
| 132 | A | 89.5 | Confident | 93.3 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L105 S136 | L105-A132 PolarHBondContact O-N 3.38Å; A132-S136 VanDerWaalsContact CA-O 3.3Å; A132-S136 WeakPolarHBondContact CA-O 3.27Å |
| 133 | I | 85.4 | Confident | 93.4 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.1 | 174.3 | -59.7 | 173.9 | 0 | 0 | 0 | 106.7 | L105 G135 S136 V302 | L105-I133 HydrophobicContact CD1-CG1 4.42Å; I133-G135 PolarHBondContact O-N 2.84Å; I133-G135 VanDerWaalsContact O-N 3.15Å; I133-S136 PolarHBondContact N-O 2.83Å; I133-S136 WeakPolarHBondContact O-CB 3.19Å; I133-S136 PolarHBondContact O-N 3.28Å; I133-V302 HydrophobicContact CD1-CG2 3.92Å; I133-V302 HydrophobicContact CG1-CG2 4.22Å |
| 134 | D | 85.1 | Confident | 93.5 | Very high | 158 Ų | 158 | 38.8 Ų | 38.8 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.9 | -175 | -59.3 | -31.4 | 0 | 0 | 0 | 113.4 | S136 | D134-S136 PolarHBondContact O-N 2.84Š|
| 135 | G | 84 | Confident | 93.6 | Very high | 69 Ų | 69 | 38.6 Ų | 38.6 | 71% | 0.711 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -8.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | I133 P137 | I133-G135 PolarHBondContact O-N 2.84Å; I133-G135 VanDerWaalsContact O-N 3.15Å; G135-P137 WeakPolarHBondContact O-CD 3.34Å |
| 136 | S | 88.9 | Confident | 93.6 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.9 | -177.7 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | A132 I133 D134 C138 K162 L163 | A132-S136 VanDerWaalsContact CA-O 3.3Å; A132-S136 WeakPolarHBondContact CA-O 3.27Å; I133-S136 PolarHBondContact N-O 2.83Å; I133-S136 WeakPolarHBondContact O-CB 3.19Å; I133-S136 PolarHBondContact O-N 3.28Å; D134-S136 PolarHBondContact O-N 2.84Å; S136-C138 PolarHBondContact O-N 2.85Å; S136-K162 WeakPolarHBondContact CB-O 3.41Å; S136-L163 WeakPolarHBondContact OG-CD2 3.31Å |
| 137 | P | 91.9 | Very high | 93.5 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 129.6 | 177.7 | -22.2 | 32.7 | 0 | 0 | 0 | 111.8 | G131 G135 K162 | G131-P137 CarbonylContact O-C 3.55Å; G131-P137 WeakPolarHBondContact O-CA 3.37Å; G135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-K162 HydrophobicContact CB-CB 4.26Å; P137-K162 HydrophobicContact CB-CD 4.31Å; P137-K162 HydrophobicContact CG-CB 4.37Å; P137-K162 PolarHBondContact O-N 2.97Å |
| 138 | C | 93.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 14% | 0.142 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 161.6 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | H130 G131 S136 Y160 V161 | H130-C138 WeakPolarHBondContact CA-O 3.21Å; G131-C138 PolarHBondContact N-O 2.87Å; G131-C138 PolarHBondContact O-N 3.23Å; G131-C138 VanDerWaalsContact O-O 3.12Å; S136-C138 PolarHBondContact O-N 2.85Å; C138-Y160 CarbonylContact C-O 3.6Å; C138-Y160 WeakPolarHBondContact CA-O 3.39Å; C138-Y160 WeakPolarHBondContact CB-O 3.46Å; C138-V161 HydrophobicContact CB-CB 4.34Å; C138-V161 HydrophobicContact CB-CG1 4.26Å; C138-V161 HydrophobicContact CB-CG2 3.98Å |
| 139 | G | 94.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175 | 167.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S129 E159 Y160 | S129-G139 CarbonylContact O-C 3.59Å; S129-G139 WeakPolarHBondContact O-CA 3.34Å; G139-E159 CarbonylContact O-C 3.46Å; G139-E159 VanDerWaalsContact O-CA 3.3Å; G139-E159 WeakPolarHBondContact O-CA 3.32Å; G139-Y160 PolarHBondContact N-O 3.4Å; G139-Y160 PolarHBondContact O-N 3.08Å |
| 140 | T | 95.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 135.6 | 176.7 | -46.6 | 0 | 0 | 0 | 0 | 108.5 | R128 S129 V142 Y157 H158 E159 | R128-T140 CarbonylContact C-O 3.57Å; R128-T140 WeakPolarHBondContact CA-O 3.48Å; S129-T140 PolarHBondContact N-O 3.26Å; S129-T140 PolarHBondContact O-N 2.86Å; T140-V142 HydrophobicContact CG2-CG2 4.28Å; T140-Y157 HydrophobicContact CG2-CE1 4.34Å; T140-Y157 HydrophobicContact CG2-CE2 3.66Å; T140-Y157 WeakPolarHBondContact CG2-OH 3.3Å; T140-H158 CarbonylContact C-O 3.52Å; T140-H158 WeakPolarHBondContact CA-O 3.37Å; T140-E159 HydrophobicContact CG2-CB 4.46Å |
| 141 | T | 97.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.1 | 172.9 | -54 | 0 | 0 | 0 | 0 | 108.6 | A127 H158 | A127-T141 CarbonylContact O-C 3.51Å; A127-T141 WeakPolarHBondContact O-CA 3.4Å; T141-H158 PolarHBondContact N-O 2.93Å; T141-H158 PolarHBondContact O-N 3.27Å |
| 142 | V | 98.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.1 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | H126 A127 T140 E155 D156 Y157 E212 | H126-V142 CarbonylContact C-O 3.59Å; H126-V142 WeakPolarHBondContact CA-O 3.33Å; A127-V142 HydrophobicContact CB-CB 4.45Å; A127-V142 PolarHBondContact N-O 3.43Å; A127-V142 PolarHBondContact O-N 2.88Å; T140-V142 HydrophobicContact CG2-CG2 4.28Å; V142-E155 HydrophobicContact CG1-CG 4.01Å; V142-D156 CarbonylContact C-O 3.58Å; V142-D156 VanDerWaalsContact CA-O 3.32Å; V142-D156 WeakPolarHBondContact CA-O 3.36Å; V142-Y157 HydrophobicContact CG2-CD2 3.65Å; V142-Y157 HydrophobicContact CG2-CE2 3.98Å; V142-E212 HydrophobicContact CG1-CB 4.41Å; V142-E212 HydrophobicContact CG2-CB 4.31Å |
| 143 | T | 98.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.6 | 170.2 | -54 | 0 | 0 | 0 | 0 | 108.3 | I124 L125 H126 Y145 E155 D156 | I124-T143 HydrophobicContact CD1-CG2 4Å; I124-T143 HydrophobicContact CG1-CG2 4.17Å; L125-T143 CarbonylContact O-C 3.48Å; L125-T143 VanDerWaalsContact O-CA 3.32Å; L125-T143 WeakPolarHBondContact O-CA 3.24Å; H126-T143 PolarHBondContact CD2-OG1 2.94Å; T143-Y145 HydrophobicContact CG2-CE2 4.2Å; T143-E155 CarbonylContact O-C 3.55Å; T143-E155 VanDerWaalsContact O-CA 3.27Å; T143-E155 WeakPolarHBondContact O-CA 3.21Å; T143-D156 PolarHBondContact N-O 3.31Å; T143-D156 PolarHBondContact O-N 2.86Å |
| 144 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I124 L125 L146 E154 E155 | I124-A144 CarbonylContact C-O 3.49Å; I124-A144 WeakPolarHBondContact CA-O 3.4Å; L125-A144 PolarHBondContact N-O 3.48Å; L125-A144 PolarHBondContact O-N 2.95Å; A144-L146 HydrophobicContact CB-CD1 4.38Å; A144-L146 HydrophobicContact CB-CD2 4.04Å; A144-L146 HydrophobicContact CB-CG 4.1Å; A144-E154 CarbonylContact C-O 3.6Å; A144-E154 WeakPolarHBondContact CA-O 3.36Å; A144-E155 HydrophobicContact CB-CB 4.26Å; A144-E155 HydrophobicContact CB-CG 4.01Å; A144-E155 WeakPolarHBondContact CB-OE2 3.46Å |
| 145 | Y | 97.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 13% | 0.129 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.1 | 168.8 | -64.9 | -94.5 | 0 | 0 | 0 | 108.2 | T115 R117 V123 I124 T143 L153 E154 | T115-Y145 HydrophobicContact CG2-CD1 4.07Å; T115-Y145 HydrophobicContact CG2-CE1 4.11Å; R117-Y145 HydrophobicContact CB-CD1 4.16Å; R117-Y145 HydrophobicContact CG-CD1 4.32Å; R117-Y145 HydrophobicContact CG-CG 4.44Å; R117-Y145 PolarHBondContact NH1-OH 2.93Å; V123-Y145 CarbonylContact O-C 3.56Å; V123-Y145 WeakPolarHBondContact O-CA 3.14Å; I124-Y145 HydrophobicContact CB-CD1 4.27Å; I124-Y145 HydrophobicContact CB-CE1 4.19Å; I124-Y145 HydrophobicContact CD1-CE1 3.75Å; I124-Y145 HydrophobicContact CD1-CE2 4.26Å; I124-Y145 WeakPolarHBondContact CD1-OH 3.35Å; I124-Y145 HydrophobicContact CG1-CD1 4.4Å; I124-Y145 HydrophobicContact CG1-CE1 4.09Å; T143-Y145 HydrophobicContact CG2-CE2 4.2Å; Y145-L153 WeakPolarHBondContact O-CB 3.38Å; Y145-L153 PolarHBondContact O-N 3.48Å; Y145-E154 HydrophobicContact CD2-CB 4.09Å; Y145-E154 PolarHBondContact N-O 2.94Å; Y145-E154 PolarHBondContact O-N 3.37Å |
| 146 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.8 | -170.6 | -52.2 | 169.4 | 0 | 0 | 0 | 110.7 | C122 V123 A144 E151 V152 L217 | C122-L146 WeakPolarHBondContact CA-O 3.17Å; C122-L146 WeakPolarHBondContact CB-O 3.24Å; V123-L146 HydrophobicContact CG2-CB 3.79Å; V123-L146 PolarHBondContact N-O 3.47Å; V123-L146 PolarHBondContact O-N 2.9Å; A144-L146 HydrophobicContact CB-CD1 4.38Å; A144-L146 HydrophobicContact CB-CD2 4.04Å; A144-L146 HydrophobicContact CB-CG 4.1Å; L146-E151 CarbonylContact C-O 3.54Å; L146-E151 VanDerWaalsContact CA-O 3.31Å; L146-E151 WeakPolarHBondContact CA-O 3.34Å; L146-V152 HydrophobicContact CD2-CB 3.88Å; L146-V152 HydrophobicContact CD2-CG2 4.14Å; L146-L217 HydrophobicContact CD1-CD1 3.69Å; L146-L217 HydrophobicContact CD1-CG 4.47Å |
| 147 | T | 95.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 29.2 Ų | 29.2 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | trans | -70.2 | 176.4 | 171.5 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | D149 L150 E151 L153 | T147-D149 PolarHBondContact O-N 3.35Å; T147-D149 PolarHBondContact OG1-N 3.4Å; T147-L150 PolarHBondContact O-N 2.8Å; T147-E151 HydrophobicContact CG2-CB 4.1Å; T147-E151 PolarHBondContact N-O 2.73Å; T147-E151 VanDerWaalsContact OG1-CB 3.32Å; T147-E151 WeakPolarHBondContact OG1-CB 3.46Å; T147-E151 PolarHBondContact OG1-N 2.88Å; T147-E151 VanDerWaalsContact OG1-N 3.08Å; T147-L153 HydrophobicContact CG2-CD1 4.2Å; T147-L153 HydrophobicContact CG2-CD2 3.63Å; T147-L153 HydrophobicContact CG2-CG 3.85Å | ||
| 148 | A | 94.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 42% | 0.421 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L86 L150 | L86-A148 HydrophobicContact CD2-CB 4.11Å; A148-L150 PolarHBondContact O-N 3.24Å |
| 149 | D | 95.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 31.1 Ų | 31.1 | 36% | 0.358 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.8 | 177.5 | -57.8 | -21.6 | 0 | 0 | 0 | 112 | T147 E151 | T147-D149 PolarHBondContact O-N 3.35Å; T147-D149 PolarHBondContact OG1-N 3.4Å; D149-E151 PolarHBondContact O-N 3.15Å |
| 150 | L | 96.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | 61 | 20.3 | -176.4 | -50.3 | -175.7 | 0 | 0 | 0 | 115.4 | L78 I81 L86 T147 A148 V152 S214 L217 L218 L221 | L78-L150 HydrophobicContact CD2-CB 4.31Å; L78-L150 HydrophobicContact CD2-CD1 4.39Å; I81-L150 HydrophobicContact CD1-CD1 3.99Å; I81-L150 HydrophobicContact CD1-CG 3.76Å; L86-L150 HydrophobicContact CD1-CD2 4.41Å; T147-L150 PolarHBondContact O-N 2.8Å; A148-L150 PolarHBondContact O-N 3.24Å; L150-V152 PolarHBondContact O-N 3.34Å; L150-S214 WeakPolarHBondContact O-CB 3.47Å; L150-L217 HydrophobicContact CD1-CB 4.12Å; L150-L217 HydrophobicContact CD2-CB 3.94Å; L150-L217 HydrophobicContact CD2-CD1 3.79Å; L150-L218 HydrophobicContact CD1-CB 3.9Å; L150-L218 HydrophobicContact CD1-CD1 4.24Å; L150-L221 HydrophobicContact CD1-CD1 3.87Å; L150-L221 HydrophobicContact CG-CD1 4.44Å | ||
| 151 | E | 96.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 34.1 Ų | 34.1 | 41% | 0.407 | 18% | 0.179 | S | C | . | . | trans | -68.1 | 130.9 | 169.5 | -168.9 | -177.9 | 85.8 | 0 | 0 | 109.3 | L146 T147 D149 L153 Q176 M203 | L146-E151 CarbonylContact C-O 3.54Å; L146-E151 VanDerWaalsContact CA-O 3.31Å; L146-E151 WeakPolarHBondContact CA-O 3.34Å; T147-E151 HydrophobicContact CG2-CB 4.1Å; T147-E151 PolarHBondContact N-O 2.73Å; T147-E151 VanDerWaalsContact OG1-CB 3.32Å; T147-E151 WeakPolarHBondContact OG1-CB 3.46Å; T147-E151 PolarHBondContact OG1-N 2.88Å; T147-E151 VanDerWaalsContact OG1-N 3.08Å; D149-E151 PolarHBondContact O-N 3.15Å; E151-L153 PolarHBondContact O-N 2.73Å; E151-Q176 PolarHBondContact OE1-NE2 2.74Å; E151-M203 HydrophobicContact CG-CE 4.03Å | ||
| 152 | V | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.8 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | L146 L150 E155 M174 Q176 M181 L209 T211 | L146-V152 HydrophobicContact CD2-CB 3.88Å; L146-V152 HydrophobicContact CD2-CG2 4.14Å; L150-V152 PolarHBondContact O-N 3.34Å; V152-E155 HydrophobicContact CG2-CB 3.76Å; V152-M174 HydrophobicContact CG1-SD 3.64Å; V152-M174 HydrophobicContact CG2-SD 4.23Å; V152-Q176 WeakPolarHBondContact O-CG 3.03Å; V152-Q176 PolarHBondContact O-NE2 3.36Å; V152-M181 HydrophobicContact CG1-CE 3.63Å; V152-M181 WeakPolarHBondContact O-CE 3.44Å; V152-L209 HydrophobicContact CG1-CD2 4.01Å; V152-T211 HydrophobicContact CB-CG2 4.08Å; V152-T211 HydrophobicContact CG1-CG2 3.76Å; V152-T211 HydrophobicContact CG2-CG2 4.28Å |
| 153 | L | 96.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -42.1 | 171.2 | -61.8 | 176.6 | 0 | 0 | 0 | 110.4 | R117 C122 Y145 T147 E151 Q176 | R117-L153 HydrophobicContact CB-CD1 4.2Å; C122-L153 HydrophobicContact CB-CD1 3.82Å; Y145-L153 WeakPolarHBondContact O-CB 3.38Å; Y145-L153 PolarHBondContact O-N 3.48Å; T147-L153 HydrophobicContact CG2-CD1 4.2Å; T147-L153 HydrophobicContact CG2-CD2 3.63Å; T147-L153 HydrophobicContact CG2-CG 3.85Å; E151-L153 PolarHBondContact O-N 2.73Å; L153-Q176 PolarHBondContact O-N 2.91Å |
| 154 | E | 97.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 138.2 | 179.7 | -171.8 | 170.7 | 145 | 0 | 0 | 109.8 | R117 A144 Y145 H173 M174 V175 | R117-E154 IonicContact CZ-OE1 3.07Å; R117-E154 IonicContact CZ-OE2 2.76Å; R117-E154 IonicContact NE-OE2 2.76Å; R117-E154 PolarHBondContact NE-OE2 2.99Å; R117-E154 VanDerWaalsContact NE-OE2 3.07Å; R117-E154 IonicContact NH1-OE1 3.99Å; R117-E154 IonicContact NH2-OE1 2.65Å; R117-E154 PolarHBondContact NH2-OE1 3.19Å; R117-E154 IonicContact NH2-OE2 3.86Å; R117-E154 PolarHBondContact NH2-OE2 2.83Å; A144-E154 CarbonylContact C-O 3.6Å; A144-E154 WeakPolarHBondContact CA-O 3.36Å; Y145-E154 HydrophobicContact CD2-CB 4.09Å; Y145-E154 PolarHBondContact N-O 2.94Å; Y145-E154 PolarHBondContact O-N 3.37Å; E154-H173 IonicContact OE1-CE1 2.74Å; E154-H173 PolarHBondContact OE1-CE1 2.86Å; E154-M174 CarbonylContact C-O 3.58Å; E154-M174 WeakPolarHBondContact CA-O 3.39Å; E154-M174 WeakPolarHBondContact CG-O 3.18Å; E154-V175 HydrophobicContact CB-CG2 4.3Å; E154-V175 HydrophobicContact CG-CB 4.1Å; E154-V175 HydrophobicContact CG-CG2 4.05Å |
| 155 | E | 98.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 126.9 | 173.9 | -176.7 | 170.4 | 110.4 | 0 | 0 | 111.1 | V142 T143 A144 V152 M174 T211 G213 | V142-E155 HydrophobicContact CG1-CG 4.01Å; T143-E155 CarbonylContact O-C 3.55Å; T143-E155 VanDerWaalsContact O-CA 3.27Å; T143-E155 WeakPolarHBondContact O-CA 3.21Å; A144-E155 HydrophobicContact CB-CB 4.26Å; A144-E155 HydrophobicContact CB-CG 4.01Å; A144-E155 WeakPolarHBondContact CB-OE2 3.46Å; V152-E155 HydrophobicContact CG2-CB 3.76Å; E155-M174 HydrophobicContact CB-CB 4.42Å; E155-M174 PolarHBondContact N-O 2.89Å; E155-M174 PolarHBondContact O-N 3Å; E155-T211 WeakPolarHBondContact OE1-CB 3.2Å; E155-T211 WeakPolarHBondContact OE2-CB 3.46Å; E155-T211 PolarHBondContact OE2-OG1 2.87Å; E155-G213 WeakPolarHBondContact OE2-CA 3.28Å; E155-G213 PolarHBondContact OE2-N 2.9Å |
| 156 | D | 97.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.7 | 167.9 | -70.6 | -59.6 | 0 | 0 | 0 | 109.1 | V142 T143 H173 | V142-D156 CarbonylContact C-O 3.58Å; V142-D156 VanDerWaalsContact CA-O 3.32Å; V142-D156 WeakPolarHBondContact CA-O 3.36Å; T143-D156 PolarHBondContact N-O 3.31Å; T143-D156 PolarHBondContact O-N 2.86Å; D156-H173 IonicContact OD1-CE1 3.53Å; D156-H173 IonicContact OD1-CG 3.6Å; D156-H173 IonicContact OD1-ND1 3.07Å; D156-H173 PolarHBondContact OD1-ND1 3.47Å |
| 157 | Y | 97.2 | Very high | 92 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 14% | 0.137 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.7 | 175.1 | -178.6 | -77.1 | 0 | 0 | 0 | 109.6 | T140 V142 E159 K170 R171 S172 E212 | T140-Y157 HydrophobicContact CG2-CE1 4.34Å; T140-Y157 HydrophobicContact CG2-CE2 3.66Å; T140-Y157 WeakPolarHBondContact CG2-OH 3.3Å; V142-Y157 HydrophobicContact CG2-CD2 3.65Å; V142-Y157 HydrophobicContact CG2-CE2 3.98Å; Y157-E159 HydrophobicContact CE1-CB 3.53Å; Y157-E159 PolarHBondContact OH-OE1 2.84Å; Y157-K170 HydrophobicContact CD1-CG 4.22Å; Y157-K170 HydrophobicContact CE1-CD 3.98Å; Y157-K170 HydrophobicContact CE1-CG 3.88Å; Y157-K170 VanDerWaalsContact CE1-NZ 3.34Å; Y157-K170 PolarHBondContact OH-NZ 2.88Å; Y157-R171 CarbonylContact O-C 3.59Å; Y157-R171 VanDerWaalsContact O-CA 3.28Å; Y157-R171 WeakPolarHBondContact O-CA 3.48Å; Y157-S172 PolarHBondContact N-O 2.81Å; Y157-S172 PolarHBondContact O-N 3.47Å; Y157-E212 HydrophobicContact CD2-CG 4.47Å; Y157-E212 HydrophobicContact CE2-CG 4.22Å |
| 158 | H | 96.3 | Very high | 91.8 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.7 | 173.8 | 172.2 | -151 | 0 | 0 | 0 | 109.9 | T140 T141 Y160 E169 K170 R171 | T140-H158 CarbonylContact C-O 3.52Å; T140-H158 WeakPolarHBondContact CA-O 3.37Å; T141-H158 PolarHBondContact N-O 2.93Å; T141-H158 PolarHBondContact O-N 3.27Å; H158-Y160 AromaticContact CE1-CD1 3.91Å; H158-Y160 AromaticContact NE2-CD1 3.88Å; H158-E169 IonicContact CD2-OE1 3.73Å; H158-E169 IonicContact CE1-OE1 3.04Å; H158-E169 IonicContact NE2-OE1 3.42Å; H158-E169 PolarHBondContact NE2-OE1 2.8Å; H158-K170 CarbonylContact C-O 3.56Å; H158-K170 WeakPolarHBondContact CA-O 3.21Å; H158-R171 HydrophobicContact CB-CG 4.46Å |
| 159 | E | 95.4 | Very high | 91.7 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.8 | 172.2 | 176.8 | 173.9 | -118 | 0 | 0 | 109.9 | G139 T140 Y157 E169 K170 | G139-E159 CarbonylContact O-C 3.46Å; G139-E159 VanDerWaalsContact O-CA 3.3Å; G139-E159 WeakPolarHBondContact O-CA 3.32Å; T140-E159 HydrophobicContact CG2-CB 4.46Å; Y157-E159 HydrophobicContact CE1-CB 3.53Å; Y157-E159 PolarHBondContact OH-OE1 2.84Å; E159-E169 CarbonylContact O-C 3.57Å; E159-E169 WeakPolarHBondContact O-CA 3.32Å; E159-K170 HydrophobicContact CB-CD 4.3Å; E159-K170 HydrophobicContact CB-CG 4.14Å; E159-K170 PolarHBondContact N-O 2.93Å; E159-K170 PolarHBondContact O-N 3.07Å; E159-K170 WeakPolarHBondContact OE2-CD 3.34Å; E159-K170 IonicContact OE2-NZ 3.9Å; E159-K170 PolarHBondContact OE2-NZ 3.37Å |
| 160 | Y | 93.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.7 | 176.2 | 70.8 | -90 | 0 | 0 | 0 | 111.9 | C138 G139 H158 K162 V168 | C138-Y160 CarbonylContact C-O 3.6Å; C138-Y160 WeakPolarHBondContact CA-O 3.39Å; C138-Y160 WeakPolarHBondContact CB-O 3.46Å; G139-Y160 PolarHBondContact N-O 3.4Å; G139-Y160 PolarHBondContact O-N 3.08Å; H158-Y160 AromaticContact CE1-CD1 3.91Å; H158-Y160 AromaticContact NE2-CD1 3.88Å; Y160-K162 HydrophobicContact CD2-CG 4.2Å; Y160-V168 CarbonylContact C-O 3.59Å; Y160-V168 VanDerWaalsContact CA-O 3.25Å; Y160-V168 WeakPolarHBondContact CA-O 3.38Å |
| 161 | V | 92.6 | Very high | 91.6 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 125.2 | 168.2 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | C138 L163 V168 | C138-V161 HydrophobicContact CB-CB 4.34Å; C138-V161 HydrophobicContact CB-CG1 4.26Å; C138-V161 HydrophobicContact CB-CG2 3.98Å; V161-L163 HydrophobicContact CG1-CD1 4.36Å; V161-L163 HydrophobicContact CG1-CD2 4.04Å; V161-L163 HydrophobicContact CG1-CG 3.99Å; V161-V168 PolarHBondContact N-O 3.25Å; V161-V168 PolarHBondContact O-N 3.15Å |
| 162 | K | 88.9 | Confident | 91.6 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.9 | 177.4 | -62.9 | -175.7 | -178.7 | -178.3 | 0 | 109.5 | S136 P137 Y160 N167 | S136-K162 WeakPolarHBondContact CB-O 3.41Å; P137-K162 HydrophobicContact CB-CB 4.26Å; P137-K162 HydrophobicContact CB-CD 4.31Å; P137-K162 HydrophobicContact CG-CB 4.37Å; P137-K162 PolarHBondContact O-N 2.97Å; Y160-K162 HydrophobicContact CD2-CG 4.2Å; K162-N167 VanDerWaalsContact CA-OD1 3.22Å; K162-N167 WeakPolarHBondContact CA-OD1 3.5Å; K162-N167 WeakPolarHBondContact CB-OD1 3.48Å |
| 163 | L | 84.7 | Confident | 91.6 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.5 | 176 | -53.1 | 159.7 | 0 | 0 | 0 | 108.7 | S136 V161 S165 Y166 | S136-L163 WeakPolarHBondContact OG-CD2 3.31Å; V161-L163 HydrophobicContact CG1-CD1 4.36Å; V161-L163 HydrophobicContact CG1-CD2 4.04Å; V161-L163 HydrophobicContact CG1-CG 3.99Å; L163-S165 PolarHBondContact O-N 2.94Å; L163-Y166 WeakPolarHBondContact CA-O 3.46Å; L163-Y166 HydrophobicContact CB-CD1 4.38Å; L163-Y166 HydrophobicContact CB-CE1 4.29Å; L163-Y166 WeakPolarHBondContact CB-O 3.39Å; L163-Y166 HydrophobicContact CD1-CD1 4.46Å; L163-Y166 HydrophobicContact CD1-CD2 3.78Å; L163-Y166 HydrophobicContact CD1-CE1 3.92Å; L163-Y166 HydrophobicContact CD1-CE2 3.17Å; L163-Y166 HydrophobicContact CD1-CG 4.39Å; L163-Y166 WeakPolarHBondContact CD1-OH 3.27Å; L163-Y166 HydrophobicContact CG-CE2 4.46Å; L163-Y166 PolarHBondContact N-O 2.89Å; L163-Y166 VanDerWaalsContact N-O 3.14Å; L163-Y166 PolarHBondContact O-N 3.06Å |
| 164 | D | 77.9 | Confident | 91.7 | Very high | 176 Ų | 176 | 66 Ų | 66 | 94% | 0.941 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29 | -171.6 | -67.6 | -26.5 | 0 | 0 | 0 | 114.3 | ||
| 165 | S | 74.3 | Confident | 91.6 | Very high | 107 Ų | 107 | 65.6 Ų | 65.6 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -4.9 | -175.4 | 52 | 0 | 0 | 0 | 0 | 114.9 | L163 | L163-S165 PolarHBondContact O-N 2.94Š|
| 166 | Y | 80.5 | Confident | 91.5 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 133.9 | 176.8 | 57.8 | -75.9 | 0 | 0 | 0 | 110.9 | L163 V168 | L163-Y166 WeakPolarHBondContact CA-O 3.46Å; L163-Y166 HydrophobicContact CB-CD1 4.38Å; L163-Y166 HydrophobicContact CB-CE1 4.29Å; L163-Y166 WeakPolarHBondContact CB-O 3.39Å; L163-Y166 HydrophobicContact CD1-CD1 4.46Å; L163-Y166 HydrophobicContact CD1-CD2 3.78Å; L163-Y166 HydrophobicContact CD1-CE1 3.92Å; L163-Y166 HydrophobicContact CD1-CE2 3.17Å; L163-Y166 HydrophobicContact CD1-CG 4.39Å; L163-Y166 WeakPolarHBondContact CD1-OH 3.27Å; L163-Y166 HydrophobicContact CG-CE2 4.46Å; L163-Y166 PolarHBondContact N-O 2.89Å; L163-Y166 VanDerWaalsContact N-O 3.14Å; L163-Y166 PolarHBondContact O-N 3.06Å; Y166-V168 HydrophobicContact CD2-CG2 4.01Å; Y166-V168 HydrophobicContact CE2-CG2 4.35Å |
| 167 | N | 86.9 | Confident | 91.3 | Very high | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.2 | 170.2 | -63.4 | -43.7 | 0 | 0 | 0 | 108.6 | K162 M189 G190 | K162-N167 VanDerWaalsContact CA-OD1 3.22Å; K162-N167 WeakPolarHBondContact CA-OD1 3.5Å; K162-N167 WeakPolarHBondContact CB-OD1 3.48Å; N167-M189 WeakPolarHBondContact O-CA 3.43Å; N167-G190 PolarHBondContact O-N 2.76Å |
| 168 | V | 91.2 | Very high | 91 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.8 | 170 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | Y160 V161 Y166 V188 M189 | Y160-V168 CarbonylContact C-O 3.59Å; Y160-V168 VanDerWaalsContact CA-O 3.25Å; Y160-V168 WeakPolarHBondContact CA-O 3.38Å; V161-V168 PolarHBondContact N-O 3.25Å; V161-V168 PolarHBondContact O-N 3.15Å; Y166-V168 HydrophobicContact CD2-CG2 4.01Å; Y166-V168 HydrophobicContact CE2-CG2 4.35Å; V168-V188 WeakPolarHBondContact CA-O 3.34Å; V168-M189 HydrophobicContact CG1-CG 4.48Å |
| 169 | E | 92.8 | Very high | 90.9 | Very high | 53 Ų | 53 | 80 Ų | 80 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.7 | 175.6 | -174.8 | 173.5 | -174.2 | 0 | 0 | 109.2 | H158 E159 R171 T187 V188 | H158-E169 IonicContact CD2-OE1 3.73Å; H158-E169 IonicContact CE1-OE1 3.04Å; H158-E169 IonicContact NE2-OE1 3.42Å; H158-E169 PolarHBondContact NE2-OE1 2.8Å; E159-E169 CarbonylContact O-C 3.57Å; E159-E169 WeakPolarHBondContact O-CA 3.32Å; E169-R171 HydrophobicContact CG-CG 4.42Å; E169-R171 IonicContact OE1-CZ 3.23Å; E169-R171 IonicContact OE1-NE 3.94Å; E169-R171 PolarHBondContact OE1-NE 2.84Å; E169-R171 IonicContact OE1-NH2 3.44Å; E169-R171 PolarHBondContact OE1-NH2 2.78Å; E169-R171 IonicContact OE2-NH2 2.67Å; E169-T187 CarbonylContact O-C 3.6Å; E169-T187 WeakPolarHBondContact O-CA 3.44Å; E169-V188 HydrophobicContact CB-CB 4.38Å; E169-V188 PolarHBondContact N-O 2.94Å; E169-V188 PolarHBondContact O-N 3.18Å |
| 170 | K | 93.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 81.5 Ų | 81.5 | 21% | 0.213 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.7 | 178.1 | 130.2 | -179.2 | 175.9 | -133.8 | 0 | 108.2 | Y157 H158 E159 F186 | Y157-K170 HydrophobicContact CD1-CG 4.22Å; Y157-K170 HydrophobicContact CE1-CD 3.98Å; Y157-K170 HydrophobicContact CE1-CG 3.88Å; Y157-K170 VanDerWaalsContact CE1-NZ 3.34Å; Y157-K170 PolarHBondContact OH-NZ 2.88Å; H158-K170 CarbonylContact C-O 3.56Å; H158-K170 WeakPolarHBondContact CA-O 3.21Å; E159-K170 HydrophobicContact CB-CD 4.3Å; E159-K170 HydrophobicContact CB-CG 4.14Å; E159-K170 PolarHBondContact N-O 2.93Å; E159-K170 PolarHBondContact O-N 3.07Å; E159-K170 WeakPolarHBondContact OE2-CD 3.34Å; E159-K170 IonicContact OE2-NZ 3.9Å; E159-K170 PolarHBondContact OE2-NZ 3.37Å; K170-F186 CarbonylContact C-O 3.52Å; K170-F186 WeakPolarHBondContact CA-O 3.24Å |
| 171 | R | 94.8 | Very high | 91.1 | Very high | 132 Ų | 132 | 79 Ų | 79 | 50% | 0.498 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.8 | 174.5 | -63.4 | -176.5 | -179.4 | -179.3 | 3.1 | 109.1 | Y157 H158 E169 K185 F186 | Y157-R171 CarbonylContact O-C 3.59Å; Y157-R171 VanDerWaalsContact O-CA 3.28Å; Y157-R171 WeakPolarHBondContact O-CA 3.48Å; H158-R171 HydrophobicContact CB-CG 4.46Å; E169-R171 HydrophobicContact CG-CG 4.42Å; E169-R171 IonicContact OE1-CZ 3.23Å; E169-R171 IonicContact OE1-NE 3.94Å; E169-R171 PolarHBondContact OE1-NE 2.84Å; E169-R171 IonicContact OE1-NH2 3.44Å; E169-R171 PolarHBondContact OE1-NH2 2.78Å; E169-R171 IonicContact OE2-NH2 2.67Å; R171-K185 CarbonylContact O-C 3.58Å; R171-K185 VanDerWaalsContact O-CA 3.31Å; R171-K185 WeakPolarHBondContact O-CA 3.43Å; R171-F186 HydrophobicContact CB-CB 4.42Å; R171-F186 PolarHBondContact N-O 3.38Å; R171-F186 PolarHBondContact O-N 3.26Å |
| 172 | S | 95.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 77.6 Ų | 77.6 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.1 | 170.5 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | Y157 N184 | Y157-S172 PolarHBondContact N-O 2.81Å; Y157-S172 PolarHBondContact O-N 3.47Å; S172-N184 CarbonylContact C-O 3.52Å; S172-N184 VanDerWaalsContact CA-O 3.26Å; S172-N184 WeakPolarHBondContact CA-O 3.44Å |
| 173 | H | 97.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 72.2 Ų | 72.2 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 114.6 | 175 | 179.2 | 73.8 | 0 | 0 | 0 | 108.5 | E154 D156 I183 N184 | E154-H173 IonicContact OE1-CE1 2.74Å; E154-H173 PolarHBondContact OE1-CE1 2.86Å; D156-H173 IonicContact OD1-CE1 3.53Å; D156-H173 IonicContact OD1-CG 3.6Å; D156-H173 IonicContact OD1-ND1 3.07Å; D156-H173 PolarHBondContact OD1-ND1 3.47Å; H173-I183 WeakPolarHBondContact O-CA 3.27Å; H173-N184 PolarHBondContact N-O 2.75Å; H173-N184 PolarHBondContact O-N 3.47Å |
| 174 | M | 97.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 71.6 Ų | 71.6 | 7% | 0.069 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.9 | 178.1 | 174.4 | -178.7 | -66 | 0 | 0 | 108.8 | V152 E154 E155 M181 V182 I183 L209 T211 L237 | V152-M174 HydrophobicContact CG1-SD 3.64Å; V152-M174 HydrophobicContact CG2-SD 4.23Å; E154-M174 CarbonylContact C-O 3.58Å; E154-M174 WeakPolarHBondContact CA-O 3.39Å; E154-M174 WeakPolarHBondContact CG-O 3.18Å; E155-M174 HydrophobicContact CB-CB 4.42Å; E155-M174 PolarHBondContact N-O 2.89Å; E155-M174 PolarHBondContact O-N 3Å; M174-M181 HydrophobicContact CB-SD 4.49Å; M174-M181 HydrophobicContact CG-CE 4.07Å; M174-M181 HydrophobicContact CG-CG 3.64Å; M174-M181 HydrophobicContact CG-SD 3.16Å; M174-M181 WeakPolarHBondContact CG-SD 3.19Å; M174-M181 HydrophobicContact SD-CE 4.06Å; M174-M181 HydrophobicContact SD-CG 4.05Å; M174-M181 HydrophobicContact SD-SD 3.89Å; M174-V182 CarbonylContact C-O 3.59Å; M174-V182 WeakPolarHBondContact CA-O 3.36Å; M174-I183 HydrophobicContact CB-CG1 4.09Å; M174-I183 HydrophobicContact CE-CD1 3.81Å; M174-I183 HydrophobicContact CE-CG1 3.84Å; M174-I183 HydrophobicContact CG-CG1 3.88Å; M174-L209 HydrophobicContact CE-CD2 4.33Å; M174-L209 HydrophobicContact SD-CD2 4.16Å; M174-T211 HydrophobicContact CE-CG2 4.21Å; M174-T211 HydrophobicContact SD-CG2 3.81Å; M174-L237 HydrophobicContact CE-CD1 3.6Å |
| 175 | V | 96.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136.9 | 179.8 | 63 | 0 | 0 | 0 | 0 | 112.7 | E154 R177 V182 | E154-V175 HydrophobicContact CB-CG2 4.3Å; E154-V175 HydrophobicContact CG-CB 4.1Å; E154-V175 HydrophobicContact CG-CG2 4.05Å; V175-R177 HydrophobicContact CG1-CG 4.3Å; V175-R177 PolarHBondContact O-N 2.91Å; V175-V182 PolarHBondContact N-O 3.42Å; V175-V182 PolarHBondContact O-N 3.45Å |
| 176 | Q | 95.3 | Very high | 94 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127 | 172 | -67.6 | -166.1 | 15.8 | 0 | 0 | 111 | E151 V152 L153 M181 M203 | E151-Q176 PolarHBondContact OE1-NE2 2.74Å; V152-Q176 WeakPolarHBondContact O-CG 3.03Å; V152-Q176 PolarHBondContact O-NE2 3.36Å; L153-Q176 PolarHBondContact O-N 2.91Å; Q176-M181 HydrophobicContact CG-CE 3.5Å; Q176-M181 VanDerWaalsContact CG-CE 3.5Å; Q176-M181 HydrophobicContact CG-SD 4.16Å; Q176-M203 HydrophobicContact CG-CE 4.21Å; Q176-M203 HydrophobicContact CG-SD 4.03Å |
| 177 | R | 93.9 | Very high | 94.5 | Very high | 158 Ų | 158 | 57.7 Ų | 57.7 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 96.1 | 172.3 | -65.5 | -168.7 | 178.9 | -176.1 | 1.2 | 109.9 | V175 K179 Q180 V182 | V175-R177 HydrophobicContact CG1-CG 4.3Å; V175-R177 PolarHBondContact O-N 2.91Å; R177-K179 PolarHBondContact O-N 2.83Å; R177-Q180 PolarHBondContact N-O 3.06Å; R177-Q180 PolarHBondContact O-N 2.84Å; R177-V182 HydrophobicContact CB-CG2 4.2Å; R177-V182 HydrophobicContact CG-CG2 4.26Å |
| 178 | G | 90.2 | Very high | 94.7 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 78% | 0.784 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | -114.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 179 | K | 93.8 | Very high | 94.5 | Very high | 183 Ų | 183 | 57.3 Ų | 57.3 | 80% | 0.796 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 13.6 | 178.2 | -64.4 | -173 | 179.1 | -177.2 | 0 | 113.5 | R177 M203 | R177-K179 PolarHBondContact O-N 2.83Å; K179-M203 PolarHBondContact O-N 2.86Å |
| 180 | Q | 97.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 56 Ų | 56 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.2 | -177.4 | -61.5 | -170.8 | 43.1 | 0 | 0 | 110.8 | R177 S200 Y201 | R177-Q180 PolarHBondContact N-O 3.06Å; R177-Q180 PolarHBondContact O-N 2.84Å; Q180-S200 PolarHBondContact OE1-OG 2.89Å; Q180-Y201 CarbonylContact C-O 3.54Å; Q180-Y201 VanDerWaalsContact CA-O 3.29Å; Q180-Y201 WeakPolarHBondContact CA-O 3.22Å |
| 181 | M | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.8 | 164.4 | -175.7 | 59.8 | 76.3 | 0 | 0 | 108.4 | V152 M174 Q176 I183 S200 Y201 M203 L206 | V152-M181 HydrophobicContact CG1-CE 3.63Å; V152-M181 WeakPolarHBondContact O-CE 3.44Å; M174-M181 HydrophobicContact CB-SD 4.49Å; M174-M181 HydrophobicContact CG-CE 4.07Å; M174-M181 HydrophobicContact CG-CG 3.64Å; M174-M181 HydrophobicContact CG-SD 3.16Å; M174-M181 WeakPolarHBondContact CG-SD 3.19Å; M174-M181 HydrophobicContact SD-CE 4.06Å; M174-M181 HydrophobicContact SD-CG 4.05Å; M174-M181 HydrophobicContact SD-SD 3.89Å; Q176-M181 HydrophobicContact CG-CE 3.5Å; Q176-M181 VanDerWaalsContact CG-CE 3.5Å; Q176-M181 HydrophobicContact CG-SD 4.16Å; M181-I183 HydrophobicContact CG-CD1 4.21Å; M181-I183 HydrophobicContact CG-CG1 4.05Å; M181-S200 VanDerWaalsContact O-CA 3.28Å; M181-S200 WeakPolarHBondContact O-CA 3.37Å; M181-S200 PolarHBondContact O-OG 3.23Å; M181-Y201 PolarHBondContact N-O 2.83Å; M181-Y201 PolarHBondContact O-N 2.96Å; M181-M203 HydrophobicContact CB-SD 3.92Å; M181-M203 HydrophobicContact CE-CE 4.35Å; M181-M203 HydrophobicContact CE-SD 3.83Å; M181-L206 HydrophobicContact CB-CD1 3.33Å; M181-L206 HydrophobicContact CG-CD1 3.8Å |
| 182 | V | 97.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.3 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | M174 V175 R177 | M174-V182 CarbonylContact C-O 3.59Å; M174-V182 WeakPolarHBondContact CA-O 3.36Å; V175-V182 PolarHBondContact N-O 3.42Å; V175-V182 PolarHBondContact O-N 3.45Å; R177-V182 HydrophobicContact CB-CG2 4.2Å; R177-V182 HydrophobicContact CG-CG2 4.26Å |
| 183 | I | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.2 | -177.1 | -56 | 149.1 | 0 | 0 | 0 | 108.3 | H173 M174 M181 C198 V199 Y201 L237 L241 | H173-I183 WeakPolarHBondContact O-CA 3.27Å; M174-I183 HydrophobicContact CB-CG1 4.09Å; M174-I183 HydrophobicContact CE-CD1 3.81Å; M174-I183 HydrophobicContact CE-CG1 3.84Å; M174-I183 HydrophobicContact CG-CG1 3.88Å; M181-I183 HydrophobicContact CG-CD1 4.21Å; M181-I183 HydrophobicContact CG-CG1 4.05Å; I183-C198 WeakPolarHBondContact O-CA 3.23Å; I183-V199 HydrophobicContact CB-CG2 3.96Å; I183-V199 HydrophobicContact CD1-CG2 3.93Å; I183-V199 PolarHBondContact N-O 3.02Å; I183-V199 PolarHBondContact O-N 2.58Å; I183-Y201 HydrophobicContact CD1-CD2 4.08Å; I183-Y201 HydrophobicContact CD1-CE2 4.43Å; I183-L237 HydrophobicContact CD1-CD1 3.19Å; I183-L237 HydrophobicContact CG1-CD1 4.45Å; I183-L241 HydrophobicContact CG2-CD1 4.05Å; I183-L241 HydrophobicContact CG2-CD2 4.02Å |
| 184 | N | 95.6 | Very high | 89.8 | Confident | 35 Ų | 35 | 68 Ų | 68 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.9 | 170.7 | -53.9 | -62 | 0 | 0 | 0 | 108.3 | S172 H173 F186 E197 C198 | S172-N184 CarbonylContact C-O 3.52Å; S172-N184 VanDerWaalsContact CA-O 3.26Å; S172-N184 WeakPolarHBondContact CA-O 3.44Å; H173-N184 PolarHBondContact N-O 2.75Å; H173-N184 PolarHBondContact O-N 3.47Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 4.4Å; N184-E197 CarbonylContact C-O 3.58Å; N184-E197 WeakPolarHBondContact CA-O 3.29Å; N184-C198 PolarHBondContact OD1-SG 3.22Å |
| 185 | K | 95.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.6 | 178.1 | 176.7 | -170.8 | 161.5 | -148.4 | 0 | 108.7 | R171 E196 E197 Q239 L241 | R171-K185 CarbonylContact O-C 3.58Å; R171-K185 VanDerWaalsContact O-CA 3.31Å; R171-K185 WeakPolarHBondContact O-CA 3.43Å; K185-E196 WeakPolarHBondContact O-CA 3.4Å; K185-E197 HydrophobicContact CB-CB 4.36Å; K185-E197 PolarHBondContact N-O 2.8Å; K185-E197 IonicContact NZ-OE1 2.76Å; K185-E197 PolarHBondContact NZ-OE1 3.39Å; K185-E197 IonicContact NZ-OE2 2.61Å; K185-E197 PolarHBondContact O-N 3.03Å; K185-Q239 WeakPolarHBondContact CE-O 3.33Å; K185-Q239 PolarHBondContact NZ-O 3.34Å; K185-L241 HydrophobicContact CB-CD1 4.02Å; K185-L241 HydrophobicContact CD-CD1 4.29Å; K185-L241 HydrophobicContact CD-CD2 4.16Å; K185-L241 HydrophobicContact CD-CG 4.21Å |
| 186 | F | 91.8 | Very high | 88.9 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.2 | 179.2 | -61.2 | -91.5 | 0 | 0 | 0 | 108.5 | K170 R171 N184 E195 E196 | K170-F186 CarbonylContact C-O 3.52Å; K170-F186 WeakPolarHBondContact CA-O 3.24Å; R171-F186 HydrophobicContact CB-CB 4.42Å; R171-F186 PolarHBondContact N-O 3.38Å; R171-F186 PolarHBondContact O-N 3.26Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 4.4Å; F186-E195 CarbonylContact C-O 3.52Å; F186-E195 WeakPolarHBondContact CA-O 3.45Å; F186-E196 HydrophobicContact CD1-CB 4.18Å; F186-E196 HydrophobicContact CD1-CG 3.86Å; F186-E196 HydrophobicContact CE1-CB 4.26Å; F186-E196 HydrophobicContact CE1-CG 3.52Å; F186-E196 VanDerWaalsContact CE1-OE1 3.31Å; F186-E196 WeakPolarHBondContact CE1-OE1 3.3Å; F186-E196 HydrophobicContact CZ-CG 4.11Å; F186-E196 WeakPolarHBondContact CZ-OE1 3.39Å |
| 187 | T | 92.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 77.6 Ų | 77.6 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.6 | 172.9 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | E169 M189 T194 E195 | E169-T187 CarbonylContact O-C 3.6Å; E169-T187 WeakPolarHBondContact O-CA 3.44Å; T187-M189 HydrophobicContact CG2-CG 4.16Å; T187-T194 CarbonylContact O-C 3.55Å; T187-T194 VanDerWaalsContact O-CA 3.3Å; T187-T194 WeakPolarHBondContact O-CA 3.19Å; T187-E195 PolarHBondContact N-O 3.39Å; T187-E195 PolarHBondContact O-N 2.82Å |
| 188 | V | 89.8 | Confident | 88.8 | Confident | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V168 E169 V193 T194 | V168-V188 WeakPolarHBondContact CA-O 3.34Å; E169-V188 HydrophobicContact CB-CB 4.38Å; E169-V188 PolarHBondContact N-O 2.94Å; E169-V188 PolarHBondContact O-N 3.18Å; V188-V193 CarbonylContact C-O 3.58Å; V188-V193 WeakPolarHBondContact CA-O 3.43Å; V188-T194 HydrophobicContact CG2-CG2 4.3Å |
| 189 | M | 88.1 | Confident | 89.1 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 106.8 | 176.5 | -62.8 | -172.1 | -71.6 | 0 | 0 | 109.7 | N167 V168 T187 V193 | N167-M189 WeakPolarHBondContact O-CA 3.43Å; V168-M189 HydrophobicContact CG1-CG 4.48Å; T187-M189 HydrophobicContact CG2-CG 4.16Å; M189-V193 HydrophobicContact CB-CB 4.22Å; M189-V193 HydrophobicContact CE-CG1 3.85Å; M189-V193 PolarHBondContact N-O 2.76Å; M189-V193 WeakPolarHBondContact O-CB 3.37Å |
| 190 | G | 80.8 | Confident | 89.2 | Confident | 27 Ų | 27 | 66 Ų | 66 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -153.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N167 | N167-G190 PolarHBondContact O-N 2.76Š|
| 191 | E | 72.1 | Confident | 89.2 | Confident | 194 Ų | 194 | 63.2 Ų | 63.2 | 91% | 0.907 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -23.9 | -174.5 | -66.7 | -177 | 158.6 | 0 | 0 | 113.7 | ||
| 192 | D | 67.1 | Low | 89.2 | Confident | 154 Ų | 154 | 65.9 Ų | 65.9 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -5.9 | -164.8 | -66.5 | -41.4 | 0 | 0 | 0 | 115.7 | ||
| 193 | V | 73.2 | Confident | 89 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.3 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | V188 M189 | V188-V193 CarbonylContact C-O 3.58Å; V188-V193 WeakPolarHBondContact CA-O 3.43Å; M189-V193 HydrophobicContact CB-CB 4.22Å; M189-V193 HydrophobicContact CE-CG1 3.85Å; M189-V193 PolarHBondContact N-O 2.76Å; M189-V193 WeakPolarHBondContact O-CB 3.37Å |
| 194 | T | 81.7 | Confident | 88.8 | Confident | 89 Ų | 89 | 71.2 Ų | 71.2 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.7 | 170.3 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | T187 V188 | T187-T194 CarbonylContact O-C 3.55Å; T187-T194 VanDerWaalsContact O-CA 3.3Å; T187-T194 WeakPolarHBondContact O-CA 3.19Å; V188-T194 HydrophobicContact CG2-CG2 4.3Å |
| 195 | E | 86.7 | Confident | 88.8 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.9 | 169.3 | -65.4 | 177 | 177.5 | 0 | 0 | 108.4 | F186 T187 | F186-E195 CarbonylContact C-O 3.52Å; F186-E195 WeakPolarHBondContact CA-O 3.45Å; T187-E195 PolarHBondContact N-O 3.39Å; T187-E195 PolarHBondContact O-N 2.82Å |
| 196 | E | 90.1 | Very high | 88.8 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.1 | 176.4 | -177.8 | 175.2 | 178.2 | 0 | 0 | 109 | K185 F186 | K185-E196 WeakPolarHBondContact O-CA 3.4Å; F186-E196 HydrophobicContact CD1-CB 4.18Å; F186-E196 HydrophobicContact CD1-CG 3.86Å; F186-E196 HydrophobicContact CE1-CB 4.26Å; F186-E196 HydrophobicContact CE1-CG 3.52Å; F186-E196 VanDerWaalsContact CE1-OE1 3.31Å; F186-E196 WeakPolarHBondContact CE1-OE1 3.3Å; F186-E196 HydrophobicContact CZ-CG 4.11Å; F186-E196 WeakPolarHBondContact CZ-OE1 3.39Å |
| 197 | E | 92.8 | Very high | 88.9 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.5 | 177.1 | -67.3 | 169.6 | -122.2 | 0 | 0 | 108.8 | N184 K185 L241 | N184-E197 CarbonylContact C-O 3.58Å; N184-E197 WeakPolarHBondContact CA-O 3.29Å; K185-E197 HydrophobicContact CB-CB 4.36Å; K185-E197 PolarHBondContact N-O 2.8Å; K185-E197 IonicContact NZ-OE1 2.76Å; K185-E197 PolarHBondContact NZ-OE1 3.39Å; K185-E197 IonicContact NZ-OE2 2.61Å; K185-E197 PolarHBondContact O-N 3.03Å; E197-L241 HydrophobicContact CB-CD1 4.22Å |
| 198 | C | 93.8 | Very high | 89.1 | Confident | 82 Ų | 82 | 73 Ų | 73 | 55% | 0.554 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.9 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | I183 N184 | I183-C198 WeakPolarHBondContact O-CA 3.23Å; N184-C198 PolarHBondContact OD1-SG 3.22Å |
| 199 | V | 95.9 | Very high | 89.4 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.3 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | I183 Y201 L241 | I183-V199 HydrophobicContact CB-CG2 3.96Å; I183-V199 HydrophobicContact CD1-CG2 3.93Å; I183-V199 PolarHBondContact N-O 3.02Å; I183-V199 PolarHBondContact O-N 2.58Å; V199-Y201 HydrophobicContact CB-CE2 4.3Å; V199-Y201 HydrophobicContact CG2-CD2 4.27Å; V199-Y201 HydrophobicContact CG2-CE2 3.75Å; V199-L241 HydrophobicContact CG1-CB 4.42Å; V199-L241 HydrophobicContact CG1-CD1 4.18Å; V199-L241 HydrophobicContact CG2-CB 3.84Å; V199-L241 HydrophobicContact CG2-CD1 3.67Å; V199-L241 HydrophobicContact CG2-CG 4.37Å |
| 200 | S | 96.8 | Very high | 89.8 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.2 | 175.6 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | Q180 M181 | Q180-S200 PolarHBondContact OE1-OG 2.89Å; M181-S200 VanDerWaalsContact O-CA 3.28Å; M181-S200 WeakPolarHBondContact O-CA 3.37Å; M181-S200 PolarHBondContact O-OG 3.23Å |
| 201 | Y | 96.9 | Very high | 90.6 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.5 | 178.7 | -72.1 | -74.1 | 0 | 0 | 0 | 110.9 | Q180 M181 I183 V199 M203 L206 L237 L241 I243 | Q180-Y201 CarbonylContact C-O 3.54Å; Q180-Y201 VanDerWaalsContact CA-O 3.29Å; Q180-Y201 WeakPolarHBondContact CA-O 3.22Å; M181-Y201 PolarHBondContact N-O 2.83Å; M181-Y201 PolarHBondContact O-N 2.96Å; I183-Y201 HydrophobicContact CD1-CD2 4.08Å; I183-Y201 HydrophobicContact CD1-CE2 4.43Å; V199-Y201 HydrophobicContact CB-CE2 4.3Å; V199-Y201 HydrophobicContact CG2-CD2 4.27Å; V199-Y201 HydrophobicContact CG2-CE2 3.75Å; Y201-M203 PolarHBondContact O-N 2.91Å; Y201-L206 HydrophobicContact CG-CD1 4.46Å; Y201-L206 HydrophobicContact CG-CD2 4.23Å; Y201-L206 HydrophobicContact CG-CG 4.47Å; Y201-L237 HydrophobicContact CD2-CD2 4.44Å; Y201-L237 HydrophobicContact CE2-CD1 4.49Å; Y201-L237 HydrophobicContact CE2-CD2 4.09Å; Y201-L241 WeakPolarHBondContact CE2-O 3.47Å; Y201-L241 PolarHBondContact OH-O 2.98Å; Y201-I243 HydrophobicContact CD1-CD1 4.14Å; Y201-I243 HydrophobicContact CE1-CD1 4.09Å; Y201-I243 HydrophobicContact CE1-CG1 4.17Å |
| 202 | P | 96.7 | Very high | 91.7 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 133.9 | 167.3 | -19.7 | 31.8 | 0 | 0 | 0 | 110.6 | S204 V205 L206 | P202-S204 PolarHBondContact O-N 3.33Å; P202-V205 HydrophobicContact CB-CG2 4.24Å; P202-V205 HydrophobicContact CG-CG2 4.32Å; P202-V205 PolarHBondContact O-N 3.23Å; P202-L206 PolarHBondContact O-N 2.67Å |
| 203 | M | 94.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 53 Ų | 53 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.7 | 177.6 | -73.2 | -59.7 | -63.5 | 0 | 0 | 112.7 | E151 Q176 K179 M181 Y201 V205 L206 R207 | E151-M203 HydrophobicContact CG-CE 4.03Å; Q176-M203 HydrophobicContact CG-CE 4.21Å; Q176-M203 HydrophobicContact CG-SD 4.03Å; K179-M203 PolarHBondContact O-N 2.86Å; M181-M203 HydrophobicContact CB-SD 3.92Å; M181-M203 HydrophobicContact CE-CE 4.35Å; M181-M203 HydrophobicContact CE-SD 3.83Å; Y201-M203 PolarHBondContact O-N 2.91Å; M203-V205 VanDerWaalsContact C-N 3.28Å; M203-V205 PolarHBondContact O-N 2.85Å; M203-L206 PolarHBondContact O-N 2.9Å; M203-R207 PolarHBondContact O-N 2.85Å |
| 204 | S | 93.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 71% | 0.713 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.1 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | P202 | P202-S204 PolarHBondContact O-N 3.33Š|
| 205 | V | 94.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -32.2 | 177.1 | -178 | 0 | 0 | 0 | 0 | 110.2 | P202 M203 R207 I235 I243 | P202-V205 HydrophobicContact CB-CG2 4.24Å; P202-V205 HydrophobicContact CG-CG2 4.32Å; P202-V205 PolarHBondContact O-N 3.23Å; M203-V205 VanDerWaalsContact C-N 3.28Å; M203-V205 PolarHBondContact O-N 2.85Å; V205-R207 PolarHBondContact O-N 2.89Å; V205-I235 WeakPolarHBondContact O-CD1 3.35Å; V205-I243 HydrophobicContact CG1-CD1 3.5Å |
| 206 | L | 95.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -83.3 | 17.9 | 179.6 | -62 | -178.9 | 0 | 0 | 0 | 114.5 | M181 Y201 P202 M203 G208 L209 L237 I243 | M181-L206 HydrophobicContact CB-CD1 3.33Å; M181-L206 HydrophobicContact CG-CD1 3.8Å; Y201-L206 HydrophobicContact CG-CD1 4.46Å; Y201-L206 HydrophobicContact CG-CD2 4.23Å; Y201-L206 HydrophobicContact CG-CG 4.47Å; P202-L206 PolarHBondContact O-N 2.67Å; M203-L206 PolarHBondContact O-N 2.9Å; L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.15Å; L206-L209 HydrophobicContact CB-CB 4.23Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 HydrophobicContact CD2-CD2 4.4Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.41Å; L206-L209 PolarHBondContact O-N 2.88Å; L206-L237 HydrophobicContact CD2-CD2 4.24Å; L206-I243 HydrophobicContact CD2-CD1 4.21Å; L206-I243 HydrophobicContact CD2-CG1 4.44Å |
| 207 | R | 94.6 | Very high | 95.5 | Very high | 138 Ų | 138 | 35.7 Ų | 35.7 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 118.5 | 177.6 | -172.6 | 179.7 | 179.8 | -131.4 | -6.2 | 109.8 | A70 D72 V75 M203 V205 | A70-R207 WeakPolarHBondContact CB-O 3.44Å; D72-R207 IonicContact OD1-NH1 3.49Å; V75-R207 HydrophobicContact CG1-CG 4.26Å; V75-R207 VanDerWaalsContact CG1-NH2 3.34Å; V75-R207 HydrophobicContact CG2-CG 4.04Å; M203-R207 PolarHBondContact O-N 2.85Å; V205-R207 PolarHBondContact O-N 2.89Å |
| 208 | G | 95.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 33 Ų | 33 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 19.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L206 I235 | L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.15Å; G208-I235 PolarHBondContact O-N 2.81Å |
| 209 | L | 97.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 130.5 | 173.1 | 177.8 | 67.2 | 0 | 0 | 0 | 112 | V152 M174 L206 T211 I235 L237 | V152-L209 HydrophobicContact CG1-CD2 4.01Å; M174-L209 HydrophobicContact CE-CD2 4.33Å; M174-L209 HydrophobicContact SD-CD2 4.16Å; L206-L209 HydrophobicContact CB-CB 4.23Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 HydrophobicContact CD2-CD2 4.4Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.41Å; L206-L209 PolarHBondContact O-N 2.88Å; L209-T211 HydrophobicContact CD2-CG2 4.16Å; L209-T211 HydrophobicContact CG-CG2 4.22Å; L209-I235 WeakPolarHBondContact CA-O 3.33Å; L209-I235 HydrophobicContact CB-CD1 4.4Å; L209-I235 HydrophobicContact CB-CG1 4.11Å; L209-I235 HydrophobicContact CD1-CG1 4.32Å; L209-L237 HydrophobicContact CD1-CG 4.13Å |
| 210 | V | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | trans | -116.3 | 112.7 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 109 | S214 L218 F234 I235 I236 T246 | V210-S214 WeakPolarHBondContact CA-OG 3.5Å; V210-L218 HydrophobicContact CG1-CD2 4.31Å; V210-L218 HydrophobicContact CG2-CD2 3.79Å; V210-F234 HydrophobicContact CB-CB 4.37Å; V210-F234 HydrophobicContact CG2-CB 3.69Å; V210-F234 HydrophobicContact CG2-CD1 3.5Å; V210-F234 HydrophobicContact CG2-CE1 4.33Å; V210-F234 HydrophobicContact CG2-CG 3.74Å; V210-I235 PolarHBondContact N-O 3.21Å; V210-I236 WeakPolarHBondContact O-CG2 3.5Å; V210-T246 HydrophobicContact CB-CG2 4.32Å | ||
| 211 | T | 96.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | trans | -90.6 | 179.1 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | V152 E155 M174 L209 G213 S214 S215 | V152-T211 HydrophobicContact CB-CG2 4.08Å; V152-T211 HydrophobicContact CG1-CG2 3.76Å; V152-T211 HydrophobicContact CG2-CG2 4.28Å; E155-T211 WeakPolarHBondContact OE1-CB 3.2Å; E155-T211 WeakPolarHBondContact OE2-CB 3.46Å; E155-T211 PolarHBondContact OE2-OG1 2.87Å; M174-T211 HydrophobicContact CE-CG2 4.21Å; M174-T211 HydrophobicContact SD-CG2 3.81Å; L209-T211 HydrophobicContact CD2-CG2 4.16Å; L209-T211 HydrophobicContact CG-CG2 4.22Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 2.96Å; T211-S214 PolarHBondContact N-OG 3.03Å; T211-S214 PolarHBondContact OG1-N 3.26Å; T211-S214 PolarHBondContact OG1-OG 3.4Å; T211-S215 WeakPolarHBondContact O-CB 3.27Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.29Å | ||
| 212 | E | 94.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 24% | 0.238 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.4 | -77.5 | -55.7 | 117.1 | 0 | 0 | 111.3 | V142 Y157 S215 M216 R270 R295 | V142-E212 HydrophobicContact CG1-CB 4.41Å; V142-E212 HydrophobicContact CG2-CB 4.31Å; Y157-E212 HydrophobicContact CD2-CG 4.47Å; Y157-E212 HydrophobicContact CE2-CG 4.22Å; E212-S215 PolarHBondContact O-OG 3.43Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 3.02Å; E212-R270 IonicContact OE1-CZ 2.75Å; E212-R270 IonicContact OE1-NH1 3.79Å; E212-R270 PolarHBondContact OE1-NH1 2.73Å; E212-R270 IonicContact OE1-NH2 3.91Å; E212-R270 PolarHBondContact OE1-NH2 2.82Å; E212-R270 IonicContact OE2-NH1 2.68Å; E212-R295 IonicContact OE2-NH2 3.89Å |
| 213 | G | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -52.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E155 T211 S215 M216 | E155-G213 WeakPolarHBondContact OE2-CA 3.28Å; E155-G213 PolarHBondContact OE2-N 2.9Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 2.96Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 3.39Å; G213-M216 PolarHBondContact O-N 3.34Å |
| 214 | S | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -29.7 | -177.6 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | L150 V210 T211 M216 L217 L218 | L150-S214 WeakPolarHBondContact O-CB 3.47Å; V210-S214 WeakPolarHBondContact CA-OG 3.5Å; T211-S214 PolarHBondContact N-OG 3.03Å; T211-S214 PolarHBondContact OG1-N 3.26Å; T211-S214 PolarHBondContact OG1-OG 3.4Å; S214-M216 VanDerWaalsContact C-N 3.31Å; S214-M216 PolarHBondContact O-N 3.43Å; S214-L217 PolarHBondContact O-N 3.1Å; S214-L218 VanDerWaalsContact O-CB 3.25Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.67Å |
| 215 | S | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61 | -37.4 | 175.1 | 79 | 0 | 0 | 0 | 0 | 113.2 | T211 E212 G213 L218 M219 R270 | T211-S215 WeakPolarHBondContact O-CB 3.27Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.29Å; E212-S215 PolarHBondContact O-OG 3.43Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 3.39Å; S215-L218 PolarHBondContact O-N 3.42Å; S215-M219 WeakPolarHBondContact O-CE 3.2Å; S215-M219 WeakPolarHBondContact O-CG 3.16Å; S215-M219 PolarHBondContact O-N 2.61Å; S215-R270 PolarHBondContact OG-NH1 3.04Å |
| 216 | M | 95.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 10% | 0.099 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | -178.7 | -67.1 | -171.3 | -155.5 | 0 | 0 | 111.3 | F108 V110 L125 A127 E212 G213 S214 R220 | F108-M216 HydrophobicContact CZ-SD 4.27Å; V110-M216 HydrophobicContact CG2-SD 4.16Å; L125-M216 HydrophobicContact CD1-CB 3.88Å; L125-M216 HydrophobicContact CD2-SD 4.44Å; A127-M216 HydrophobicContact CB-CE 3.84Å; A127-M216 HydrophobicContact CB-SD 3.68Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 3.02Å; G213-M216 PolarHBondContact O-N 3.34Å; S214-M216 VanDerWaalsContact C-N 3.31Å; S214-M216 PolarHBondContact O-N 3.43Å; M216-R220 PolarHBondContact O-N 2.8Å |
| 217 | L | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.2 | -42.9 | 172.6 | -78.7 | -174.4 | 0 | 0 | 0 | 112.4 | C89 F91 V112 V123 L125 L146 L150 S214 M219 R220 L221 | C89-L217 HydrophobicContact CB-CD2 3.88Å; F91-L217 HydrophobicContact CE1-CD2 4.17Å; V112-L217 HydrophobicContact CG1-CD1 4.4Å; V112-L217 HydrophobicContact CG1-CD2 4.13Å; V112-L217 HydrophobicContact CG2-CD2 3.79Å; V123-L217 HydrophobicContact CG2-CD1 3.77Å; L125-L217 HydrophobicContact CD1-CD2 4.35Å; L125-L217 HydrophobicContact CD1-CG 3.83Å; L146-L217 HydrophobicContact CD1-CD1 3.69Å; L146-L217 HydrophobicContact CD1-CG 4.47Å; L150-L217 HydrophobicContact CD1-CB 4.12Å; L150-L217 HydrophobicContact CD2-CB 3.94Å; L150-L217 HydrophobicContact CD2-CD1 3.79Å; S214-L217 PolarHBondContact O-N 3.1Å; L217-M219 PolarHBondContact O-N 3.45Å; L217-R220 WeakPolarHBondContact O-CB 3.34Å; L217-R220 PolarHBondContact O-N 3.22Å; L217-R220 VanDerWaalsContact O-N 3.12Å; L217-L221 WeakPolarHBondContact O-CG 3.2Å; L217-L221 PolarHBondContact O-N 2.89Å |
| 218 | L | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | -179.4 | -178.9 | 58.9 | 0 | 0 | 0 | 111.6 | F77 L78 L150 V210 S214 S215 R220 L221 M222 F234 F248 | F77-L218 HydrophobicContact CD1-CD1 3.84Å; F77-L218 HydrophobicContact CE1-CD1 3.47Å; F77-L218 VanDerWaalsContact CE1-CD1 3.47Å; F77-L218 HydrophobicContact CZ-CD1 4.49Å; L78-L218 HydrophobicContact CD2-CD1 4.04Å; L150-L218 HydrophobicContact CD1-CB 3.9Å; L150-L218 HydrophobicContact CD1-CD1 4.24Å; V210-L218 HydrophobicContact CG1-CD2 4.31Å; V210-L218 HydrophobicContact CG2-CD2 3.79Å; S214-L218 VanDerWaalsContact O-CB 3.25Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.67Å; S215-L218 PolarHBondContact O-N 3.42Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.22Å; L218-L221 PolarHBondContact O-N 2.95Å; L218-M222 HydrophobicContact CD1-CE 3.87Å; L218-M222 HydrophobicContact CD2-CE 4.18Å; L218-M222 HydrophobicContact CG-CE 3.81Å; L218-M222 WeakPolarHBondContact O-CG 3.29Å; L218-M222 PolarHBondContact O-N 2.97Å; L218-F234 HydrophobicContact CD1-CZ 4.5Å; L218-F234 HydrophobicContact CD2-CD1 4.32Å; L218-F234 HydrophobicContact CD2-CE1 3.98Å; L218-F234 HydrophobicContact CD2-CE2 4.24Å; L218-F234 HydrophobicContact CD2-CZ 3.95Å; L218-F248 HydrophobicContact CD2-CE2 3.74Å; L218-F248 HydrophobicContact CD2-CZ 3.86Å |
| 219 | M | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 175.9 | -72.3 | -175.4 | -71.9 | 0 | 0 | 112 | S215 L217 M222 A223 F248 L268 R270 C284 F286 | S215-M219 WeakPolarHBondContact O-CE 3.2Å; S215-M219 WeakPolarHBondContact O-CG 3.16Å; S215-M219 PolarHBondContact O-N 2.61Å; L217-M219 PolarHBondContact O-N 3.45Å; M219-M222 PolarHBondContact O-N 2.79Å; M219-A223 WeakPolarHBondContact O-CB 3.44Å; M219-A223 PolarHBondContact O-N 2.73Å; M219-F248 HydrophobicContact CG-CD1 3.94Å; M219-F248 HydrophobicContact CG-CE1 3.49Å; M219-F248 VanDerWaalsContact CG-CE1 3.49Å; M219-F248 HydrophobicContact SD-CE1 4.1Å; M219-L268 HydrophobicContact CB-CD1 4.27Å; M219-L268 WeakPolarHBondContact O-CD1 3.28Å; M219-R270 HydrophobicContact SD-CB 4.24Å; M219-C284 HydrophobicContact SD-CB 4.42Å; M219-F286 HydrophobicContact CB-CE2 4.1Å; M219-F286 HydrophobicContact CB-CZ 3.82Å |
| 220 | R | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.7 | -177.4 | 171.6 | -65.8 | -123.7 | -5.7 | 112.2 | F91 E93 M216 L217 L218 A223 L224 F286 G290 | F91-R220 VanDerWaalsContact CD1-CZ 3.45Å; F91-R220 VanDerWaalsContact CD2-NH1 3.29Å; E93-R220 IonicContact OE1-NH2 3.64Å; E93-R220 PolarHBondContact OE1-NH2 2.86Å; E93-R220 IonicContact OE2-CZ 2.68Å; E93-R220 IonicContact OE2-NH1 3.58Å; E93-R220 IonicContact OE2-NH2 3.45Å; E93-R220 PolarHBondContact OE2-NH2 2.81Å; M216-R220 PolarHBondContact O-N 2.8Å; L217-R220 WeakPolarHBondContact O-CB 3.34Å; L217-R220 PolarHBondContact O-N 3.22Å; L217-R220 VanDerWaalsContact O-N 3.12Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.22Å; R220-A223 WeakPolarHBondContact O-CB 3.37Å; R220-A223 PolarHBondContact O-N 2.82Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 HydrophobicContact CG-CG 4.5Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 2.82Å; R220-F286 HydrophobicContact CB-CE1 4.25Å; R220-G290 PolarHBondContact NE-O 3.45Å; R220-G290 PolarHBondContact NH1-O 3.18Å; R220-G290 VanDerWaalsContact NH1-O 3.13Å; R220-G290 PolarHBondContact NH2-O 3.22Å |
| 221 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.6 | -72.4 | 169.1 | 0 | 0 | 0 | 111.4 | I81 E85 C89 L150 L217 L218 A223 L224 R225 | I81-L221 HydrophobicContact CD1-CD1 3.57Å; I81-L221 HydrophobicContact CG1-CD1 3.98Å; I81-L221 HydrophobicContact CG2-CD1 4.02Å; I81-L221 HydrophobicContact CG2-CD2 4.36Å; E85-L221 HydrophobicContact CB-CD2 3.99Å; C89-L221 VanDerWaalsContact SG-CD2 3.52Å; L150-L221 HydrophobicContact CD1-CD1 3.87Å; L150-L221 HydrophobicContact CG-CD1 4.44Å; L217-L221 WeakPolarHBondContact O-CG 3.2Å; L217-L221 PolarHBondContact O-N 2.89Å; L218-L221 PolarHBondContact O-N 2.95Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.45Å; L221-L224 PolarHBondContact O-N 2.86Å; L221-R225 WeakPolarHBondContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.48Å; L221-R225 PolarHBondContact O-N 2.85Å |
| 222 | M | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 173.4 | -69 | 176.2 | 180 | 0 | 0 | 111.8 | F77 L218 M219 R225 K226 K227 V228 F234 F248 L268 | F77-M222 HydrophobicContact CE1-CE 4.47Å; F77-M222 HydrophobicContact CE1-CG 4.43Å; F77-M222 HydrophobicContact CE2-CG 4.49Å; F77-M222 HydrophobicContact CZ-CG 3.85Å; L218-M222 HydrophobicContact CD1-CE 3.87Å; L218-M222 HydrophobicContact CD2-CE 4.18Å; L218-M222 HydrophobicContact CG-CE 3.81Å; L218-M222 WeakPolarHBondContact O-CG 3.29Å; L218-M222 PolarHBondContact O-N 2.97Å; M219-M222 PolarHBondContact O-N 2.79Å; M222-R225 PolarHBondContact O-N 2.9Å; M222-K226 PolarHBondContact O-N 2.82Å; M222-K227 PolarHBondContact O-N 3.39Å; M222-V228 HydrophobicContact SD-CG1 4.26Å; M222-F234 HydrophobicContact CE-CE2 4.14Å; M222-F234 HydrophobicContact CE-CZ 4.25Å; M222-F248 HydrophobicContact CE-CB 4.17Å; M222-F248 HydrophobicContact CE-CD2 3.93Å; M222-F248 HydrophobicContact CE-CG 3.99Å; M222-F248 HydrophobicContact SD-CB 3.93Å; M222-F248 HydrophobicContact SD-CD1 4.2Å; M222-F248 HydrophobicContact SD-CD2 4.5Å; M222-F248 HydrophobicContact SD-CG 3.96Å; M222-L268 HydrophobicContact CB-CD1 4.22Å; M222-L268 HydrophobicContact CB-CD2 4.12Å; M222-L268 HydrophobicContact SD-CD2 4.09Å |
| 223 | A | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M219 R220 L221 R225 K226 F266 L268 F286 | M219-A223 WeakPolarHBondContact O-CB 3.44Å; M219-A223 PolarHBondContact O-N 2.73Å; R220-A223 WeakPolarHBondContact O-CB 3.37Å; R220-A223 PolarHBondContact O-N 2.82Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.45Å; A223-R225 VanDerWaalsContact C-N 3.34Å; A223-K226 WeakPolarHBondContact O-CD 3.36Å; A223-K226 VanDerWaalsContact O-CE 3.28Å; A223-K226 WeakPolarHBondContact O-CE 3.44Å; A223-K226 PolarHBondContact O-N 2.89Å; A223-K226 VanDerWaalsContact O-N 3.15Å; A223-F266 HydrophobicContact CB-CD1 3.83Å; A223-F266 HydrophobicContact CB-CE1 4.33Å; A223-L268 HydrophobicContact CB-CD1 3.97Å; A223-F286 HydrophobicContact CB-CB 3.59Å; A223-F286 HydrophobicContact CB-CD1 4.16Å; A223-F286 HydrophobicContact CB-CD2 3.71Å; A223-F286 HydrophobicContact CB-CE2 4.39Å; A223-F286 HydrophobicContact CB-CG 3.56Å |
| 224 | L | 93.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 175 | -74.9 | 171.7 | 0 | 0 | 0 | 111.7 | K88 R220 L221 K226 | K88-L224 HydrophobicContact CB-CD1 3.96Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 HydrophobicContact CG-CG 4.5Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 2.82Å; L221-L224 PolarHBondContact O-N 2.86Å; L224-K226 PolarHBondContact O-N 2.86Å |
| 225 | R | 93.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 37.8 Ų | 37.8 | 26% | 0.26 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.2 | 173.7 | -71.4 | 178.2 | 174.4 | -166.8 | -7.4 | 113.1 | F77 S80 E85 L221 M222 A223 K227 | F77-R225 VanDerWaalsContact CE2-NH1 3.28Å; S80-R225 PolarHBondContact O-NH2 2.86Å; S80-R225 PolarHBondContact OG-NH1 2.76Å; E85-R225 VanDerWaalsContact OE1-CG 3.29Å; E85-R225 WeakPolarHBondContact OE1-CG 3.01Å; E85-R225 IonicContact OE1-CZ 3.85Å; E85-R225 IonicContact OE1-NE 3.65Å; E85-R225 PolarHBondContact OE1-NE 3.25Å; E85-R225 IonicContact OE1-NH2 2.7Å; E85-R225 IonicContact OE2-CZ 2.73Å; E85-R225 IonicContact OE2-NE 2.9Å; E85-R225 PolarHBondContact OE2-NE 3.29Å; E85-R225 IonicContact OE2-NH2 3.27Å; E85-R225 PolarHBondContact OE2-NH2 3.42Å; L221-R225 WeakPolarHBondContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.48Å; L221-R225 PolarHBondContact O-N 2.85Å; M222-R225 PolarHBondContact O-N 2.9Å; A223-R225 VanDerWaalsContact C-N 3.34Å; R225-K227 HydrophobicContact CB-CB 4.28Å; R225-K227 PolarHBondContact O-N 2.9Å; R225-K227 VanDerWaalsContact O-N 3.17Å |
| 226 | K | 91.3 | Very high | 92.3 | Very high | 92 Ų | 92 | 38 Ų | 38 | 40% | 0.4 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 40.4 | -170.2 | -59.7 | -68.6 | 172.8 | -169.9 | 0 | 111.5 | M222 A223 L224 F266 L287 | M222-K226 PolarHBondContact O-N 2.82Å; A223-K226 WeakPolarHBondContact O-CD 3.36Å; A223-K226 VanDerWaalsContact O-CE 3.28Å; A223-K226 WeakPolarHBondContact O-CE 3.44Å; A223-K226 PolarHBondContact O-N 2.89Å; A223-K226 VanDerWaalsContact O-N 3.15Å; L224-K226 PolarHBondContact O-N 2.86Å; K226-F266 HydrophobicContact CB-CE2 4.36Å; K226-F266 HydrophobicContact CD-CB 3.98Å; K226-F266 HydrophobicContact CD-CD2 3.68Å; K226-F266 HydrophobicContact CD-CE2 4.31Å; K226-F266 HydrophobicContact CD-CG 3.87Å; K226-F266 VanDerWaalsContact NZ-CB 3.26Å; K226-L287 PolarHBondContact NZ-O 3.38Å |
| 227 | K | 88.6 | Confident | 92.2 | Very high | 136 Ų | 136 | 38.5 Ų | 38.5 | 59% | 0.591 | 18% | 0.183 | S | C | * | . | trans | -150.8 | 114.6 | -173.7 | -174.7 | 179.6 | 179.4 | -175.3 | 0 | 109.3 | M222 R225 P229 | M222-K227 PolarHBondContact O-N 3.39Å; R225-K227 HydrophobicContact CB-CB 4.28Å; R225-K227 PolarHBondContact O-N 2.9Å; R225-K227 VanDerWaalsContact O-N 3.17Å; K227-P229 WeakPolarHBondContact O-CD 3.38Å | ||
| 228 | V | 89.2 | Confident | 92 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.085 | 19% | 0.188 | C | C | . | . | trans | -96.8 | 112.3 | 167 | -164.3 | 0 | 0 | 0 | 0 | 107.3 | M222 K230 F248 E250 F266 L268 | M222-V228 HydrophobicContact SD-CG1 4.26Å; V228-K230 PolarHBondContact O-N 2.8Å; V228-F248 HydrophobicContact CG1-CB 3.89Å; V228-E250 HydrophobicContact CB-CB 4.15Å; V228-E250 HydrophobicContact CG2-CB 3.72Å; V228-E250 HydrophobicContact CG2-CG 4.27Å; V228-F266 HydrophobicContact CG2-CE1 4.02Å; V228-F266 HydrophobicContact CG2-CZ 3.72Å; V228-L268 HydrophobicContact CB-CD2 4.36Å; V228-L268 HydrophobicContact CG1-CD2 4.07Å; V228-L268 HydrophobicContact CG2-CD2 3.38Å; V228-L268 HydrophobicContact CG2-CG 4.24Å | ||
| 229 | P | 79.6 | Confident | 91.4 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | trans | -65.4 | 137.3 | 179.6 | -17.6 | 30.6 | 0 | 0 | 0 | 111 | F77 K227 M232 | F77-P229 HydrophobicContact CD2-CG 3.53Å; F77-P229 HydrophobicContact CE2-CG 3.66Å; K227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-M232 HydrophobicContact CB-CE 3.13Å; P229-M232 HydrophobicContact CB-CG 3.93Å; P229-M232 HydrophobicContact CB-SD 3.41Å; P229-M232 WeakPolarHBondContact CB-SD 3.41Å; P229-M232 HydrophobicContact CG-CE 3.49Å; P229-M232 VanDerWaalsContact CG-CE 3.49Å; P229-M232 HydrophobicContact CG-SD 3.57Å; P229-M232 VanDerWaalsContact CG-SD 3.57Å | ||
| 230 | K | 85.1 | Confident | 91.1 | Very high | 179 Ų | 179 | 49.8 Ų | 49.8 | 78% | 0.778 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 146.3 | -179.7 | -61.9 | -176.2 | 179.2 | -175.7 | 0 | 110.5 | V228 M232 | V228-K230 PolarHBondContact O-N 2.8Å; K230-M232 PolarHBondContact O-N 3.33Å |
| 231 | N | 83.9 | Confident | 90.9 | Very high | 149 Ų | 149 | 50.1 Ų | 50.1 | 80% | 0.797 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 20.3 | 173.1 | -47.6 | -28.3 | 0 | 0 | 0 | 115.2 | ||
| 232 | M | 91 | Very high | 90.7 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | trans | -79.7 | 126.9 | 171.1 | -75.4 | -172.8 | -173.6 | 0 | 0 | 110.5 | E73 A74 F77 P229 K230 F234 | E73-M232 HydrophobicContact CB-CE 3.85Å; E73-M232 HydrophobicContact CB-CG 3.79Å; E73-M232 VanDerWaalsContact O-CE 3.25Å; E73-M232 WeakPolarHBondContact O-CE 3.46Å; A74-M232 HydrophobicContact CB-CB 4.21Å; A74-M232 HydrophobicContact CB-CG 4.38Å; F77-M232 HydrophobicContact CB-CE 3.68Å; F77-M232 HydrophobicContact CB-SD 3.68Å; F77-M232 HydrophobicContact CD2-CE 4.08Å; F77-M232 HydrophobicContact CD2-SD 4.21Å; F77-M232 HydrophobicContact CG-CE 4.27Å; F77-M232 HydrophobicContact CG-SD 4.09Å; P229-M232 HydrophobicContact CB-CE 3.13Å; P229-M232 HydrophobicContact CB-CG 3.93Å; P229-M232 HydrophobicContact CB-SD 3.41Å; P229-M232 WeakPolarHBondContact CB-SD 3.41Å; P229-M232 HydrophobicContact CG-CE 3.49Å; P229-M232 VanDerWaalsContact CG-CE 3.49Å; P229-M232 HydrophobicContact CG-SD 3.57Å; P229-M232 VanDerWaalsContact CG-SD 3.57Å; K230-M232 PolarHBondContact O-N 3.33Å; M232-F234 HydrophobicContact CB-CE2 3.87Å; M232-F234 HydrophobicContact CB-CZ 4.48Å; M232-F234 HydrophobicContact SD-CE2 4.43Å; M232-F234 HydrophobicContact SD-CZ 4.22Å | ||
| 233 | V | 94 | Very high | 90.6 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.3 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | A70 S71 A74 Q245 T247 | A70-V233 CarbonylContact C-O 3.58Å; A70-V233 WeakPolarHBondContact CA-O 3.09Å; S71-V233 PolarHBondContact N-O 2.9Å; S71-V233 PolarHBondContact OG-N 3.09Å; S71-V233 PolarHBondContact OG-O 2.86Å; S71-V233 VanDerWaalsContact OG-O 3.09Å; A74-V233 VanDerWaalsContact CB-O 3.24Å; A74-V233 WeakPolarHBondContact CB-O 3.46Å; V233-Q245 HydrophobicContact CG1-CB 3.84Å; V233-Q245 HydrophobicContact CG1-CG 3.54Å; V233-T247 HydrophobicContact CG2-CG2 4.16Å |
| 234 | F | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 161.3 | 171.3 | -62.5 | -95.6 | 0 | 0 | 0 | 108.9 | A74 L78 V210 L218 M222 M232 Q245 T246 F248 | A74-F234 HydrophobicContact CB-CD1 3.72Å; A74-F234 HydrophobicContact CB-CD2 4.14Å; A74-F234 HydrophobicContact CB-CE1 3.58Å; A74-F234 HydrophobicContact CB-CE2 4.01Å; A74-F234 HydrophobicContact CB-CG 3.99Å; A74-F234 HydrophobicContact CB-CZ 3.73Å; L78-F234 HydrophobicContact CD1-CD1 4.33Å; L78-F234 HydrophobicContact CD1-CE1 4.09Å; L78-F234 HydrophobicContact CD2-CE1 4.11Å; L78-F234 HydrophobicContact CG-CE1 3.95Å; V210-F234 HydrophobicContact CB-CB 4.37Å; V210-F234 HydrophobicContact CG2-CB 3.69Å; V210-F234 HydrophobicContact CG2-CD1 3.5Å; V210-F234 HydrophobicContact CG2-CE1 4.33Å; V210-F234 HydrophobicContact CG2-CG 3.74Å; L218-F234 HydrophobicContact CD1-CZ 4.5Å; L218-F234 HydrophobicContact CD2-CD1 4.32Å; L218-F234 HydrophobicContact CD2-CE1 3.98Å; L218-F234 HydrophobicContact CD2-CE2 4.24Å; L218-F234 HydrophobicContact CD2-CZ 3.95Å; M222-F234 HydrophobicContact CE-CE2 4.14Å; M222-F234 HydrophobicContact CE-CZ 4.25Å; M232-F234 HydrophobicContact CB-CE2 3.87Å; M232-F234 HydrophobicContact CB-CZ 4.48Å; M232-F234 HydrophobicContact SD-CE2 4.43Å; M232-F234 HydrophobicContact SD-CZ 4.22Å; F234-Q245 CarbonylContact O-C 3.51Å; F234-Q245 VanDerWaalsContact O-CA 3.3Å; F234-Q245 WeakPolarHBondContact O-CA 3.48Å; F234-T246 HydrophobicContact CB-CG2 3.72Å; F234-T246 PolarHBondContact N-O 3.38Å; F234-T246 PolarHBondContact O-N 2.77Å; F234-F248 AromaticContact CD2-CD2 3.84Å; F234-F248 HydrophobicContact CD2-CD2 3.84Å; F234-F248 AromaticContact CD2-CE2 3.73Å; F234-F248 HydrophobicContact CD2-CE2 3.73Å; F234-F248 AromaticContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CE2 4Å; F234-F248 HydrophobicContact CG-CE2 4.45Å |
| 235 | I | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 151.1 | 172.6 | 65 | -175 | 0 | 0 | 0 | 110.4 | A70 V205 G208 L209 V210 I243 N244 | A70-I235 HydrophobicContact CB-CG2 4.29Å; V205-I235 WeakPolarHBondContact O-CD1 3.35Å; G208-I235 PolarHBondContact O-N 2.81Å; L209-I235 WeakPolarHBondContact CA-O 3.33Å; L209-I235 HydrophobicContact CB-CD1 4.4Å; L209-I235 HydrophobicContact CB-CG1 4.11Å; L209-I235 HydrophobicContact CD1-CG1 4.32Å; V210-I235 PolarHBondContact N-O 3.21Å; I235-I243 HydrophobicContact CB-CG2 4.07Å; I235-I243 HydrophobicContact CG2-CG2 4.21Å; I235-N244 CarbonylContact C-O 3.52Å; I235-N244 VanDerWaalsContact CA-O 3.24Å; I235-N244 WeakPolarHBondContact CA-O 3.34Å |
| 236 | I | 95.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 169.7 | 174.7 | 62.6 | 174.4 | 0 | 0 | 0 | 108.2 | V210 I243 N244 T246 V272 | V210-I236 WeakPolarHBondContact O-CG2 3.5Å; I236-I243 WeakPolarHBondContact O-CA 3.32Å; I236-N244 HydrophobicContact CD1-CB 4.22Å; I236-N244 HydrophobicContact CG1-CB 3.83Å; I236-N244 PolarHBondContact N-O 3.2Å; I236-N244 PolarHBondContact O-N 3.2Å; I236-T246 HydrophobicContact CG2-CG2 3.33Å; I236-V272 HydrophobicContact CD1-CB 4.42Å; I236-V272 HydrophobicContact CD1-CG1 3.33Å |
| 237 | L | 93.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130 | 162 | -58.6 | 179.3 | 0 | 0 | 0 | 108.3 | M174 I183 Y201 L206 L209 H242 I243 | M174-L237 HydrophobicContact CE-CD1 3.6Å; I183-L237 HydrophobicContact CD1-CD1 3.19Å; I183-L237 HydrophobicContact CG1-CD1 4.45Å; Y201-L237 HydrophobicContact CD2-CD2 4.44Å; Y201-L237 HydrophobicContact CE2-CD1 4.49Å; Y201-L237 HydrophobicContact CE2-CD2 4.09Å; L206-L237 HydrophobicContact CD2-CD2 4.24Å; L209-L237 HydrophobicContact CD1-CG 4.13Å; L237-H242 WeakPolarHBondContact CA-O 3.38Å; L237-I243 HydrophobicContact CD2-CB 4.49Å; L237-I243 HydrophobicContact CD2-CG1 3.78Å |
| 238 | D | 89.3 | Confident | 91.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | trans | -76.6 | -175.1 | 177 | 72.2 | 17.1 | 0 | 0 | 0 | 111.9 | S240 L241 H242 N244 | D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact OD1-C 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.5Å; D238-S240 WeakPolarHBondContact OD1-CB 3.19Å; D238-S240 PolarHBondContact OD1-N 2.87Å; D238-L241 PolarHBondContact O-N 3.17Å; D238-L241 PolarHBondContact OD1-N 3.29Å; D238-L241 VanDerWaalsContact OD1-N 3.11Å; D238-H242 PolarHBondContact N-O 3.47Å; D238-H242 PolarHBondContact OD1-N 3.34Å; D238-H242 IonicContact OD1-ND1 3.52Å; D238-N244 HydrophobicContact CB-CB 4.42Å | ||
| 239 | Q | 84.8 | Confident | 91.3 | Very high | 157 Ų | 157 | 48.7 Ų | 48.7 | 73% | 0.734 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25 | -178.5 | -62.8 | -174.1 | 7.3 | 0 | 0 | 113.1 | K185 L241 | K185-Q239 WeakPolarHBondContact CE-O 3.33Å; K185-Q239 PolarHBondContact NZ-O 3.34Å; Q239-L241 VanDerWaalsContact C-N 3.28Å |
| 240 | S | 87.9 | Confident | 92 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 14.3 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | D238 H242 | D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact OD1-C 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.5Å; D238-S240 WeakPolarHBondContact OD1-CB 3.19Å; D238-S240 PolarHBondContact OD1-N 2.87Å; S240-H242 WeakPolarHBondContact CB-ND1 3.39Å; S240-H242 PolarHBondContact O-N 3.44Å; S240-H242 PolarHBondContact O-ND1 3.44Å |
| 241 | L | 91.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 63 | 15.8 | 179.6 | -49.1 | 179.4 | 0 | 0 | 0 | 114.6 | I183 K185 E197 V199 Y201 D238 Q239 | I183-L241 HydrophobicContact CG2-CD1 4.05Å; I183-L241 HydrophobicContact CG2-CD2 4.02Å; K185-L241 HydrophobicContact CB-CD1 4.02Å; K185-L241 HydrophobicContact CD-CD1 4.29Å; K185-L241 HydrophobicContact CD-CD2 4.16Å; K185-L241 HydrophobicContact CD-CG 4.21Å; E197-L241 HydrophobicContact CB-CD1 4.22Å; V199-L241 HydrophobicContact CG1-CB 4.42Å; V199-L241 HydrophobicContact CG1-CD1 4.18Å; V199-L241 HydrophobicContact CG2-CB 3.84Å; V199-L241 HydrophobicContact CG2-CD1 3.67Å; V199-L241 HydrophobicContact CG2-CG 4.37Å; Y201-L241 WeakPolarHBondContact CE2-O 3.47Å; Y201-L241 PolarHBondContact OH-O 2.98Å; D238-L241 PolarHBondContact O-N 3.17Å; D238-L241 PolarHBondContact OD1-N 3.29Å; D238-L241 VanDerWaalsContact OD1-N 3.11Å; Q239-L241 VanDerWaalsContact C-N 3.28Å |
| 242 | H | 90.7 | Very high | 92.5 | Very high | 109 Ų | 109 | 46 Ų | 46 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | trans | -81.7 | 148.9 | 174.1 | -59.1 | 108.6 | 0 | 0 | 0 | 111.1 | L237 D238 S240 N244 | L237-H242 WeakPolarHBondContact CA-O 3.38Å; D238-H242 PolarHBondContact N-O 3.47Å; D238-H242 PolarHBondContact OD1-N 3.34Å; D238-H242 IonicContact OD1-ND1 3.52Å; S240-H242 WeakPolarHBondContact CB-ND1 3.39Å; S240-H242 PolarHBondContact O-N 3.44Å; S240-H242 PolarHBondContact O-ND1 3.44Å; H242-N244 PolarHBondContact O-N 3.35Å | ||
| 243 | I | 93.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.138 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.1 | 175.8 | -57.3 | 178 | 0 | 0 | 0 | 109.1 | F68 Y201 V205 L206 I235 I236 L237 | F68-I243 HydrophobicContact CB-CB 4.49Å; F68-I243 HydrophobicContact CB-CG2 3.73Å; Y201-I243 HydrophobicContact CD1-CD1 4.14Å; Y201-I243 HydrophobicContact CE1-CD1 4.09Å; Y201-I243 HydrophobicContact CE1-CG1 4.17Å; V205-I243 HydrophobicContact CG1-CD1 3.5Å; L206-I243 HydrophobicContact CD2-CD1 4.21Å; L206-I243 HydrophobicContact CD2-CG1 4.44Å; I235-I243 HydrophobicContact CB-CG2 4.07Å; I235-I243 HydrophobicContact CG2-CG2 4.21Å; I236-I243 WeakPolarHBondContact O-CA 3.32Å; L237-I243 HydrophobicContact CD2-CB 4.49Å; L237-I243 HydrophobicContact CD2-CG1 3.78Å |
| 244 | N | 92.8 | Very high | 91.7 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -171.8 | 175.1 | -149.2 | -51.8 | 0 | 0 | 0 | 109.5 | I235 I236 D238 H242 G273 S274 A275 | I235-N244 CarbonylContact C-O 3.52Å; I235-N244 VanDerWaalsContact CA-O 3.24Å; I235-N244 WeakPolarHBondContact CA-O 3.34Å; I236-N244 HydrophobicContact CD1-CB 4.22Å; I236-N244 HydrophobicContact CG1-CB 3.83Å; I236-N244 PolarHBondContact N-O 3.2Å; I236-N244 PolarHBondContact O-N 3.2Å; D238-N244 HydrophobicContact CB-CB 4.42Å; H242-N244 PolarHBondContact O-N 3.35Å; N244-G273 WeakPolarHBondContact OD1-CA 3.37Å; N244-S274 WeakPolarHBondContact ND2-CA 3.39Å; N244-S274 PolarHBondContact ND2-N 2.79Å; N244-A275 PolarHBondContact ND2-N 2.97Å |
| 245 | Q | 93.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.5 | -176 | -73.2 | 174.4 | -11.2 | 0 | 0 | 112.9 | F68 V233 F234 G273 | F68-Q245 HydrophobicContact CD1-CG 3.88Å; V233-Q245 HydrophobicContact CG1-CB 3.84Å; V233-Q245 HydrophobicContact CG1-CG 3.54Å; F234-Q245 CarbonylContact O-C 3.51Å; F234-Q245 VanDerWaalsContact O-CA 3.3Å; F234-Q245 WeakPolarHBondContact O-CA 3.48Å; Q245-G273 WeakPolarHBondContact O-CA 3.46Å; Q245-G273 PolarHBondContact O-N 2.7Å |
| 246 | T | 94.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145 | 168 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | V210 F234 I236 F248 R270 M271 | V210-T246 HydrophobicContact CB-CG2 4.32Å; F234-T246 HydrophobicContact CB-CG2 3.72Å; F234-T246 PolarHBondContact N-O 3.38Å; F234-T246 PolarHBondContact O-N 2.77Å; I236-T246 HydrophobicContact CG2-CG2 3.33Å; T246-F248 HydrophobicContact CG2-CE2 4.1Å; T246-F248 HydrophobicContact CG2-CZ 4.5Å; T246-R270 WeakPolarHBondContact OG1-CG 3.4Å; T246-R270 PolarHBondContact OG1-NE 3.29Å; T246-M271 WeakPolarHBondContact CA-O 3.28Å; T246-M271 WeakPolarHBondContact CB-O 3.28Å; T246-M271 PolarHBondContact OG1-O 3.18Å |
| 247 | T | 95.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 31% | 0.307 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 158.9 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | V233 R270 M271 | V233-T247 HydrophobicContact CG2-CG2 4.16Å; T247-R270 WeakPolarHBondContact O-CA 3.3Å; T247-M271 PolarHBondContact N-O 3.24Å; T247-M271 PolarHBondContact O-N 2.9Å |
| 248 | F | 95.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.3 | 178.6 | -60.9 | -93.1 | 0 | 0 | 0 | 110.2 | L218 M219 M222 V228 F234 T246 E269 R270 | L218-F248 HydrophobicContact CD2-CE2 3.74Å; L218-F248 HydrophobicContact CD2-CZ 3.86Å; M219-F248 HydrophobicContact CG-CD1 3.94Å; M219-F248 HydrophobicContact CG-CE1 3.49Å; M219-F248 VanDerWaalsContact CG-CE1 3.49Å; M219-F248 HydrophobicContact SD-CE1 4.1Å; M222-F248 HydrophobicContact CE-CB 4.17Å; M222-F248 HydrophobicContact CE-CD2 3.93Å; M222-F248 HydrophobicContact CE-CG 3.99Å; M222-F248 HydrophobicContact SD-CB 3.93Å; M222-F248 HydrophobicContact SD-CD1 4.2Å; M222-F248 HydrophobicContact SD-CD2 4.5Å; M222-F248 HydrophobicContact SD-CG 3.96Å; V228-F248 HydrophobicContact CG1-CB 3.89Å; F234-F248 AromaticContact CD2-CD2 3.84Å; F234-F248 HydrophobicContact CD2-CD2 3.84Å; F234-F248 AromaticContact CD2-CE2 3.73Å; F234-F248 HydrophobicContact CD2-CE2 3.73Å; F234-F248 AromaticContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CE2 4Å; F234-F248 HydrophobicContact CG-CE2 4.45Å; T246-F248 HydrophobicContact CG2-CE2 4.1Å; T246-F248 HydrophobicContact CG2-CZ 4.5Å; F248-E269 CarbonylContact C-O 3.52Å; F248-E269 VanDerWaalsContact CA-O 3.24Å; F248-E269 WeakPolarHBondContact CA-O 3.46Å; F248-R270 HydrophobicContact CD1-CB 3.85Å; F248-R270 HydrophobicContact CD1-CG 4.06Å; F248-R270 HydrophobicContact CE1-CB 3.69Å; F248-R270 HydrophobicContact CE1-CG 3.53Å; F248-R270 HydrophobicContact CZ-CG 3.9Å |
| 249 | S | 94.8 | Very high | 89.2 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.6 | 178.1 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | E269 | S249-E269 PolarHBondContact N-O 3.49Å; S249-E269 PolarHBondContact O-N 2.88Å; S249-E269 WeakPolarHBondContact OG-CB 3.11Å; S249-E269 PolarHBondContact OG-OE1 3.44Å |
| 250 | E | 94.9 | Very high | 88.7 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.1 | 171.8 | -171 | 172.6 | 176.6 | 0 | 0 | 109.2 | V228 F266 | V228-E250 HydrophobicContact CB-CB 4.15Å; V228-E250 HydrophobicContact CG2-CB 3.72Å; V228-E250 HydrophobicContact CG2-CG 4.27Å; E250-F266 HydrophobicContact CG-CE2 4.17Å; E250-F266 HydrophobicContact CG-CZ 4.23Å |
| 251 | L | 93.3 | Very high | 88.5 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 155.3 | 169.2 | -67.5 | 172.2 | 0 | 0 | 0 | 109.8 | G267 L268 E269 H283 Y285 | L251-G267 PolarHBondContact N-O 3.35Å; L251-L268 WeakPolarHBondContact CD1-O 3.26Å; L251-E269 HydrophobicContact CD1-CB 4.12Å; L251-E269 HydrophobicContact CD2-CB 3.82Å; L251-E269 HydrophobicContact CG-CB 3.82Å; L251-H283 HydrophobicContact CD1-CB 3.94Å; L251-Y285 HydrophobicContact CD1-CE1 4.48Å |
| 252 | D | 84.5 | Confident | 88.4 | Confident | 148 Ų | 148 | 72.9 Ų | 72.9 | 79% | 0.791 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 147.3 | 177 | -70 | -40.5 | 0 | 0 | 0 | 112.1 | K254 | D252-K254 PolarHBondContact O-N 3Å |
| 253 | V | 79.3 | Confident | 88.4 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 129.3 | 173.6 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | E264 | V253-E264 HydrophobicContact CG1-CG 3.27Å |
| 254 | K | 89.1 | Confident | 88.4 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.3 | -177.3 | -174.4 | 177.5 | -174.8 | 173.8 | 0 | 109.9 | D252 M256 V265 Y285 | D252-K254 PolarHBondContact O-N 3Å; K254-M256 HydrophobicContact CD-CG 4.29Å; K254-M256 HydrophobicContact CD-SD 4.45Å; K254-M256 HydrophobicContact CG-CG 4.22Å; K254-V265 HydrophobicContact CB-CG2 3.93Å; K254-V265 HydrophobicContact CG-CG2 4.46Å; K254-V265 WeakPolarHBondContact O-CG2 3.34Å; K254-V265 PolarHBondContact O-N 2.86Å; K254-Y285 HydrophobicContact CB-CD1 4.2Å; K254-Y285 HydrophobicContact CB-CE1 3.82Å; K254-Y285 HydrophobicContact CD-CD1 4.01Å; K254-Y285 HydrophobicContact CD-CE1 3.42Å; K254-Y285 VanDerWaalsContact CD-CE1 3.42Å; K254-Y285 HydrophobicContact CD-CE2 4.3Å; K254-Y285 HydrophobicContact CG-CE1 4.29Å |
| 255 | E | 90.3 | Very high | 88.5 | Confident | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.7 | 167.9 | -69.1 | -173.4 | 166.2 | 0 | 0 | 109.9 | T262 V263 | E255-T262 HydrophobicContact CB-CG2 3.78Å; E255-T262 HydrophobicContact CG-CG2 4.2Å; E255-V263 WeakPolarHBondContact CA-O 3.22Å |
| 256 | M | 88.6 | Confident | 88.6 | Confident | 22 Ų | 22 | 72 Ų | 72 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.4 | -180 | -76.3 | -172.4 | 64.4 | 0 | 0 | 111.1 | K254 V258 T262 V263 V265 Y285 A293 S294 | K254-M256 HydrophobicContact CD-CG 4.29Å; K254-M256 HydrophobicContact CD-SD 4.45Å; K254-M256 HydrophobicContact CG-CG 4.22Å; M256-V258 HydrophobicContact CB-CG2 4.26Å; M256-V258 PolarHBondContact O-N 3.44Å; M256-T262 WeakPolarHBondContact O-CA 3.36Å; M256-V263 PolarHBondContact N-O 3.42Å; M256-V263 PolarHBondContact O-N 2.77Å; M256-V265 HydrophobicContact CB-CG1 4.13Å; M256-V265 HydrophobicContact CB-CG2 4.25Å; M256-V265 HydrophobicContact CG-CG1 4.42Å; M256-V265 HydrophobicContact CG-CG2 3.74Å; M256-V265 HydrophobicContact SD-CB 4.46Å; M256-V265 HydrophobicContact SD-CG1 4.22Å; M256-V265 HydrophobicContact SD-CG2 3.6Å; M256-V265 VanDerWaalsContact SD-CG2 3.6Å; M256-Y285 HydrophobicContact SD-CD2 4.49Å; M256-Y285 HydrophobicContact SD-CG 4.09Å; M256-A293 HydrophobicContact CE-CB 4.38Å; M256-S294 VanDerWaalsContact CE-CB 3.5Å |
| 257 | Q | 84.3 | Confident | 88.7 | Confident | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 111.4 | 169.8 | -73.6 | -68.4 | -3.3 | 0 | 0 | 109.5 | E261 T262 | Q257-E261 WeakPolarHBondContact CA-O 3.37Å; Q257-E261 PolarHBondContact OE1-O 3.45Å; Q257-T262 PolarHBondContact NE2-OG1 3.03Å |
| 258 | V | 80.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.5 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | M256 G260 E261 V263 L287 A293 F306 | M256-V258 HydrophobicContact CB-CG2 4.26Å; M256-V258 PolarHBondContact O-N 3.44Å; V258-G260 PolarHBondContact O-N 3.29Å; V258-E261 PolarHBondContact N-O 2.97Å; V258-E261 PolarHBondContact O-N 2.84Å; V258-E261 VanDerWaalsContact O-O 3.09Å; V258-V263 HydrophobicContact CB-CG2 3.68Å; V258-V263 HydrophobicContact CG2-CG2 3.61Å; V258-L287 HydrophobicContact CG1-CD1 4.28Å; V258-L287 HydrophobicContact CG1-CD2 4.28Å; V258-L287 HydrophobicContact CG2-CD2 4.25Å; V258-A293 HydrophobicContact CG2-CB 4.25Å; V258-F306 HydrophobicContact CG1-CD1 3.76Å; V258-F306 HydrophobicContact CG1-CE1 4.17Å |
| 259 | R | 74.4 | Confident | 88.7 | Confident | 154 Ų | 154 | 71 Ų | 71 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.2 | -177.2 | -57.1 | 176.5 | -178 | -163 | -0.9 | 114.9 | E261 F306 Q308 | R259-E261 PolarHBondContact O-N 3.29Å; R259-F306 HydrophobicContact CG-CE1 3.65Å; R259-F306 HydrophobicContact CG-CZ 4.37Å; R259-Q308 HydrophobicContact CB-CG 4.42Å; R259-Q308 HydrophobicContact CG-CB 4.49Å; R259-Q308 HydrophobicContact CG-CG 4.38Å; R259-Q308 PolarHBondContact O-OE1 3.33Å |
| 260 | G | 76.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 66% | 0.66 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 5.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V258 | V258-G260 PolarHBondContact O-N 3.29Š|
| 261 | E | 83.4 | Confident | 88.7 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.5 | 174.4 | -63.8 | -177.9 | 170.5 | 0 | 0 | 109.7 | Q257 V258 R259 V263 | Q257-E261 WeakPolarHBondContact CA-O 3.37Å; Q257-E261 PolarHBondContact OE1-O 3.45Å; V258-E261 PolarHBondContact N-O 2.97Å; V258-E261 PolarHBondContact O-N 2.84Å; V258-E261 VanDerWaalsContact O-O 3.09Å; R259-E261 PolarHBondContact O-N 3.29Å; E261-V263 HydrophobicContact CB-CG1 4.31Å; E261-V263 PolarHBondContact O-N 3.41Å |
| 262 | T | 89.3 | Confident | 88.6 | Confident | 80 Ų | 80 | 67 Ų | 67 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 114.5 | 168.4 | -54.6 | 0 | 0 | 0 | 0 | 108 | E255 M256 Q257 | E255-T262 HydrophobicContact CB-CG2 3.78Å; E255-T262 HydrophobicContact CG-CG2 4.2Å; M256-T262 WeakPolarHBondContact O-CA 3.36Å; Q257-T262 PolarHBondContact NE2-OG1 3.03Å |
| 263 | V | 90.6 | Very high | 88.6 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.5 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | E255 M256 V258 E261 V265 L287 | E255-V263 WeakPolarHBondContact CA-O 3.22Å; M256-V263 PolarHBondContact N-O 3.42Å; M256-V263 PolarHBondContact O-N 2.77Å; V258-V263 HydrophobicContact CB-CG2 3.68Å; V258-V263 HydrophobicContact CG2-CG2 3.61Å; E261-V263 HydrophobicContact CB-CG1 4.31Å; E261-V263 PolarHBondContact O-N 3.41Å; V263-V265 HydrophobicContact CG2-CG1 4.25Å; V263-L287 HydrophobicContact CG2-CD2 3.68Å |
| 264 | E | 93.3 | Very high | 88.5 | Confident | 138 Ų | 138 | 58.6 Ų | 58.6 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.7 | 169.7 | -167.1 | -179.8 | 105.2 | 0 | 0 | 109.4 | V253 | V253-E264 HydrophobicContact CG1-CG 3.27Å |
| 265 | V | 94.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.3 | 177.9 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | K254 M256 V263 Y285 F286 L287 A293 | K254-V265 HydrophobicContact CB-CG2 3.93Å; K254-V265 HydrophobicContact CG-CG2 4.46Å; K254-V265 WeakPolarHBondContact O-CG2 3.34Å; K254-V265 PolarHBondContact O-N 2.86Å; M256-V265 HydrophobicContact CB-CG1 4.13Å; M256-V265 HydrophobicContact CB-CG2 4.25Å; M256-V265 HydrophobicContact CG-CG1 4.42Å; M256-V265 HydrophobicContact CG-CG2 3.74Å; M256-V265 HydrophobicContact SD-CB 4.46Å; M256-V265 HydrophobicContact SD-CG1 4.22Å; M256-V265 HydrophobicContact SD-CG2 3.6Å; M256-V265 VanDerWaalsContact SD-CG2 3.6Å; V263-V265 HydrophobicContact CG2-CG1 4.25Å; V265-Y285 HydrophobicContact CB-CD1 4.5Å; V265-Y285 HydrophobicContact CG2-CD1 3.64Å; V265-Y285 HydrophobicContact CG2-CG 4.11Å; V265-F286 WeakPolarHBondContact CA-O 3.46Å; V265-L287 HydrophobicContact CG1-CD2 4.09Å; V265-A293 HydrophobicContact CG1-CB 3.94Å |
| 266 | F | 95.3 | Very high | 86.3 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120 | 174.1 | -177.6 | -96.2 | 0 | 0 | 0 | 109.9 | A223 K226 V228 E250 L268 Y285 F286 | A223-F266 HydrophobicContact CB-CD1 3.83Å; A223-F266 HydrophobicContact CB-CE1 4.33Å; K226-F266 HydrophobicContact CB-CE2 4.36Å; K226-F266 HydrophobicContact CD-CB 3.98Å; K226-F266 HydrophobicContact CD-CD2 3.68Å; K226-F266 HydrophobicContact CD-CE2 4.31Å; K226-F266 HydrophobicContact CD-CG 3.87Å; K226-F266 VanDerWaalsContact NZ-CB 3.26Å; V228-F266 HydrophobicContact CG2-CE1 4.02Å; V228-F266 HydrophobicContact CG2-CZ 3.72Å; E250-F266 HydrophobicContact CG-CE2 4.17Å; E250-F266 HydrophobicContact CG-CZ 4.23Å; F266-L268 HydrophobicContact CD1-CD1 4.06Å; F266-L268 HydrophobicContact CD1-CG 4.19Å; F266-L268 HydrophobicContact CE1-CD1 3.83Å; F266-L268 HydrophobicContact CE1-CD2 4.32Å; F266-L268 HydrophobicContact CE1-CG 3.76Å; F266-Y285 CarbonylContact O-C 3.46Å; F266-Y285 WeakPolarHBondContact O-CA 2.95Å; F266-F286 PolarHBondContact N-O 3.34Å; F266-F286 PolarHBondContact O-N 3.44Å |
| 267 | G | 95.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L251 C284 | L251-G267 PolarHBondContact N-O 3.35Å; G267-C284 CarbonylContact C-O 3.56Å; G267-C284 WeakPolarHBondContact CA-O 3.42Å |
| 268 | L | 95.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.3 | 177.2 | -86.7 | 151.8 | 0 | 0 | 0 | 109.2 | M219 M222 A223 V228 L251 F266 H283 C284 F286 | M219-L268 HydrophobicContact CB-CD1 4.27Å; M219-L268 WeakPolarHBondContact O-CD1 3.28Å; M222-L268 HydrophobicContact CB-CD1 4.22Å; M222-L268 HydrophobicContact CB-CD2 4.12Å; M222-L268 HydrophobicContact SD-CD2 4.09Å; A223-L268 HydrophobicContact CB-CD1 3.97Å; V228-L268 HydrophobicContact CB-CD2 4.36Å; V228-L268 HydrophobicContact CG1-CD2 4.07Å; V228-L268 HydrophobicContact CG2-CD2 3.38Å; V228-L268 HydrophobicContact CG2-CG 4.24Å; L251-L268 WeakPolarHBondContact CD1-O 3.26Å; F266-L268 HydrophobicContact CD1-CD1 4.06Å; F266-L268 HydrophobicContact CD1-CG 4.19Å; F266-L268 HydrophobicContact CE1-CD1 3.83Å; F266-L268 HydrophobicContact CE1-CD2 4.32Å; F266-L268 HydrophobicContact CE1-CG 3.76Å; L268-H283 WeakPolarHBondContact O-CA 3.29Å; L268-C284 PolarHBondContact N-O 2.95Å; L268-C284 PolarHBondContact O-N 3.18Å; L268-F286 HydrophobicContact CB-CE2 4.41Å; L268-F286 HydrophobicContact CD1-CD2 3.77Å; L268-F286 HydrophobicContact CD1-CE2 3.58Å |
| 269 | E | 95.8 | Very high | 84.2 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.5 | 167.6 | 171.3 | 177.9 | 90.3 | 0 | 0 | 109.2 | F248 S249 L251 T281 W282 H283 | F248-E269 CarbonylContact C-O 3.52Å; F248-E269 VanDerWaalsContact CA-O 3.24Å; F248-E269 WeakPolarHBondContact CA-O 3.46Å; S249-E269 PolarHBondContact N-O 3.49Å; S249-E269 PolarHBondContact O-N 2.88Å; S249-E269 WeakPolarHBondContact OG-CB 3.11Å; S249-E269 PolarHBondContact OG-OE1 3.44Å; L251-E269 HydrophobicContact CD1-CB 4.12Å; L251-E269 HydrophobicContact CD2-CB 3.82Å; L251-E269 HydrophobicContact CG-CB 3.82Å; E269-T281 HydrophobicContact CG-CG2 3.54Å; E269-T281 WeakPolarHBondContact OE2-CG2 3.41Å; E269-W282 CarbonylContact C-O 3.56Å; E269-W282 VanDerWaalsContact CA-O 3.27Å; E269-W282 WeakPolarHBondContact CA-O 3.34Å; E269-H283 IonicContact OE2-CD2 3.73Å; E269-H283 IonicContact OE2-CE1 3.98Å; E269-H283 IonicContact OE2-NE2 2.81Å; E269-H283 PolarHBondContact OE2-NE2 3.01Å |
| 270 | R | 95.7 | Very high | 85 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.7 | 168.8 | 178.3 | -175.2 | 176.8 | -151.3 | -7.3 | 107.8 | E212 S215 M219 T246 T247 F248 V272 T281 W282 | E212-R270 IonicContact OE1-CZ 2.75Å; E212-R270 IonicContact OE1-NH1 3.79Å; E212-R270 PolarHBondContact OE1-NH1 2.73Å; E212-R270 IonicContact OE1-NH2 3.91Å; E212-R270 PolarHBondContact OE1-NH2 2.82Å; E212-R270 IonicContact OE2-NH1 2.68Å; S215-R270 PolarHBondContact OG-NH1 3.04Å; M219-R270 HydrophobicContact SD-CB 4.24Å; T246-R270 WeakPolarHBondContact OG1-CG 3.4Å; T246-R270 PolarHBondContact OG1-NE 3.29Å; T247-R270 WeakPolarHBondContact O-CA 3.3Å; F248-R270 HydrophobicContact CD1-CB 3.85Å; F248-R270 HydrophobicContact CD1-CG 4.06Å; F248-R270 HydrophobicContact CE1-CB 3.69Å; F248-R270 HydrophobicContact CE1-CG 3.53Å; F248-R270 HydrophobicContact CZ-CG 3.9Å; R270-V272 HydrophobicContact CG-CG2 4.07Å; R270-T281 CarbonylContact O-C 3.51Å; R270-T281 WeakPolarHBondContact O-CA 3.36Å; R270-W282 HydrophobicContact CB-CB 4.38Å; R270-W282 PolarHBondContact N-O 2.9Å; R270-W282 PolarHBondContact O-N 3.49Å |
| 271 | M | 94 | Very high | 85.9 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.7 | 170.2 | -171.3 | -177.3 | -66.1 | 0 | 0 | 108.8 | T246 T247 H279 | T246-M271 WeakPolarHBondContact CA-O 3.28Å; T246-M271 WeakPolarHBondContact CB-O 3.28Å; T246-M271 PolarHBondContact OG1-O 3.18Å; T247-M271 PolarHBondContact N-O 3.24Å; T247-M271 PolarHBondContact O-N 2.9Å; M271-H279 HydrophobicContact CG-CB 3.97Å; M271-H279 HydrophobicContact SD-CB 4.39Å |
| 272 | V | 92 | Very high | 86.4 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.3 | -178.4 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | I236 R270 H279 S280 | I236-V272 HydrophobicContact CD1-CB 4.42Å; I236-V272 HydrophobicContact CD1-CG1 3.33Å; R270-V272 HydrophobicContact CG-CG2 4.07Å; V272-H279 VanDerWaalsContact O-CA 3.32Å; V272-H279 WeakPolarHBondContact O-CA 3.3Å; V272-S280 PolarHBondContact N-O 2.96Å; V272-S280 PolarHBondContact O-N 2.83Å |
| 273 | G | 84.3 | Confident | 86.8 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | trans | -69.7 | 154.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N244 Q245 | N244-G273 WeakPolarHBondContact OD1-CA 3.37Å; Q245-G273 WeakPolarHBondContact O-CA 3.46Å; Q245-G273 PolarHBondContact O-N 2.7Å | ||
| 274 | S | 76.9 | Confident | 87 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -136.9 | 154.1 | 172.1 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | N244 D276 A277 D278 | N244-S274 WeakPolarHBondContact ND2-CA 3.39Å; N244-S274 PolarHBondContact ND2-N 2.79Å; S274-D276 PolarHBondContact O-N 2.88Å; S274-A277 PolarHBondContact O-N 2.91Å; S274-D278 WeakPolarHBondContact CB-O 3.5Å | ||
| 275 | A | 68.2 | Low | 87.1 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 60% | 0.595 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N244 A277 | N244-A275 PolarHBondContact ND2-N 2.97Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3Å |
| 276 | D | 64.3 | Low | 87.1 | Confident | 138 Ų | 138 | 45.4 Ų | 45.4 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 18.3 | -176.2 | -63.4 | -37.6 | 0 | 0 | 0 | 114.2 | S274 D278 | S274-D276 PolarHBondContact O-N 2.88Å; D276-D278 PolarHBondContact O-N 2.61Å |
| 277 | A | 57.8 | Low | 87 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 72% | 0.719 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 63 | -5.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S274 A275 H279 | S274-A277 PolarHBondContact O-N 2.91Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3Å; A277-H279 PolarHBondContact O-N 2.81Å |
| 278 | D | 69.3 | Low | 86.7 | Confident | 129 Ų | 129 | 51.6 Ų | 51.6 | 69% | 0.69 | 30% | 0.298 | S | S | * | . | trans | -78.8 | 112.1 | 170.2 | -77.6 | -23 | 0 | 0 | 0 | 110.5 | S274 D276 | S274-D278 WeakPolarHBondContact CB-O 3.5Å; D276-D278 PolarHBondContact O-N 2.61Å | ||
| 279 | H | 82.1 | Confident | 86.3 | Confident | 108 Ų | 108 | 55.5 Ų | 55.5 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | trans | -93.8 | 141.2 | 175.9 | 56.1 | -82.8 | 0 | 0 | 0 | 110.7 | M271 V272 A277 T281 | M271-H279 HydrophobicContact CG-CB 3.97Å; M271-H279 HydrophobicContact SD-CB 4.39Å; V272-H279 VanDerWaalsContact O-CA 3.32Å; V272-H279 WeakPolarHBondContact O-CA 3.3Å; A277-H279 PolarHBondContact O-N 2.81Å; H279-T281 PolarHBondContact CD2-OG1 2.96Å | ||
| 280 | S | 90.6 | Very high | 86 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.8 | 169.5 | -75.7 | 0 | 0 | 0 | 0 | 110.1 | V272 | V272-S280 PolarHBondContact N-O 2.96Å; V272-S280 PolarHBondContact O-N 2.83Å |
| 281 | T | 94.9 | Very high | 85.7 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.3 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | E269 R270 H279 Q297 V298 | E269-T281 HydrophobicContact CG-CG2 3.54Å; E269-T281 WeakPolarHBondContact OE2-CG2 3.41Å; R270-T281 CarbonylContact O-C 3.51Å; R270-T281 WeakPolarHBondContact O-CA 3.36Å; H279-T281 PolarHBondContact CD2-OG1 2.96Å; T281-Q297 CarbonylContact O-C 3.6Å; T281-Q297 WeakPolarHBondContact O-CA 3.35Å; T281-V298 HydrophobicContact CG2-CB 4.49Å; T281-V298 HydrophobicContact CG2-CG2 3.75Å; T281-V298 PolarHBondContact O-N 2.91Å |
| 282 | W | 95.7 | Very high | 85.7 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.8 | 176.2 | -72.5 | 84.7 | 0 | 0 | 0 | 110.7 | E269 R270 R295 K296 Q297 | E269-W282 CarbonylContact C-O 3.56Å; E269-W282 VanDerWaalsContact CA-O 3.27Å; E269-W282 WeakPolarHBondContact CA-O 3.34Å; R270-W282 HydrophobicContact CB-CB 4.38Å; R270-W282 PolarHBondContact N-O 2.9Å; R270-W282 PolarHBondContact O-N 3.49Å; W282-R295 HydrophobicContact CE3-CG 3.73Å; W282-R295 VanDerWaalsContact CE3-NE 3.26Å; W282-R295 HydrophobicContact CZ3-CG 3.8Å; W282-K296 CarbonylContact C-O 3.41Å; W282-K296 WeakPolarHBondContact CA-O 3.33Å; W282-Q297 HydrophobicContact CD2-CB 4.03Å; W282-Q297 HydrophobicContact CD2-CG 4.42Å; W282-Q297 HydrophobicContact CE3-CB 4.02Å; W282-Q297 HydrophobicContact CH2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CG 4.27Å; W282-Q297 HydrophobicContact CZ3-CB 4Å |
| 283 | H | 96.4 | Very high | 85.7 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 20% | 0.199 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.3 | 171.1 | -65.9 | 172.8 | 0 | 0 | 0 | 109.6 | L251 L268 E269 Y285 R295 K296 | L251-H283 HydrophobicContact CD1-CB 3.94Å; L268-H283 WeakPolarHBondContact O-CA 3.29Å; E269-H283 IonicContact OE2-CD2 3.73Å; E269-H283 IonicContact OE2-CE1 3.98Å; E269-H283 IonicContact OE2-NE2 2.81Å; E269-H283 PolarHBondContact OE2-NE2 3.01Å; H283-Y285 HydrophobicContact CB-CE2 4.2Å; H283-R295 CarbonylContact O-C 3.55Å; H283-R295 WeakPolarHBondContact O-CA 3.45Å; H283-K296 PolarHBondContact N-O 2.68Å; H283-K296 PolarHBondContact O-N 3.25Å |
| 284 | C | 95.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.9 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | M219 G267 L268 F286 L292 S294 | M219-C284 HydrophobicContact SD-CB 4.42Å; G267-C284 CarbonylContact C-O 3.56Å; G267-C284 WeakPolarHBondContact CA-O 3.42Å; L268-C284 PolarHBondContact N-O 2.95Å; L268-C284 PolarHBondContact O-N 3.18Å; C284-F286 HydrophobicContact CB-CD2 4.34Å; C284-F286 HydrophobicContact CB-CE2 3.53Å; C284-F286 HydrophobicContact CB-CZ 4.04Å; C284-L292 HydrophobicContact CB-CD1 3.98Å; C284-S294 CarbonylContact C-O 3.6Å; C284-S294 WeakPolarHBondContact CA-O 3.35Å |
| 285 | Y | 95.5 | Very high | 87 | Confident | 28 Ų | 28 | 51 Ų | 51 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.1 | 177.7 | -66.5 | -88.1 | 0 | 0 | 0 | 109.4 | L251 K254 M256 V265 F266 H283 A293 S294 | L251-Y285 HydrophobicContact CD1-CE1 4.48Å; K254-Y285 HydrophobicContact CB-CD1 4.2Å; K254-Y285 HydrophobicContact CB-CE1 3.82Å; K254-Y285 HydrophobicContact CD-CD1 4.01Å; K254-Y285 HydrophobicContact CD-CE1 3.42Å; K254-Y285 VanDerWaalsContact CD-CE1 3.42Å; K254-Y285 HydrophobicContact CD-CE2 4.3Å; K254-Y285 HydrophobicContact CG-CE1 4.29Å; M256-Y285 HydrophobicContact SD-CD2 4.49Å; M256-Y285 HydrophobicContact SD-CG 4.09Å; V265-Y285 HydrophobicContact CB-CD1 4.5Å; V265-Y285 HydrophobicContact CG2-CD1 3.64Å; V265-Y285 HydrophobicContact CG2-CG 4.11Å; F266-Y285 CarbonylContact O-C 3.46Å; F266-Y285 WeakPolarHBondContact O-CA 2.95Å; H283-Y285 HydrophobicContact CB-CE2 4.2Å; Y285-A293 WeakPolarHBondContact O-CB 3.46Å; Y285-A293 PolarHBondContact O-N 2.86Å; Y285-S294 PolarHBondContact N-O 2.88Å; Y285-S294 PolarHBondContact O-N 3.11Å |
| 286 | F | 94.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.9 | -174 | -64.5 | -92.7 | 0 | 0 | 0 | 111.5 | M219 R220 A223 V265 F266 L268 C284 G290 Y291 L292 | M219-F286 HydrophobicContact CB-CE2 4.1Å; M219-F286 HydrophobicContact CB-CZ 3.82Å; R220-F286 HydrophobicContact CB-CE1 4.25Å; A223-F286 HydrophobicContact CB-CB 3.59Å; A223-F286 HydrophobicContact CB-CD1 4.16Å; A223-F286 HydrophobicContact CB-CD2 3.71Å; A223-F286 HydrophobicContact CB-CE2 4.39Å; A223-F286 HydrophobicContact CB-CG 3.56Å; V265-F286 WeakPolarHBondContact CA-O 3.46Å; F266-F286 PolarHBondContact N-O 3.34Å; F266-F286 PolarHBondContact O-N 3.44Å; L268-F286 HydrophobicContact CB-CE2 4.41Å; L268-F286 HydrophobicContact CD1-CD2 3.77Å; L268-F286 HydrophobicContact CD1-CE2 3.58Å; C284-F286 HydrophobicContact CB-CD2 4.34Å; C284-F286 HydrophobicContact CB-CE2 3.53Å; C284-F286 HydrophobicContact CB-CZ 4.04Å; F286-G290 WeakPolarHBondContact CD1-O 3.49Å; F286-Y291 CarbonylContact C-O 3.53Å; F286-Y291 VanDerWaalsContact CA-O 3.32Å; F286-Y291 WeakPolarHBondContact CA-O 3.15Å; F286-L292 HydrophobicContact CD1-CB 4.42Å; F286-L292 HydrophobicContact CD1-CD1 4.06Å; F286-L292 HydrophobicContact CE1-CB 4.31Å; F286-L292 HydrophobicContact CE1-CD1 3.68Å; F286-L292 HydrophobicContact CE2-CD1 4.16Å; F286-L292 HydrophobicContact CG-CD1 4.47Å; F286-L292 HydrophobicContact CZ-CD1 3.74Å |
| 287 | L | 92.1 | Very high | 89.7 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | trans | -69.8 | 168.6 | 170 | -65 | 174.9 | 0 | 0 | 0 | 111.1 | K226 V258 V263 V265 N289 G290 Y291 A293 | K226-L287 PolarHBondContact NZ-O 3.38Å; V258-L287 HydrophobicContact CG1-CD1 4.28Å; V258-L287 HydrophobicContact CG1-CD2 4.28Å; V258-L287 HydrophobicContact CG2-CD2 4.25Å; V263-L287 HydrophobicContact CG2-CD2 3.68Å; V265-L287 HydrophobicContact CG1-CD2 4.09Å; L287-N289 WeakPolarHBondContact CB-OD1 3.45Å; L287-N289 PolarHBondContact O-N 3.31Å; L287-G290 PolarHBondContact O-N 2.69Å; L287-G290 VanDerWaalsContact O-N 3.09Å; L287-Y291 PolarHBondContact N-O 3.41Å; L287-A293 HydrophobicContact CD2-CB 4.33Å; L287-A293 HydrophobicContact CG-CB 4.26Å | ||
| 288 | D | 89.2 | Confident | 91.4 | Very high | 130 Ų | 130 | 47 Ų | 47 | 70% | 0.695 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.7 | 175.6 | 64 | -18 | 0 | 0 | 0 | 113.1 | G290 | D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 3.13Å |
| 289 | N | 87.1 | Confident | 92.3 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.1 | 177 | 67.1 | 5.1 | 0 | 0 | 0 | 114.3 | L287 Y291 | L287-N289 WeakPolarHBondContact CB-OD1 3.45Å; L287-N289 PolarHBondContact O-N 3.31Å; N289-Y291 HydrophobicContact CB-CD2 4.42Å; N289-Y291 VanDerWaalsContact CG-CD2 3.49Å; N289-Y291 WeakPolarHBondContact ND2-CD2 3.49Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.45Å; N289-Y291 PolarHBondContact OD1-N 3.44Å; N289-Y291 VanDerWaalsContact OD1-N 3.13Å |
| 290 | G | 89.5 | Confident | 92.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 86.1 | -1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R220 F286 L287 D288 | R220-G290 PolarHBondContact NE-O 3.45Å; R220-G290 PolarHBondContact NH1-O 3.18Å; R220-G290 VanDerWaalsContact NH1-O 3.13Å; R220-G290 PolarHBondContact NH2-O 3.22Å; F286-G290 WeakPolarHBondContact CD1-O 3.49Å; L287-G290 PolarHBondContact O-N 2.69Å; L287-G290 VanDerWaalsContact O-N 3.09Å; D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 3.13Å |
| 291 | Y | 90.7 | Very high | 92.5 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | trans | -70 | 146.2 | 173.6 | -81.2 | -99.7 | 0 | 0 | 0 | 111.9 | E93 F286 L287 N289 A293 | E93-Y291 HydrophobicContact CB-CD1 3.84Å; E93-Y291 HydrophobicContact CB-CE1 4.07Å; E93-Y291 WeakPolarHBondContact OE2-CA 3.48Å; E93-Y291 VanDerWaalsContact OE2-CD1 3.32Å; E93-Y291 WeakPolarHBondContact OE2-CD1 3.03Å; F286-Y291 CarbonylContact C-O 3.53Å; F286-Y291 VanDerWaalsContact CA-O 3.32Å; F286-Y291 WeakPolarHBondContact CA-O 3.15Å; L287-Y291 PolarHBondContact N-O 3.41Å; N289-Y291 HydrophobicContact CB-CD2 4.42Å; N289-Y291 VanDerWaalsContact CG-CD2 3.49Å; N289-Y291 WeakPolarHBondContact ND2-CD2 3.49Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.45Å; N289-Y291 PolarHBondContact OD1-N 3.44Å; N289-Y291 VanDerWaalsContact OD1-N 3.13Å; Y291-A293 PolarHBondContact O-N 3.08Å | ||
| 292 | L | 93.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 119 | 178.6 | -171.6 | 68.3 | 0 | 0 | 0 | 110.2 | E93 L95 F108 C284 F286 S294 R295 | E93-L292 WeakPolarHBondContact OE1-CB 3.36Å; E93-L292 PolarHBondContact OE2-N 2.88Å; L95-L292 HydrophobicContact CD1-CB 4.29Å; L95-L292 HydrophobicContact CD1-CD2 4.3Å; L95-L292 HydrophobicContact CD2-CB 4.45Å; L95-L292 HydrophobicContact CD2-CD2 3.89Å; L95-L292 HydrophobicContact CD2-CG 3.94Å; F108-L292 HydrophobicContact CE1-CD2 3.91Å; C284-L292 HydrophobicContact CB-CD1 3.98Å; F286-L292 HydrophobicContact CD1-CB 4.42Å; F286-L292 HydrophobicContact CD1-CD1 4.06Å; F286-L292 HydrophobicContact CE1-CB 4.31Å; F286-L292 HydrophobicContact CE1-CD1 3.68Å; F286-L292 HydrophobicContact CE2-CD1 4.16Å; F286-L292 HydrophobicContact CG-CD1 4.47Å; F286-L292 HydrophobicContact CZ-CD1 3.74Å; L292-S294 WeakPolarHBondContact CD1-O 3.28Å; L292-R295 HydrophobicContact CD1-CB 4.44Å; L292-R295 HydrophobicContact CD2-CB 3.96Å |
| 293 | A | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M256 V258 V265 Y285 L287 Y291 F306 | M256-A293 HydrophobicContact CE-CB 4.38Å; V258-A293 HydrophobicContact CG2-CB 4.25Å; V265-A293 HydrophobicContact CG1-CB 3.94Å; Y285-A293 WeakPolarHBondContact O-CB 3.46Å; Y285-A293 PolarHBondContact O-N 2.86Å; L287-A293 HydrophobicContact CD2-CB 4.33Å; L287-A293 HydrophobicContact CG-CB 4.26Å; Y291-A293 PolarHBondContact O-N 3.08Å; A293-F306 PolarHBondContact O-N 3.12Å |
| 294 | S | 94.1 | Very high | 92 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 147.2 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | M256 C284 Y285 L292 M304 | M256-S294 VanDerWaalsContact CE-CB 3.5Å; C284-S294 CarbonylContact C-O 3.6Å; C284-S294 WeakPolarHBondContact CA-O 3.35Å; Y285-S294 PolarHBondContact N-O 2.88Å; Y285-S294 PolarHBondContact O-N 3.11Å; L292-S294 WeakPolarHBondContact CD1-O 3.28Å; S294-M304 CarbonylContact C-O 3.58Å; S294-M304 WeakPolarHBondContact CA-O 3.31Å; S294-M304 PolarHBondContact OG-O 3.23Å |
| 295 | R | 94.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134.8 | 170.9 | 171.7 | 174.4 | -177 | 160.4 | 1.2 | 110.3 | E212 W282 H283 L292 M304 | E212-R295 IonicContact OE2-NH2 3.89Å; W282-R295 HydrophobicContact CE3-CG 3.73Å; W282-R295 VanDerWaalsContact CE3-NE 3.26Å; W282-R295 HydrophobicContact CZ3-CG 3.8Å; H283-R295 CarbonylContact O-C 3.55Å; H283-R295 WeakPolarHBondContact O-CA 3.45Å; L292-R295 HydrophobicContact CD1-CB 4.44Å; L292-R295 HydrophobicContact CD2-CB 3.96Å; R295-M304 HydrophobicContact CB-CB 4.27Å; R295-M304 HydrophobicContact CB-SD 4.22Å; R295-M304 HydrophobicContact CG-SD 4.07Å; R295-M304 PolarHBondContact N-O 3.48Å; R295-M304 PolarHBondContact O-N 3.08Å |
| 296 | K | 94.1 | Very high | 91.2 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 30% | 0.296 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 136.2 | 179.4 | -178.7 | 173.9 | -177.6 | 173 | 0 | 110.4 | W282 H283 S300 T303 | W282-K296 CarbonylContact C-O 3.41Å; W282-K296 WeakPolarHBondContact CA-O 3.33Å; H283-K296 PolarHBondContact N-O 2.68Å; H283-K296 PolarHBondContact O-N 3.25Å; K296-S300 WeakPolarHBondContact CE-O 3.13Å; K296-T303 HydrophobicContact CB-CG2 4.08Å |
| 297 | Q | 94.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.1 | 161.5 | -174.4 | -180 | -3.3 | 0 | 0 | 109.1 | T281 W282 G299 S300 | T281-Q297 CarbonylContact O-C 3.6Å; T281-Q297 WeakPolarHBondContact O-CA 3.35Å; W282-Q297 HydrophobicContact CD2-CB 4.03Å; W282-Q297 HydrophobicContact CD2-CG 4.42Å; W282-Q297 HydrophobicContact CE3-CB 4.02Å; W282-Q297 HydrophobicContact CH2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CG 4.27Å; W282-Q297 HydrophobicContact CZ3-CB 4Å; Q297-G299 PolarHBondContact O-N 2.75Å; Q297-S300 VanDerWaalsContact O-CB 3.28Å; Q297-S300 WeakPolarHBondContact O-CB 3.44Å; Q297-S300 PolarHBondContact O-N 3.26Å |
| 298 | V | 92.6 | Very high | 88.4 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 132.3 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | T281 S300 | T281-V298 HydrophobicContact CG2-CB 4.49Å; T281-V298 HydrophobicContact CG2-CG2 3.75Å; T281-V298 PolarHBondContact O-N 2.91Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 2.98Å |
| 299 | G | 90.1 | Very high | 86.2 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 80% | 0.804 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -15 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q297 | Q297-G299 PolarHBondContact O-N 2.75Š|
| 300 | S | 88.4 | Confident | 83.8 | Confident | 32 Ų | 32 | 53 Ų | 53 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -78.8 | 139.3 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | K296 Q297 V298 V302 | K296-S300 WeakPolarHBondContact CE-O 3.13Å; Q297-S300 VanDerWaalsContact O-CB 3.28Å; Q297-S300 WeakPolarHBondContact O-CB 3.44Å; Q297-S300 PolarHBondContact O-N 3.26Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 2.98Å; S300-V302 PolarHBondContact O-N 3.16Å; S300-V302 PolarHBondContact OG-N 3.19Å | ||
| 301 | P | 87.8 | Confident | 81.1 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -76.3 | 2.8 | 174.2 | 32.7 | -35 | 0 | 0 | 0 | 112.9 | E100 | E100-P301 HydrophobicContact CG-CB 4.1Å; E100-P301 WeakPolarHBondContact CG-O 3.5Å; E100-P301 PolarHBondContact N-O 2.65Å |
| 302 | V | 90.3 | Very high | 78.5 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.5 | -175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | V97 M98 L105 I133 S300 | V97-V302 HydrophobicContact CB-CG1 4.49Å; V97-V302 HydrophobicContact CG1-CG1 3.14Å; M98-V302 CarbonylContact O-C 3.57Å; M98-V302 WeakPolarHBondContact O-CA 3.39Å; L105-V302 HydrophobicContact CD1-CG2 3.85Å; I133-V302 HydrophobicContact CD1-CG2 3.92Å; I133-V302 HydrophobicContact CG1-CG2 4.22Å; S300-V302 PolarHBondContact O-N 3.16Å; S300-V302 PolarHBondContact OG-N 3.19Å |
| 303 | T | 92.3 | Very high | 75.8 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 14% | 0.135 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 130.6 | 173.1 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | M98 K296 K305 | M98-T303 PolarHBondContact N-O 3.24Å; M98-T303 PolarHBondContact O-N 3.15Å; K296-T303 HydrophobicContact CB-CG2 4.08Å; T303-K305 HydrophobicContact CG2-CD 4.23Å; T303-K305 VanDerWaalsContact CG2-CE 3.45Å; T303-K305 HydrophobicContact CG2-CG 3.69Å |
| 304 | M | 93.9 | Very high | 73.1 | Confident | 22 Ų | 22 | 81 Ų | 81 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.5 | 170.4 | -61.5 | 155.9 | -176.3 | 0 | 0 | 107.9 | L95 M96 V97 F108 S294 R295 | L95-M304 HydrophobicContact CB-CB 4.31Å; L95-M304 HydrophobicContact CD2-CB 4.18Å; M96-M304 CarbonylContact O-C 3.55Å; M96-M304 WeakPolarHBondContact O-CA 3.39Å; V97-M304 HydrophobicContact CG2-CG 4.13Å; F108-M304 HydrophobicContact CB-CB 4.49Å; F108-M304 HydrophobicContact CB-CE 4.33Å; F108-M304 HydrophobicContact CB-CG 3.94Å; F108-M304 HydrophobicContact CB-SD 3.94Å; F108-M304 HydrophobicContact CD1-SD 4.02Å; F108-M304 HydrophobicContact CD2-CE 4.11Å; F108-M304 HydrophobicContact CD2-SD 3.97Å; F108-M304 HydrophobicContact CE2-SD 4.48Å; F108-M304 HydrophobicContact CG-CE 4.28Å; F108-M304 HydrophobicContact CG-CG 4.31Å; F108-M304 HydrophobicContact CG-SD 3.7Å; S294-M304 CarbonylContact C-O 3.58Å; S294-M304 WeakPolarHBondContact CA-O 3.31Å; S294-M304 PolarHBondContact OG-O 3.23Å; R295-M304 HydrophobicContact CB-CB 4.27Å; R295-M304 HydrophobicContact CB-SD 4.22Å; R295-M304 HydrophobicContact CG-SD 4.07Å; R295-M304 PolarHBondContact N-O 3.48Å; R295-M304 PolarHBondContact O-N 3.08Å |
| 305 | K | 91.3 | Very high | 70.3 | Confident | 79 Ų | 79 | 87.8 Ų | 87.8 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.8 | 175.7 | -59.1 | -164 | -170.3 | 165.8 | 0 | 111.3 | M96 M98 T303 I307 | M96-K305 PolarHBondContact N-O 2.87Å; M96-K305 PolarHBondContact O-N 3.43Å; M98-K305 HydrophobicContact CE-CB 3.91Å; M98-K305 HydrophobicContact CE-CD 3.51Å; M98-K305 HydrophobicContact CE-CG 3.75Å; T303-K305 HydrophobicContact CG2-CD 4.23Å; T303-K305 VanDerWaalsContact CG2-CE 3.45Å; T303-K305 HydrophobicContact CG2-CG 3.69Å; K305-I307 PolarHBondContact O-N 3.41Å |
| 306 | F | 83.7 | Confident | 67.6 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 21% | 0.206 | 49% | 0.489 | C | S | . | . | trans | -64.6 | 116.9 | 165.1 | -174.6 | -88.1 | 0 | 0 | 0 | 108.3 | L95 V258 R259 A293 | L95-F306 HydrophobicContact CG-CB 4.38Å; V258-F306 HydrophobicContact CG1-CD1 3.76Å; V258-F306 HydrophobicContact CG1-CE1 4.17Å; R259-F306 HydrophobicContact CG-CE1 3.65Å; R259-F306 HydrophobicContact CG-CZ 4.37Å; A293-F306 PolarHBondContact O-N 3.12Å | ||
| 307 | I | 67 | Low | 64.9 | Low | 59 Ų | 59 | 98.8 Ų | 98.8 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | trans | -109.3 | 129.8 | 170.2 | -52.5 | -176 | 0 | 0 | 0 | 105.8 | M96 M98 K305 E309 | M96-I307 HydrophobicContact CB-CD1 3.59Å; M96-I307 HydrophobicContact CB-CG1 4Å; M96-I307 HydrophobicContact CG-CB 4.15Å; M96-I307 HydrophobicContact CG-CD1 3.72Å; M96-I307 HydrophobicContact CG-CG1 3.98Å; M98-I307 HydrophobicContact CG-CD1 4.15Å; M98-I307 HydrophobicContact SD-CD1 3.48Å; M98-I307 WeakPolarHBondContact SD-CD1 3.38Å; M98-I307 HydrophobicContact SD-CG1 4.32Å; K305-I307 PolarHBondContact O-N 3.41Å; I307-E309 PolarHBondContact O-N 2.89Å | ||
| 308 | Q | 59.8 | Low | 62.4 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | trans | -51.3 | 134 | 170 | -172.1 | 173.2 | 5.7 | 0 | 0 | 109.6 | R259 L310 | R259-Q308 HydrophobicContact CB-CG 4.42Å; R259-Q308 HydrophobicContact CG-CB 4.49Å; R259-Q308 HydrophobicContact CG-CG 4.38Å; R259-Q308 PolarHBondContact O-OE1 3.33Å; Q308-L310 PolarHBondContact O-N 3.47Å | ||
| 309 | E | 43.4 | Very low | 59.7 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 56% | 0.561 | S | S | * | * | trans | -41.1 | 111.1 | 172.7 | -146.5 | 166.7 | -151.1 | 0 | 0 | 109.3 | I307 S311 | I307-E309 PolarHBondContact O-N 2.89Å; E309-S311 PolarHBondContact O-N 3.18Å | ||
| 310 | L | 35.8 | Very low | 57.6 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | trans | -64.6 | 83.2 | 169.7 | -78 | 166.8 | 0 | 0 | 0 | 106.3 | Q308 K312 | Q308-L310 PolarHBondContact O-N 3.47Å; L310-K312 PolarHBondContact O-N 3.45Å | ||
| 311 | S | 32.4 | Very low | 55.1 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 37.9 | 175.1 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | E309 | E309-S311 PolarHBondContact O-N 3.18Š|
| 312 | K | 37.3 | Very low | 53.1 | Low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.787 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 1 | 176.9 | -65.9 | -171.8 | 179.8 | 178.6 | 0 | 113.8 | L310 | L310-K312 PolarHBondContact O-N 3.45Š|
| 313 | Y | 35.9 | Very low | 50.3 | Low | 223 Ų | 223 | 127 Ų | 127 | 88% | 0.875 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -105.7 | 17 | 168.3 | -84.3 | -78.5 | 0 | 0 | 0 | 114.5 | ||
| 314 | Q | 37.1 | Very low | 47.9 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -113.8 | 80.9 | 166.7 | -71.8 | -171.2 | -19.9 | 0 | 0 | 110 | H316 | Q314-H316 PolarHBondContact O-N 2.79Š| ||
| 315 | N | 35.3 | Very low | 45 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | trans | -70.4 | 113.1 | 158.6 | -85.7 | -31.9 | 0 | 0 | 0 | 108.7 | ||||
| 316 | H | 36.8 | Very low | 42.9 | Very low | 165 Ų | 165 | 149 Ų | 149 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 48.6 | 94.6 | 155 | -66.8 | -45.3 | 0 | 0 | 0 | 119 | Q314 | Q314-H316 PolarHBondContact O-N 2.79Š|
| 317 | N | 38.5 | Very low | 41.7 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 132.4 | 85.4 | 132.9 | -72.3 | -30.5 | 0 | 0 | 0 | 110.3 | ||||
| 318 | Q | 40.1 | Very low | 41 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -153.6 | 111 | 138.1 | -109 | 153.7 | 77.5 | 0 | 0 | 110.3 | ||||
| 319 | Q | 37.5 | Very low | 40.7 | Very low | 186 Ų | 186 | 156.3 Ų | 156.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 133.7 | 178.7 | -140.7 | 156.1 | -15.9 | 0 | 0 | 108.9 | Q321 | Q319-Q321 PolarHBondContact O-N 3.36Š| ||
| 320 | K | 46.3 | Very low | 42 | Very low | 205 Ų | 205 | 152.8 Ų | 152.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 0.2 | 104.3 | 156.5 | -71.2 | 176.8 | 173.6 | 179.3 | 0 | 115 | ||||
| 321 | Q | 34.7 | Very low | 43.9 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -137.6 | 123.1 | 142.4 | -70.5 | -158.4 | 18.3 | 0 | 0 | 108.7 | Q319 G323 | Q319-Q321 PolarHBondContact O-N 3.36Å; Q321-G323 PolarHBondContact O-N 2.93Å | ||
| 322 | G | 45.3 | Very low | 45.7 | Very low | 91 Ų | 91 | 151.4 Ų | 151.4 | 94% | 0.938 | 75% | 0.75 | S | S | * | * | trans | -62.3 | 117.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 323 | G | 33.3 | Very low | 46.6 | Very low | 63 Ų | 63 | 148.8 Ų | 148.8 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | 178.2 | 112.7 | -178 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q321 M325 | Q321-G323 PolarHBondContact O-N 2.93Å; G323-M325 PolarHBondContact O-N 3.43Å | ||
| 324 | R | 39.9 | Very low | 48.6 | Very low | 223 Ų | 223 | 141.4 Ų | 141.4 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | 6 | 109.2 | 162 | -154.9 | 173.6 | -175.5 | 174.7 | -0.6 | 113.3 | K326 | R324-K326 PolarHBondContact O-N 2.93Š| ||
| 325 | M | 34.8 | Very low | 50.2 | Low | 160 Ų | 160 | 140.4 Ų | 140.4 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | trans | -47 | 111.4 | 171.7 | -79.8 | 175.2 | 129.6 | 0 | 0 | 108.1 | G323 I327 | G323-M325 PolarHBondContact O-N 3.43Å; M325-I327 PolarHBondContact O-N 3.49Å | ||
| 326 | K | 46.7 | Very low | 51.9 | Low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | -77.1 | 107.4 | 175.5 | -72.2 | -175.1 | 179.7 | -178.9 | 0 | 106.6 | R324 | R324-K326 PolarHBondContact O-N 2.93Š| ||
| 327 | I | 58.8 | Low | 53.8 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 68% | 0.677 | 69% | 0.686 | S | S | * | * | trans | -59.3 | 133.6 | 172.6 | -57.7 | 161.6 | 0 | 0 | 0 | 107.8 | M325 L329 | M325-I327 PolarHBondContact O-N 3.49Å; I327-L329 PolarHBondContact O-N 2.89Å | ||
| 328 | P | 51.8 | Low | 55.5 | Low | 106 Ų | 106 | 133.3 Ų | 133.3 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | trans | -62 | 119.3 | 168.4 | -18.3 | 31.1 | 0 | 0 | 0 | 109.6 | V330 | P328-V330 PolarHBondContact O-N 2.9Š| ||
| 329 | L | 53.8 | Low | 57.4 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | trans | -72.1 | 95.9 | 178.3 | -166.6 | 94.9 | 0 | 0 | 0 | 109.5 | I327 W331 L337 | I327-L329 PolarHBondContact O-N 2.89Å; L329-W331 HydrophobicContact CD2-CB 3.97Å; L329-W331 HydrophobicContact CG-CB 4.38Å; L329-W331 PolarHBondContact O-N 2.8Å; L329-L337 HydrophobicContact CD1-CD1 3.81Å; L329-L337 HydrophobicContact CD2-CD1 4.37Å; L329-L337 HydrophobicContact CG-CD1 4.05Å | ||
| 330 | V | 70.1 | Confident | 59.6 | Low | 69 Ų | 69 | 123.2 Ų | 123.2 | 42% | 0.418 | 63% | 0.632 | S | S | . | * | trans | -83.4 | 68.1 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | P328 Q332 E333 | P328-V330 PolarHBondContact O-N 2.9Å; V330-Q332 PolarHBondContact O-N 3.4Å; V330-Q332 VanDerWaalsContact O-N 3.1Å; V330-E333 HydrophobicContact CG1-CG 4.17Å; V330-E333 PolarHBondContact O-N 2.86Å | ||
| 331 | W | 76.7 | Confident | 61.6 | Low | 75 Ų | 75 | 118 Ų | 118 | 28% | 0.284 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -13.3 | -174.8 | 58.9 | -92.1 | 0 | 0 | 0 | 114.4 | L329 E333 L337 Y338 Y341 | L329-W331 HydrophobicContact CD2-CB 3.97Å; L329-W331 HydrophobicContact CG-CB 4.38Å; L329-W331 PolarHBondContact O-N 2.8Å; W331-E333 VanDerWaalsContact C-N 3.32Å; W331-L337 HydrophobicContact CB-CB 4.05Å; W331-L337 HydrophobicContact CB-CD1 4.44Å; W331-Y338 HydrophobicContact CE3-CD2 4.33Å; W331-Y338 HydrophobicContact CZ3-CD2 4.16Å; W331-Y338 HydrophobicContact CZ3-CE2 4.38Å; W331-Y338 PolarHBondContact O-N 2.74Å; W331-Y341 AromaticContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD2 4.01Å; W331-Y341 AromaticContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CH2-CD1 4.05Å; W331-Y341 AromaticContact CH2-CD2 3.94Å; W331-Y341 HydrophobicContact CH2-CD2 3.94Å; W331-Y341 AromaticContact CH2-CE1 3.76Å; W331-Y341 HydrophobicContact CH2-CE1 3.76Å; W331-Y341 AromaticContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CG 4.12Å; W331-Y341 AromaticContact CH2-CZ 3.54Å; W331-Y341 HydrophobicContact CZ2-CD2 4.49Å; W331-Y341 HydrophobicContact CZ2-CE2 4.26Å; W331-Y341 AromaticContact CZ3-CD1 3.32Å; W331-Y341 HydrophobicContact CZ3-CD1 3.32Å; W331-Y341 AromaticContact CZ3-CD2 3.69Å; W331-Y341 HydrophobicContact CZ3-CD2 3.69Å; W331-Y341 AromaticContact CZ3-CE1 3.47Å; W331-Y341 HydrophobicContact CZ3-CE1 3.47Å; W331-Y341 VanDerWaalsContact CZ3-CE1 3.47Å; W331-Y341 AromaticContact CZ3-CE2 3.84Å; W331-Y341 HydrophobicContact CZ3-CE2 3.84Å; W331-Y341 AromaticContact CZ3-CG 3.42Å; W331-Y341 HydrophobicContact CZ3-CG 3.42Å; W331-Y341 VanDerWaalsContact CZ3-CG 3.42Å; W331-Y341 AromaticContact CZ3-CZ 3.73Å |
| 332 | Q | 69.3 | Low | 64 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -22.2 | -177.4 | -68.1 | 142.6 | -35.9 | 0 | 0 | 113.1 | V330 | V330-Q332 PolarHBondContact O-N 3.4Å; V330-Q332 VanDerWaalsContact O-N 3.1Å |
| 333 | E | 56.3 | Low | 66.2 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -16.9 | -174 | -60.1 | 178.9 | 164.1 | 0 | 0 | 112.7 | R128 V330 W331 | R128-E333 IonicContact CZ-OE2 3.61Å; R128-E333 VanDerWaalsContact CZ-OE2 3.27Å; R128-E333 IonicContact NH1-OE2 3.66Å; R128-E333 PolarHBondContact NH1-OE2 3.3Å; R128-E333 IonicContact NH2-OE1 2.78Å; R128-E333 IonicContact NH2-OE2 3Å; R128-E333 PolarHBondContact NH2-OE2 3.5Å; V330-E333 HydrophobicContact CG1-CG 4.17Å; V330-E333 PolarHBondContact O-N 2.86Å; W331-E333 VanDerWaalsContact C-N 3.32Å |
| 334 | D | 78.4 | Confident | 68.9 | Low | 68 Ų | 68 | 114.9 Ų | 114.9 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | trans | -82.9 | 116.8 | 174.5 | 178.1 | -50 | 0 | 0 | 0 | 109.3 | Q336 L337 Y338 | D334-Q336 VanDerWaalsContact C-N 3.29Å; D334-Q336 PolarHBondContact O-N 3Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.25Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.37Å; D334-Q336 PolarHBondContact OD1-N 3.12Å; D334-L337 HydrophobicContact CB-CB 3.97Å; D334-L337 HydrophobicContact CB-CD1 3.95Å; D334-L337 HydrophobicContact CB-CG 4.16Å; D334-L337 PolarHBondContact O-N 2.88Å; D334-L337 PolarHBondContact OD1-N 2.65Å; D334-Y338 WeakPolarHBondContact O-CB 3.17Å; D334-Y338 PolarHBondContact O-N 3.1Å | ||
| 335 | M | 70.6 | Confident | 71.4 | Confident | 158 Ų | 158 | 107 Ų | 107 | 78% | 0.778 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -35.7 | -175 | -171.4 | -178.4 | 68.5 | 0 | 0 | 113.2 | S339 | M335-S339 VanDerWaalsContact O-CB 3.28Å; M335-S339 WeakPolarHBondContact O-CB 3.38Å; M335-S339 PolarHBondContact O-N 3Å |
| 336 | Q | 71.1 | Confident | 74.1 | Confident | 150 Ų | 150 | 103.4 Ų | 103.4 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.8 | -45 | -179.8 | -65.5 | -175.5 | -6.3 | 0 | 0 | 110.9 | D334 S339 L340 | D334-Q336 VanDerWaalsContact C-N 3.29Å; D334-Q336 PolarHBondContact O-N 3Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.25Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.37Å; D334-Q336 PolarHBondContact OD1-N 3.12Å; Q336-S339 PolarHBondContact O-N 2.81Å; Q336-L340 WeakPolarHBondContact O-CB 3.44Å; Q336-L340 PolarHBondContact O-N 2.77Å |
| 337 | L | 75.6 | Confident | 76.3 | Confident | 56 Ų | 56 | 99.1 Ų | 99.1 | 29% | 0.293 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 177 | -67 | 176 | 0 | 0 | 0 | 112.1 | L329 W331 D334 L340 Y341 | L329-L337 HydrophobicContact CD1-CD1 3.81Å; L329-L337 HydrophobicContact CD2-CD1 4.37Å; L329-L337 HydrophobicContact CG-CD1 4.05Å; W331-L337 HydrophobicContact CB-CB 4.05Å; W331-L337 HydrophobicContact CB-CD1 4.44Å; D334-L337 HydrophobicContact CB-CB 3.97Å; D334-L337 HydrophobicContact CB-CD1 3.95Å; D334-L337 HydrophobicContact CB-CG 4.16Å; D334-L337 PolarHBondContact O-N 2.88Å; D334-L337 PolarHBondContact OD1-N 2.65Å; L337-L340 PolarHBondContact O-N 2.78Å; L337-Y341 VanDerWaalsContact O-CB 3.28Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 PolarHBondContact O-N 2.81Å |
| 338 | Y | 74.8 | Confident | 77.8 | Confident | 105 Ų | 105 | 97 Ų | 97 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.1 | -172.3 | -112 | 0 | 0 | 0 | 110.9 | W331 D334 Y341 L342 | W331-Y338 HydrophobicContact CE3-CD2 4.33Å; W331-Y338 HydrophobicContact CZ3-CD2 4.16Å; W331-Y338 HydrophobicContact CZ3-CE2 4.38Å; W331-Y338 PolarHBondContact O-N 2.74Å; D334-Y338 WeakPolarHBondContact O-CB 3.17Å; D334-Y338 PolarHBondContact O-N 3.1Å; Y338-Y341 HydrophobicContact CD2-CD1 4.36Å; Y338-Y341 HydrophobicContact CE2-CD1 4.36Å; Y338-Y341 WeakPolarHBondContact O-CB 3.2Å; Y338-Y341 PolarHBondContact O-N 2.89Å; Y338-L342 HydrophobicContact CD1-CD1 3.96Å; Y338-L342 HydrophobicContact CD1-CG 4.39Å; Y338-L342 HydrophobicContact CE1-CD1 3.63Å; Y338-L342 HydrophobicContact CE1-CD2 4.49Å; Y338-L342 HydrophobicContact CE1-CG 4.14Å; Y338-L342 WeakPolarHBondContact O-CG 3.41Å; Y338-L342 PolarHBondContact O-N 2.75Å |
| 339 | S | 80.5 | Confident | 79.7 | Confident | 62 Ų | 62 | 97.6 Ų | 97.6 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | M335 Q336 Y341 L342 D343 | M335-S339 VanDerWaalsContact O-CB 3.28Å; M335-S339 WeakPolarHBondContact O-CB 3.38Å; M335-S339 PolarHBondContact O-N 3Å; Q336-S339 PolarHBondContact O-N 2.81Å; S339-Y341 VanDerWaalsContact C-N 3.3Å; S339-Y341 PolarHBondContact O-N 2.84Å; S339-L342 PolarHBondContact O-N 2.71Å; S339-L342 VanDerWaalsContact O-N 3.12Å; S339-D343 PolarHBondContact O-N 2.78Å |
| 340 | L | 83.3 | Confident | 81.5 | Confident | 114 Ų | 114 | 94.6 Ų | 94.6 | 60% | 0.597 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 176.7 | -175.7 | 67.2 | 0 | 0 | 0 | 112.5 | Q336 L337 K344 | Q336-L340 WeakPolarHBondContact O-CB 3.44Å; Q336-L340 PolarHBondContact O-N 2.77Å; L337-L340 PolarHBondContact O-N 2.78Å; L340-K344 WeakPolarHBondContact O-CB 3.32Å; L340-K344 PolarHBondContact O-N 3.4Å |
| 341 | Y | 87.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 38% | 0.376 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.1 | 164.1 | -96.5 | 0 | 0 | 0 | 111.4 | W331 L337 Y338 S339 D343 K344 K345 | W331-Y341 AromaticContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD2 4.01Å; W331-Y341 AromaticContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CH2-CD1 4.05Å; W331-Y341 AromaticContact CH2-CD2 3.94Å; W331-Y341 HydrophobicContact CH2-CD2 3.94Å; W331-Y341 AromaticContact CH2-CE1 3.76Å; W331-Y341 HydrophobicContact CH2-CE1 3.76Å; W331-Y341 AromaticContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CG 4.12Å; W331-Y341 AromaticContact CH2-CZ 3.54Å; W331-Y341 HydrophobicContact CZ2-CD2 4.49Å; W331-Y341 HydrophobicContact CZ2-CE2 4.26Å; W331-Y341 AromaticContact CZ3-CD1 3.32Å; W331-Y341 HydrophobicContact CZ3-CD1 3.32Å; W331-Y341 AromaticContact CZ3-CD2 3.69Å; W331-Y341 HydrophobicContact CZ3-CD2 3.69Å; W331-Y341 AromaticContact CZ3-CE1 3.47Å; W331-Y341 HydrophobicContact CZ3-CE1 3.47Å; W331-Y341 VanDerWaalsContact CZ3-CE1 3.47Å; W331-Y341 AromaticContact CZ3-CE2 3.84Å; W331-Y341 HydrophobicContact CZ3-CE2 3.84Å; W331-Y341 AromaticContact CZ3-CG 3.42Å; W331-Y341 HydrophobicContact CZ3-CG 3.42Å; W331-Y341 VanDerWaalsContact CZ3-CG 3.42Å; W331-Y341 AromaticContact CZ3-CZ 3.73Å; L337-Y341 VanDerWaalsContact O-CB 3.28Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 PolarHBondContact O-N 2.81Å; Y338-Y341 HydrophobicContact CD2-CD1 4.36Å; Y338-Y341 HydrophobicContact CE2-CD1 4.36Å; Y338-Y341 WeakPolarHBondContact O-CB 3.2Å; Y338-Y341 PolarHBondContact O-N 2.89Å; S339-Y341 VanDerWaalsContact C-N 3.3Å; S339-Y341 PolarHBondContact O-N 2.84Å; Y341-D343 PolarHBondContact O-N 2.77Å; Y341-K344 PolarHBondContact O-N 3.38Å; Y341-K345 HydrophobicContact CE1-CB 4.49Å; Y341-K345 HydrophobicContact CE1-CD 4.15Å; Y341-K345 HydrophobicContact CE2-CB 4.44Å; Y341-K345 WeakPolarHBondContact O-CB 3.35Å; Y341-K345 PolarHBondContact O-N 2.91Å |
| 342 | L | 86.9 | Confident | 83.2 | Confident | 52 Ų | 52 | 98 Ų | 98 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.4 | -72.9 | 177.1 | 0 | 0 | 0 | 110.9 | Y338 S339 K344 K345 D346 | Y338-L342 HydrophobicContact CD1-CD1 3.96Å; Y338-L342 HydrophobicContact CD1-CG 4.39Å; Y338-L342 HydrophobicContact CE1-CD1 3.63Å; Y338-L342 HydrophobicContact CE1-CD2 4.49Å; Y338-L342 HydrophobicContact CE1-CG 4.14Å; Y338-L342 WeakPolarHBondContact O-CG 3.41Å; Y338-L342 PolarHBondContact O-N 2.75Å; S339-L342 PolarHBondContact O-N 2.71Å; S339-L342 VanDerWaalsContact O-N 3.12Å; L342-K344 PolarHBondContact O-N 3.02Å; L342-K345 PolarHBondContact O-N 3.39Å; L342-D346 WeakPolarHBondContact O-CB 3.41Å; L342-D346 PolarHBondContact O-N 3.4Å |
| 343 | D | 89.6 | Confident | 84.1 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.1 | -47.1 | 176.1 | -74.9 | -14.2 | 0 | 0 | 0 | 111.5 | S339 Y341 D346 F347 | S339-D343 PolarHBondContact O-N 2.78Å; Y341-D343 PolarHBondContact O-N 2.77Å; D343-D346 PolarHBondContact O-N 3.47Å; D343-F347 WeakPolarHBondContact O-CB 3.33Å; D343-F347 PolarHBondContact O-N 3.02Å |
| 344 | K | 90.5 | Very high | 85.7 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | -179.3 | -171.6 | 61 | 178.8 | 175.9 | 0 | 112.3 | L340 Y341 L342 F347 L348 | L340-K344 WeakPolarHBondContact O-CB 3.32Å; L340-K344 PolarHBondContact O-N 3.4Å; Y341-K344 PolarHBondContact O-N 3.38Å; L342-K344 PolarHBondContact O-N 3.02Å; K344-F347 PolarHBondContact O-N 2.9Å; K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.36Å; K344-L348 PolarHBondContact O-N 2.76Å |
| 345 | K | 92.4 | Very high | 86.3 | Confident | 57 Ų | 57 | 94.6 Ų | 94.6 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.3 | 176.8 | -144.1 | 65.8 | 169.8 | 0 | 110.3 | Y341 L342 L348 K349 | Y341-K345 HydrophobicContact CE1-CB 4.49Å; Y341-K345 HydrophobicContact CE1-CD 4.15Å; Y341-K345 HydrophobicContact CE2-CB 4.44Å; Y341-K345 WeakPolarHBondContact O-CB 3.35Å; Y341-K345 PolarHBondContact O-N 2.91Å; L342-K345 PolarHBondContact O-N 3.39Å; K345-L348 PolarHBondContact O-N 3.16Å; K345-K349 WeakPolarHBondContact O-CB 3.44Å; K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.27Å |
| 346 | D | 92 | Very high | 87 | Confident | 85 Ų | 85 | 90.3 Ų | 90.3 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 177.7 | -71.4 | -14 | 0 | 0 | 0 | 111.6 | L342 D343 K349 A350 | L342-D346 WeakPolarHBondContact O-CB 3.41Å; L342-D346 PolarHBondContact O-N 3.4Å; D343-D346 PolarHBondContact O-N 3.47Å; D346-K349 PolarHBondContact O-N 3.16Å; D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.78Å |
| 347 | F | 92.1 | Very high | 87.8 | Confident | 115 Ų | 115 | 92.1 Ų | 92.1 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57 | -50.7 | 170.1 | 176.3 | -88.9 | 0 | 0 | 0 | 112.1 | D343 K344 K349 A350 E351 | D343-F347 WeakPolarHBondContact O-CB 3.33Å; D343-F347 PolarHBondContact O-N 3.02Å; K344-F347 PolarHBondContact O-N 2.9Å; F347-K349 VanDerWaalsContact C-N 3.34Å; F347-K349 PolarHBondContact O-N 3.29Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.15Å; F347-E351 PolarHBondContact O-N 2.91Å |
| 348 | L | 91.6 | Very high | 88.5 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 179.9 | -75 | 171 | 0 | 0 | 0 | 112.3 | K344 K345 E351 H352 | K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.36Å; K344-L348 PolarHBondContact O-N 2.76Å; K345-L348 PolarHBondContact O-N 3.16Å; L348-E351 PolarHBondContact O-N 3.24Å; L348-H352 VanDerWaalsContact O-CB 3.28Å; L348-H352 WeakPolarHBondContact O-CB 3.37Å; L348-H352 PolarHBondContact O-N 3.15Å |
| 349 | K | 91.4 | Very high | 89.1 | Confident | 119 Ų | 119 | 92.5 Ų | 92.5 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 172.3 | -78.5 | -179.3 | 177.9 | -170.1 | 0 | 111.4 | K345 D346 F347 H352 N353 | K345-K349 WeakPolarHBondContact O-CB 3.44Å; K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.27Å; D346-K349 PolarHBondContact O-N 3.16Å; F347-K349 VanDerWaalsContact C-N 3.34Å; F347-K349 PolarHBondContact O-N 3.29Å; K349-H352 PolarHBondContact O-N 3.04Å; K349-N353 WeakPolarHBondContact O-CB 3.36Å; K349-N353 VanDerWaalsContact O-CG 3.29Å; K349-N353 PolarHBondContact O-N 2.95Å; K349-N353 PolarHBondContact O-ND2 3.01Å |
| 350 | A | 90.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D346 F347 N353 S354 | D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.78Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.15Å; A350-N353 PolarHBondContact O-N 3.36Å; A350-S354 PolarHBondContact O-N 3.34Å |
| 351 | E | 91.4 | Very high | 89.8 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 175.1 | -173.1 | 178.1 | -164.9 | 0 | 0 | 111.3 | F347 L348 N353 S354 Y355 | F347-E351 PolarHBondContact O-N 2.91Å; L348-E351 PolarHBondContact O-N 3.24Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.9Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-S354 VanDerWaalsContact O-N 3.12Å; E351-Y355 PolarHBondContact O-N 3.18Å |
| 352 | H | 90.9 | Very high | 89.8 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 176.1 | 179.2 | 71.3 | 0 | 0 | 0 | 112.3 | L348 K349 S354 Y355 L356 | L348-H352 VanDerWaalsContact O-CB 3.28Å; L348-H352 WeakPolarHBondContact O-CB 3.37Å; L348-H352 PolarHBondContact O-N 3.15Å; K349-H352 PolarHBondContact O-N 3.04Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 2.87Å; H352-Y355 PolarHBondContact O-N 3.22Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.34Å; H352-L356 WeakPolarHBondContact O-CG 3.48Å; H352-L356 PolarHBondContact O-N 2.96Å |
| 353 | N | 88.8 | Confident | 89.8 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 176.5 | -76.4 | -38.5 | 0 | 0 | 0 | 112.4 | K349 A350 E351 R357 | K349-N353 WeakPolarHBondContact O-CB 3.36Å; K349-N353 VanDerWaalsContact O-CG 3.29Å; K349-N353 PolarHBondContact O-N 2.95Å; K349-N353 PolarHBondContact O-ND2 3.01Å; A350-N353 PolarHBondContact O-N 3.36Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.9Å; N353-R357 VanDerWaalsContact O-CG 3.31Å; N353-R357 WeakPolarHBondContact O-CG 3.42Å; N353-R357 PolarHBondContact O-N 2.88Å; N353-R357 VanDerWaalsContact O-N 3.15Å; N353-R357 PolarHBondContact O-NE 3.31Å |
| 354 | S | 89.4 | Confident | 89.7 | Confident | 32 Ų | 32 | 94.8 Ų | 94.8 | 22% | 0.224 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 172.7 | -146 | 0 | 0 | 0 | 0 | 111 | A350 E351 H352 L356 R357 E358 | A350-S354 PolarHBondContact O-N 3.34Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-S354 VanDerWaalsContact O-N 3.12Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 2.87Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.48Å; S354-R357 WeakPolarHBondContact O-CB 3.35Å; S354-R357 PolarHBondContact O-N 2.92Å; S354-R357 PolarHBondContact OG-NH2 3.3Å; S354-E358 WeakPolarHBondContact O-CG 3.45Å; S354-E358 PolarHBondContact O-N 3.16Å; S354-E358 PolarHBondContact OG-OE1 3.36Å |
| 355 | Y | 90.9 | Very high | 89.7 | Confident | 115 Ų | 115 | 91 Ų | 91 | 45% | 0.451 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.1 | -46.3 | 176 | -176.4 | -96.6 | 0 | 0 | 0 | 111.9 | E351 H352 R357 E358 H359 L362 | E351-Y355 PolarHBondContact O-N 3.18Å; H352-Y355 PolarHBondContact O-N 3.22Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.39Å; Y355-E358 PolarHBondContact O-N 3.22Å; Y355-H359 AromaticContact CD2-CD2 3.49Å; Y355-H359 VanDerWaalsContact CD2-CD2 3.49Å; Y355-H359 WeakPolarHBondContact CD2-CD2 3.31Å; Y355-H359 AromaticContact CD2-NE2 3.86Å; Y355-H359 AromaticContact CE2-CD2 3.31Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.42Å; Y355-H359 AromaticContact CE2-NE2 3.45Å; Y355-H359 WeakPolarHBondContact CE2-NE2 3.22Å; Y355-H359 AromaticContact CG-CD2 3.94Å; Y355-H359 AromaticContact CZ-CD2 3.61Å; Y355-H359 WeakPolarHBondContact O-CB 3.44Å; Y355-H359 PolarHBondContact O-CD2 2.9Å; Y355-H359 VanDerWaalsContact O-CD2 3.23Å; Y355-H359 PolarHBondContact O-N 3.24Å; Y355-L362 HydrophobicContact CD1-CD1 4.18Å; Y355-L362 HydrophobicContact CE1-CD1 3.42Å; Y355-L362 VanDerWaalsContact CE1-CD1 3.42Å |
| 356 | L | 86.9 | Confident | 89.6 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 176.7 | -71.2 | -178.4 | 0 | 0 | 0 | 114 | H352 S354 H359 L362 | H352-L356 WeakPolarHBondContact NE2-CD1 3.34Å; H352-L356 WeakPolarHBondContact O-CG 3.48Å; H352-L356 PolarHBondContact O-N 2.96Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.48Å; L356-H359 CarbonylContact O-C 3.51Å; L356-L362 HydrophobicContact CD2-CD1 4.34Å |
| 357 | R | 87.8 | Confident | 89.5 | Confident | 188 Ų | 188 | 91.3 Ų | 91.3 | 71% | 0.709 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -73.7 | -36 | 173.8 | -75.3 | -177.4 | -60.7 | 162.9 | 6.3 | 111.9 | N353 S354 Y355 H359 | N353-R357 VanDerWaalsContact O-CG 3.31Å; N353-R357 WeakPolarHBondContact O-CG 3.42Å; N353-R357 PolarHBondContact O-N 2.88Å; N353-R357 VanDerWaalsContact O-N 3.15Å; N353-R357 PolarHBondContact O-NE 3.31Å; S354-R357 WeakPolarHBondContact O-CB 3.35Å; S354-R357 PolarHBondContact O-N 2.92Å; S354-R357 PolarHBondContact OG-NH2 3.3Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.39Å; R357-H359 VanDerWaalsContact C-N 3.31Å |
| 358 | E | 89.8 | Confident | 89.5 | Confident | 131 Ų | 131 | 89.4 Ų | 89.4 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -74 | -24.7 | 177.1 | -71.3 | 165.9 | -146.5 | 0 | 0 | 112.1 | S354 Y355 P360 | S354-E358 WeakPolarHBondContact O-CG 3.45Å; S354-E358 PolarHBondContact O-N 3.16Å; S354-E358 PolarHBondContact OG-OE1 3.36Å; Y355-E358 PolarHBondContact O-N 3.22Å; E358-P360 VanDerWaalsContact C-CD 3.45Å; E358-P360 WeakPolarHBondContact O-CD 3.21Å |
| 359 | H | 87.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 86.3 Ų | 86.3 | 18% | 0.181 | 43% | 0.428 | C | S | . | . | trans | -121 | 66.4 | -178.2 | -65.1 | -73.7 | 0 | 0 | 0 | 113.3 | Y355 L356 R357 E361 L362 | Y355-H359 AromaticContact CD2-CD2 3.49Å; Y355-H359 VanDerWaalsContact CD2-CD2 3.49Å; Y355-H359 WeakPolarHBondContact CD2-CD2 3.31Å; Y355-H359 AromaticContact CD2-NE2 3.86Å; Y355-H359 AromaticContact CE2-CD2 3.31Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.42Å; Y355-H359 AromaticContact CE2-NE2 3.45Å; Y355-H359 WeakPolarHBondContact CE2-NE2 3.22Å; Y355-H359 AromaticContact CG-CD2 3.94Å; Y355-H359 AromaticContact CZ-CD2 3.61Å; Y355-H359 WeakPolarHBondContact O-CB 3.44Å; Y355-H359 PolarHBondContact O-CD2 2.9Å; Y355-H359 VanDerWaalsContact O-CD2 3.23Å; Y355-H359 PolarHBondContact O-N 3.24Å; L356-H359 CarbonylContact O-C 3.51Å; R357-H359 VanDerWaalsContact C-N 3.31Å; H359-E361 VanDerWaalsContact CA-OE2 3.29Å; H359-E361 WeakPolarHBondContact CA-OE2 3.39Å; H359-E361 WeakPolarHBondContact CB-OE1 3.39Å; H359-E361 IonicContact CE1-OE1 2.85Å; H359-E361 IonicContact CG-OE1 2.72Å; H359-E361 IonicContact ND1-OE1 3.46Å; H359-E361 PolarHBondContact ND1-OE1 3.14Å; H359-E361 PolarHBondContact O-N 3.12Å; H359-E361 VanDerWaalsContact O-N 3.16Å; H359-L362 HydrophobicContact CB-CD1 3.75Å; H359-L362 HydrophobicContact CB-CG 4.08Å; H359-L362 PolarHBondContact O-N 3.45Å; H359-L362 VanDerWaalsContact O-N 3.16Å | ||
| 360 | P | 88.6 | Confident | 89.6 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -23.2 | 179.2 | 27.1 | -35.7 | 0 | 0 | 0 | 113.4 | E358 L362 R363 A364 | E358-P360 VanDerWaalsContact C-CD 3.45Å; E358-P360 WeakPolarHBondContact O-CD 3.21Å; P360-L362 PolarHBondContact O-N 3.02Å; P360-R363 PolarHBondContact O-N 3.06Å; P360-A364 PolarHBondContact O-N 3.42Å |
| 361 | E | 88.7 | Confident | 89.8 | Confident | 86 Ų | 86 | 87 Ų | 87 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.9 | -30.9 | 175.4 | 64.5 | -82.5 | -169.2 | 0 | 0 | 113.1 | H359 A364 L365 | H359-E361 VanDerWaalsContact CA-OE2 3.29Å; H359-E361 WeakPolarHBondContact CA-OE2 3.39Å; H359-E361 WeakPolarHBondContact CB-OE1 3.39Å; H359-E361 IonicContact CE1-OE1 2.85Å; H359-E361 IonicContact CG-OE1 2.72Å; H359-E361 IonicContact ND1-OE1 3.46Å; H359-E361 PolarHBondContact ND1-OE1 3.14Å; H359-E361 PolarHBondContact O-N 3.12Å; H359-E361 VanDerWaalsContact O-N 3.16Å; E361-A364 PolarHBondContact O-N 3.39Å; E361-L365 VanDerWaalsContact O-CB 3.28Å; E361-L365 WeakPolarHBondContact O-CB 3.21Å; E361-L365 PolarHBondContact O-N 2.84Å |
| 362 | L | 88.2 | Confident | 89.8 | Confident | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 178.2 | -66.3 | 174.1 | 0 | 0 | 0 | 111.5 | Y355 L356 H359 P360 L365 L366 | Y355-L362 HydrophobicContact CD1-CD1 4.18Å; Y355-L362 HydrophobicContact CE1-CD1 3.42Å; Y355-L362 VanDerWaalsContact CE1-CD1 3.42Å; L356-L362 HydrophobicContact CD2-CD1 4.34Å; H359-L362 HydrophobicContact CB-CD1 3.75Å; H359-L362 HydrophobicContact CB-CG 4.08Å; H359-L362 PolarHBondContact O-N 3.45Å; H359-L362 VanDerWaalsContact O-N 3.16Å; P360-L362 PolarHBondContact O-N 3.02Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 2.9Å |
| 363 | R | 86.6 | Confident | 89.8 | Confident | 203 Ų | 203 | 81.5 Ų | 81.5 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 177.4 | -172 | 179.3 | 176.9 | 106.4 | 0.3 | 110.9 | P360 S367 | P360-R363 PolarHBondContact O-N 3.06Å; R363-S367 WeakPolarHBondContact O-CB 3.49Å; R363-S367 PolarHBondContact O-N 2.9Å |
| 364 | A | 87.6 | Confident | 90 | Very high | 51 Ų | 51 | 82.6 Ų | 82.6 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P360 E361 L366 S367 D368 | P360-A364 PolarHBondContact O-N 3.42Å; E361-A364 PolarHBondContact O-N 3.39Å; A364-L366 VanDerWaalsContact C-N 3.34Å; A364-L366 PolarHBondContact O-N 3.23Å; A364-S367 WeakPolarHBondContact O-CB 3.49Å; A364-S367 PolarHBondContact O-N 2.89Å; A364-D368 PolarHBondContact O-N 3.19Å |
| 365 | L | 91 | Very high | 90.2 | Very high | 33 Ų | 33 | 87.2 Ų | 87.2 | 17% | 0.173 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 179 | 177.1 | 61.4 | 0 | 0 | 0 | 112.8 | E361 L362 F369 Y388 F389 Y392 | E361-L365 VanDerWaalsContact O-CB 3.28Å; E361-L365 WeakPolarHBondContact O-CB 3.21Å; E361-L365 PolarHBondContact O-N 2.84Å; L362-L365 PolarHBondContact O-N 2.83Å; L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.14Å; L365-Y388 HydrophobicContact CD1-CE1 4.17Å; L365-F389 HydrophobicContact CD2-CD1 4.35Å; L365-F389 HydrophobicContact CD2-CE1 4.42Å; L365-F389 HydrophobicContact CG-CD1 4.5Å; L365-F389 HydrophobicContact CG-CE1 4.22Å; L365-Y392 HydrophobicContact CD1-CD1 3.55Å; L365-Y392 HydrophobicContact CD1-CD2 3.63Å; L365-Y392 HydrophobicContact CD1-CE1 3.49Å; L365-Y392 VanDerWaalsContact CD1-CE1 3.49Å; L365-Y392 HydrophobicContact CD1-CE2 3.58Å; L365-Y392 HydrophobicContact CD1-CG 3.59Å; L365-Y392 VanDerWaalsContact CD1-CZ 3.5Å; L365-Y392 HydrophobicContact CD2-CD1 4.42Å; L365-Y392 HydrophobicContact CD2-CG 4.13Å |
| 366 | L | 90.4 | Very high | 90.2 | Very high | 94 Ų | 94 | 85.9 Ų | 85.9 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.8 | -36.1 | 177 | -71.8 | 171.9 | 0 | 0 | 0 | 112 | L362 A364 F369 I370 | L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 2.9Å; A364-L366 VanDerWaalsContact C-N 3.34Å; A364-L366 PolarHBondContact O-N 3.23Å; L366-F369 PolarHBondContact O-N 2.89Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.21Å |
| 367 | S | 90.5 | Very high | 90.4 | Very high | 55 Ų | 55 | 90.2 Ų | 90.2 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 177 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | R363 A364 F369 I370 Q371 | R363-S367 WeakPolarHBondContact O-CB 3.49Å; R363-S367 PolarHBondContact O-N 2.9Å; A364-S367 WeakPolarHBondContact O-CB 3.49Å; A364-S367 PolarHBondContact O-N 2.89Å; S367-F369 VanDerWaalsContact C-N 3.33Å; S367-I370 PolarHBondContact O-N 2.84Å; S367-Q371 VanDerWaalsContact O-CG 3.31Å; S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.88Å; S367-Q371 PolarHBondContact OG-NE2 3.18Å |
| 368 | D | 91.1 | Very high | 90.7 | Very high | 74 Ų | 74 | 82.8 Ų | 82.8 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.4 | -66.2 | -14.7 | 0 | 0 | 0 | 110.6 | A364 I370 Q371 D372 Y388 | A364-D368 PolarHBondContact O-N 3.19Å; D368-I370 PolarHBondContact O-N 2.85Å; D368-Q371 PolarHBondContact O-N 3.02Å; D368-D372 PolarHBondContact O-N 3.35Å; D368-Y388 VanDerWaalsContact C-OH 3.28Å; D368-Y388 WeakPolarHBondContact CB-OH 3.26Å |
| 369 | F | 93.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 85.2 Ų | 85.2 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 175.5 | 176.1 | -111.9 | 0 | 0 | 0 | 112.5 | L365 L366 S367 D372 L373 F384 A385 Y388 F389 | L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.14Å; L366-F369 PolarHBondContact O-N 2.89Å; S367-F369 VanDerWaalsContact C-N 3.33Å; F369-D372 PolarHBondContact O-N 3.48Å; F369-L373 HydrophobicContact CZ-CD1 4.44Å; F369-L373 VanDerWaalsContact O-CB 3.27Å; F369-L373 WeakPolarHBondContact O-CB 3.44Å; F369-L373 PolarHBondContact O-N 3.43Å; F369-F384 HydrophobicContact CD2-CE1 4.16Å; F369-F384 AromaticContact CE2-CD1 3.64Å; F369-F384 HydrophobicContact CE2-CD1 3.64Å; F369-F384 AromaticContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CZ-CD1 4.2Å; F369-A385 HydrophobicContact CE2-CB 4.12Å; F369-A385 HydrophobicContact CZ-CB 3.76Å; F369-Y388 WeakPolarHBondContact CA-OH 3.44Å; F369-Y388 HydrophobicContact CB-CD1 4.07Å; F369-Y388 HydrophobicContact CB-CE1 3.54Å; F369-Y388 AromaticContact CD2-CD1 3.34Å; F369-Y388 HydrophobicContact CD2-CD1 3.34Å; F369-Y388 AromaticContact CD2-CD2 3.87Å; F369-Y388 HydrophobicContact CD2-CD2 3.87Å; F369-Y388 AromaticContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE2 4.17Å; F369-Y388 AromaticContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CD2-CG 3.45Å; F369-Y388 VanDerWaalsContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CE2-CD1 4.15Å; F369-Y388 HydrophobicContact CE2-CD2 4.46Å; F369-Y388 AromaticContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CG-CD1 4.07Å; F369-Y388 HydrophobicContact CG-CE1 4.06Å; F369-Y388 PolarHBondContact N-OH 3.46Å; F369-Y388 VanDerWaalsContact N-OH 3.13Å; F369-F389 HydrophobicContact CB-CE1 4.35Å; F369-F389 HydrophobicContact CB-CZ 4.02Å; F369-F389 HydrophobicContact CD1-CE2 4.2Å; F369-F389 AromaticContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD2-CE2 4.02Å; F369-F389 AromaticContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CE1-CE2 4.15Å; F369-F389 HydrophobicContact CE1-CZ 4.14Å; F369-F389 AromaticContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CZ 4.22Å; F369-F389 HydrophobicContact CG-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE2 4.13Å; F369-F389 AromaticContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CZ-CE2 4.03Å; F369-F389 HydrophobicContact CZ-CZ 4.37Å |
| 370 | I | 92.6 | Very high | 90.8 | Very high | 93 Ų | 93 | 87.6 Ų | 87.6 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 178.8 | -68.5 | 168.4 | 0 | 0 | 0 | 110.7 | L366 S367 D368 L373 L374 | L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.21Å; S367-I370 PolarHBondContact O-N 2.84Å; D368-I370 PolarHBondContact O-N 2.85Å; I370-L373 PolarHBondContact O-N 3.41Å; I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 3.49Å |
| 371 | Q | 93.2 | Very high | 90.9 | Very high | 98 Ų | 98 | 87.9 Ų | 87.9 | 46% | 0.458 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 175.9 | -73.2 | 174 | 54.4 | 0 | 0 | 111.1 | S367 D368 L373 L374 I375 | S367-Q371 VanDerWaalsContact O-CG 3.31Å; S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.88Å; S367-Q371 PolarHBondContact OG-NE2 3.18Å; D368-Q371 PolarHBondContact O-N 3.02Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.13Å; Q371-L374 PolarHBondContact O-N 3.03Å; Q371-L374 VanDerWaalsContact O-N 3.17Å; Q371-I375 WeakPolarHBondContact O-CD1 3.45Å; Q371-I375 VanDerWaalsContact O-CG1 3.26Å; Q371-I375 WeakPolarHBondContact O-CG1 3.44Å; Q371-I375 PolarHBondContact O-N 3.03Å |
| 372 | D | 91.1 | Very high | 91 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 179.6 | -76.3 | -9.3 | 0 | 0 | 0 | 111.9 | D368 F369 L374 I375 V376 F384 Y388 | D368-D372 PolarHBondContact O-N 3.35Å; F369-D372 PolarHBondContact O-N 3.48Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.06Å; D372-I375 PolarHBondContact O-N 3.34Å; D372-V376 WeakPolarHBondContact O-CB 3.36Å; D372-V376 WeakPolarHBondContact O-CG2 3.27Å; D372-V376 PolarHBondContact O-N 3.01Å; D372-F384 HydrophobicContact CB-CZ 4.24Å; D372-Y388 HydrophobicContact CB-CE2 4.09Å; D372-Y388 WeakPolarHBondContact OD2-CE2 3.37Å |
| 373 | L | 92.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 92.7 Ų | 92.7 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.6 | -168.8 | 76.1 | 0 | 0 | 0 | 111.8 | F369 I370 Q371 I375 K377 P378 I381 F384 | F369-L373 HydrophobicContact CZ-CD1 4.44Å; F369-L373 VanDerWaalsContact O-CB 3.27Å; F369-L373 WeakPolarHBondContact O-CB 3.44Å; F369-L373 PolarHBondContact O-N 3.43Å; I370-L373 PolarHBondContact O-N 3.41Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.13Å; L373-I375 VanDerWaalsContact C-N 3.34Å; L373-K377 WeakPolarHBondContact O-CA 3.31Å; L373-K377 PolarHBondContact O-N 2.92Å; L373-P378 HydrophobicContact CD1-CG 3.88Å; L373-I381 HydrophobicContact CD1-CB 4.43Å; L373-I381 HydrophobicContact CD1-CG1 4.26Å; L373-I381 HydrophobicContact CD1-CG2 3.89Å; L373-I381 HydrophobicContact CD2-CG2 4.14Å; L373-F384 HydrophobicContact CB-CE1 4.28Å; L373-F384 HydrophobicContact CD1-CD1 3.52Å; L373-F384 HydrophobicContact CD1-CE1 3.86Å; L373-F384 HydrophobicContact CD1-CG 4.37Å |
| 374 | L | 92.8 | Very high | 91.3 | Very high | 114 Ų | 114 | 84.8 Ų | 84.8 | 60% | 0.597 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -72.2 | -26.8 | 179.7 | -71.7 | 172.9 | 0 | 0 | 0 | 113.1 | I370 Q371 D372 K377 | I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 3.49Å; Q371-L374 PolarHBondContact O-N 3.03Å; Q371-L374 VanDerWaalsContact O-N 3.17Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.06Å; L374-K377 WeakPolarHBondContact O-CE 3.3Å; L374-K377 VanDerWaalsContact O-CG 3.3Å; L374-K377 WeakPolarHBondContact O-CG 3.41Å |
| 375 | I | 92.8 | Very high | 91.5 | Very high | 130 Ų | 130 | 83.5 Ų | 83.5 | 67% | 0.667 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.6 | -50.6 | 175.9 | -67.9 | 163.8 | 0 | 0 | 0 | 110.5 | Q371 D372 L373 | Q371-I375 WeakPolarHBondContact O-CD1 3.45Å; Q371-I375 VanDerWaalsContact O-CG1 3.26Å; Q371-I375 WeakPolarHBondContact O-CG1 3.44Å; Q371-I375 PolarHBondContact O-N 3.03Å; D372-I375 PolarHBondContact O-N 3.34Å; L373-I375 VanDerWaalsContact C-N 3.34Å |
| 376 | V | 92.1 | Very high | 91.3 | Very high | 86 Ų | 86 | 90.1 Ų | 90.1 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78 | -32.6 | -173.3 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | D372 P378 F384 | D372-V376 WeakPolarHBondContact O-CB 3.36Å; D372-V376 WeakPolarHBondContact O-CG2 3.27Å; D372-V376 PolarHBondContact O-N 3.01Å; V376-P378 HydrophobicContact CG1-CB 4.42Å; V376-F384 HydrophobicContact CB-CE2 4.32Å; V376-F384 HydrophobicContact CG1-CE2 4.17Å; V376-F384 HydrophobicContact CG2-CE2 4.35Å; V376-F384 HydrophobicContact CG2-CZ 4.47Å |
| 377 | K | 91.3 | Very high | 91.2 | Very high | 160 Ų | 160 | 91.9 Ų | 91.9 | 70% | 0.696 | 46% | 0.459 | S | S | * | . | trans | 43.3 | 58.1 | -176.5 | -61.8 | -173.9 | 178.5 | -179.8 | 0 | 113 | L373 L374 | L373-K377 WeakPolarHBondContact O-CA 3.31Å; L373-K377 PolarHBondContact O-N 2.92Å; L374-K377 WeakPolarHBondContact O-CE 3.3Å; L374-K377 VanDerWaalsContact O-CG 3.3Å; L374-K377 WeakPolarHBondContact O-CG 3.41Å | ||
| 378 | P | 93.5 | Very high | 91.2 | Very high | 32 Ų | 32 | 90.7 Ų | 90.7 | 21% | 0.208 | 45% | 0.446 | C | S | . | . | trans | -69 | 145.2 | -178 | 30.5 | -35 | 0 | 0 | 0 | 111.3 | L373 V376 N380 F384 | L373-P378 HydrophobicContact CD1-CG 3.88Å; V376-P378 HydrophobicContact CG1-CB 4.42Å; P378-N380 PolarHBondContact O-N 3.06Å; P378-F384 HydrophobicContact CB-CB 4.29Å; P378-F384 HydrophobicContact CB-CD2 4.43Å; P378-F384 HydrophobicContact CB-CG 4.48Å; P378-F384 HydrophobicContact CG-CB 3.79Å; P378-F384 HydrophobicContact CG-CD1 4.23Å; P378-F384 HydrophobicContact CG-CD2 4.03Å; P378-F384 HydrophobicContact CG-CG 3.76Å | ||
| 379 | D | 88.1 | Confident | 91.1 | Very high | 181 Ų | 181 | 90.4 Ų | 90.4 | 97% | 0.968 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -63.8 | -23.6 | 175.9 | -61.2 | -42.8 | 0 | 0 | 0 | 112.7 | ||
| 380 | N | 91.6 | Very high | 90.8 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | trans | -126.1 | 94.7 | 178.1 | -169.4 | -27.2 | 0 | 0 | 0 | 112 | P378 F382 Q383 F384 | P378-N380 PolarHBondContact O-N 3.06Å; N380-F382 VanDerWaalsContact C-N 3.33Å; N380-F382 PolarHBondContact O-N 3.45Å; N380-F382 PolarHBondContact OD1-N 2.9Å; N380-Q383 HydrophobicContact CB-CB 4.19Å; N380-Q383 PolarHBondContact O-N 3.22Å; N380-Q383 PolarHBondContact OD1-N 3.45Å; N380-F384 PolarHBondContact O-N 2.96Å; N380-F384 VanDerWaalsContact O-N 3.14Å | ||
| 381 | I | 90.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 92.3 Ų | 92.3 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | -179.5 | -58.7 | 170.7 | 0 | 0 | 0 | 111.9 | L373 F384 A385 | L373-I381 HydrophobicContact CD1-CB 4.43Å; L373-I381 HydrophobicContact CD1-CG1 4.26Å; L373-I381 HydrophobicContact CD1-CG2 3.89Å; L373-I381 HydrophobicContact CD2-CG2 4.14Å; I381-F384 PolarHBondContact O-N 2.61Å; I381-A385 WeakPolarHBondContact O-CB 3.3Å; I381-A385 PolarHBondContact O-N 2.9Å |
| 382 | F | 90.7 | Very high | 89.7 | Confident | 170 Ų | 170 | 92.9 Ų | 92.9 | 75% | 0.746 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.4 | -38.5 | -177.3 | -63.7 | -73.9 | 0 | 0 | 0 | 112.5 | N380 R386 | N380-F382 VanDerWaalsContact C-N 3.33Å; N380-F382 PolarHBondContact O-N 3.45Å; N380-F382 PolarHBondContact OD1-N 2.9Å; F382-R386 PolarHBondContact O-N 3.21Å; F382-R386 VanDerWaalsContact O-N 3.12Å |
| 383 | Q | 89.9 | Confident | 88.6 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 33% | 0.327 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 174.2 | -176.3 | 62.7 | 22 | 0 | 0 | 110.7 | N380 R386 E387 | N380-Q383 HydrophobicContact CB-CB 4.19Å; N380-Q383 PolarHBondContact O-N 3.22Å; N380-Q383 PolarHBondContact OD1-N 3.45Å; Q383-R386 WeakPolarHBondContact O-CB 3.31Å; Q383-R386 PolarHBondContact O-N 3.39Å; Q383-E387 PolarHBondContact NE2-OE1 2.72Å; Q383-E387 PolarHBondContact O-N 2.96Å |
| 384 | F | 91 | Very high | 87 | Confident | 37 Ų | 37 | 98 Ų | 98 | 16% | 0.162 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.9 | -178.3 | -100.5 | 0 | 0 | 0 | 112.2 | F369 D372 L373 V376 P378 N380 I381 R386 E387 Y388 | F369-F384 HydrophobicContact CD2-CE1 4.16Å; F369-F384 AromaticContact CE2-CD1 3.64Å; F369-F384 HydrophobicContact CE2-CD1 3.64Å; F369-F384 AromaticContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CZ-CD1 4.2Å; D372-F384 HydrophobicContact CB-CZ 4.24Å; L373-F384 HydrophobicContact CB-CE1 4.28Å; L373-F384 HydrophobicContact CD1-CD1 3.52Å; L373-F384 HydrophobicContact CD1-CE1 3.86Å; L373-F384 HydrophobicContact CD1-CG 4.37Å; V376-F384 HydrophobicContact CB-CE2 4.32Å; V376-F384 HydrophobicContact CG1-CE2 4.17Å; V376-F384 HydrophobicContact CG2-CE2 4.35Å; V376-F384 HydrophobicContact CG2-CZ 4.47Å; P378-F384 HydrophobicContact CB-CB 4.29Å; P378-F384 HydrophobicContact CB-CD2 4.43Å; P378-F384 HydrophobicContact CB-CG 4.48Å; P378-F384 HydrophobicContact CG-CB 3.79Å; P378-F384 HydrophobicContact CG-CD1 4.23Å; P378-F384 HydrophobicContact CG-CD2 4.03Å; P378-F384 HydrophobicContact CG-CG 3.76Å; N380-F384 PolarHBondContact O-N 2.96Å; N380-F384 VanDerWaalsContact O-N 3.14Å; I381-F384 PolarHBondContact O-N 2.61Å; F384-R386 VanDerWaalsContact C-N 3.31Å; F384-R386 PolarHBondContact O-N 3.27Å; F384-E387 PolarHBondContact O-N 3.31Å; F384-E387 VanDerWaalsContact O-N 3.16Å; F384-Y388 HydrophobicContact CE1-CD2 4.32Å; F384-Y388 HydrophobicContact CZ-CD2 4.33Å; F384-Y388 WeakPolarHBondContact O-CB 3.32Å; F384-Y388 PolarHBondContact O-N 3.32Å |
| 385 | A | 90.8 | Very high | 85.3 | Confident | 23 Ų | 23 | 101.5 Ų | 101.5 | 19% | 0.19 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F369 I381 E387 Y388 F389 | F369-A385 HydrophobicContact CE2-CB 4.12Å; F369-A385 HydrophobicContact CZ-CB 3.76Å; I381-A385 WeakPolarHBondContact O-CB 3.3Å; I381-A385 PolarHBondContact O-N 2.9Å; A385-E387 PolarHBondContact O-N 2.89Å; A385-Y388 PolarHBondContact O-N 2.99Å; A385-F389 HydrophobicContact CB-CD2 4.24Å; A385-F389 HydrophobicContact CB-CE2 4.07Å; A385-F389 WeakPolarHBondContact O-CD2 3.42Å; A385-F389 PolarHBondContact O-N 3.17Å |
| 386 | R | 87.7 | Confident | 83.1 | Confident | 173 Ų | 173 | 101.4 Ų | 101.4 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -30.8 | 178.7 | -175.7 | -177.7 | -68.5 | 148.9 | -5 | 112.7 | F382 Q383 F384 P390 | F382-R386 PolarHBondContact O-N 3.21Å; F382-R386 VanDerWaalsContact O-N 3.12Å; Q383-R386 WeakPolarHBondContact O-CB 3.31Å; Q383-R386 PolarHBondContact O-N 3.39Å; F384-R386 VanDerWaalsContact C-N 3.31Å; F384-R386 PolarHBondContact O-N 3.27Å; R386-P390 WeakPolarHBondContact O-CD 3.37Å; R386-P390 WeakPolarHBondContact O-CG 3.3Å |
| 387 | E | 89.1 | Confident | 80.5 | Confident | 130 Ų | 130 | 103.1 Ų | 103.1 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -87.3 | -27.1 | 177.5 | -68.9 | 172 | -162.7 | 0 | 0 | 112.4 | Q383 F384 A385 P390 | Q383-E387 PolarHBondContact NE2-OE1 2.72Å; Q383-E387 PolarHBondContact O-N 2.96Å; F384-E387 PolarHBondContact O-N 3.31Å; F384-E387 VanDerWaalsContact O-N 3.16Å; A385-E387 PolarHBondContact O-N 2.89Å; E387-P390 WeakPolarHBondContact O-CD 3.49Å |
| 388 | Y | 88.9 | Confident | 78.2 | Confident | 30 Ų | 30 | 100.8 Ų | 100.8 | 12% | 0.118 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -76.5 | -46.8 | -176.9 | -172 | -85.8 | 0 | 0 | 0 | 114.3 | L365 D368 F369 D372 F384 A385 P390 P391 Y392 | L365-Y388 HydrophobicContact CD1-CE1 4.17Å; D368-Y388 VanDerWaalsContact C-OH 3.28Å; D368-Y388 WeakPolarHBondContact CB-OH 3.26Å; F369-Y388 WeakPolarHBondContact CA-OH 3.44Å; F369-Y388 HydrophobicContact CB-CD1 4.07Å; F369-Y388 HydrophobicContact CB-CE1 3.54Å; F369-Y388 AromaticContact CD2-CD1 3.34Å; F369-Y388 HydrophobicContact CD2-CD1 3.34Å; F369-Y388 AromaticContact CD2-CD2 3.87Å; F369-Y388 HydrophobicContact CD2-CD2 3.87Å; F369-Y388 AromaticContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE2 4.17Å; F369-Y388 AromaticContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CD2-CG 3.45Å; F369-Y388 VanDerWaalsContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CE2-CD1 4.15Å; F369-Y388 HydrophobicContact CE2-CD2 4.46Å; F369-Y388 AromaticContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CG-CD1 4.07Å; F369-Y388 HydrophobicContact CG-CE1 4.06Å; F369-Y388 PolarHBondContact N-OH 3.46Å; F369-Y388 VanDerWaalsContact N-OH 3.13Å; D372-Y388 HydrophobicContact CB-CE2 4.09Å; D372-Y388 WeakPolarHBondContact OD2-CE2 3.37Å; F384-Y388 HydrophobicContact CE1-CD2 4.32Å; F384-Y388 HydrophobicContact CZ-CD2 4.33Å; F384-Y388 WeakPolarHBondContact O-CB 3.32Å; F384-Y388 PolarHBondContact O-N 3.32Å; A385-Y388 PolarHBondContact O-N 2.99Å; Y388-P390 VanDerWaalsContact C-CD 3.45Å; Y388-P391 VanDerWaalsContact O-CD 3.32Å; Y388-P391 WeakPolarHBondContact O-CD 3.21Å; Y388-Y392 HydrophobicContact CD1-CE2 4.3Å; Y388-Y392 AromaticContact CE1-CE2 4Å; Y388-Y392 HydrophobicContact CE1-CE2 4Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.21Å |
| 389 | F | 89.5 | Confident | 75.5 | Confident | 69 Ų | 69 | 108.2 Ų | 108.2 | 30% | 0.303 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -78.4 | -24.1 | -173 | -68.2 | -67.3 | 0 | 0 | 0 | 117.9 | L365 F369 A385 P391 Y392 | L365-F389 HydrophobicContact CD2-CD1 4.35Å; L365-F389 HydrophobicContact CD2-CE1 4.42Å; L365-F389 HydrophobicContact CG-CD1 4.5Å; L365-F389 HydrophobicContact CG-CE1 4.22Å; F369-F389 HydrophobicContact CB-CE1 4.35Å; F369-F389 HydrophobicContact CB-CZ 4.02Å; F369-F389 HydrophobicContact CD1-CE2 4.2Å; F369-F389 AromaticContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD2-CE2 4.02Å; F369-F389 AromaticContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CE1-CE2 4.15Å; F369-F389 HydrophobicContact CE1-CZ 4.14Å; F369-F389 AromaticContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CZ 4.22Å; F369-F389 HydrophobicContact CG-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE2 4.13Å; F369-F389 AromaticContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CZ-CE2 4.03Å; F369-F389 HydrophobicContact CZ-CZ 4.37Å; A385-F389 HydrophobicContact CB-CD2 4.24Å; A385-F389 HydrophobicContact CB-CE2 4.07Å; A385-F389 WeakPolarHBondContact O-CD2 3.42Å; A385-F389 PolarHBondContact O-N 3.17Å; F389-P391 VanDerWaalsContact C-CD 3.4Å; F389-Y392 PolarHBondContact O-N 2.9Å; F389-Y392 VanDerWaalsContact O-N 3.08Å |
| 390 | P | 87.8 | Confident | 73.4 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -53 | -39.3 | -177.3 | -27.4 | 33.9 | 0 | 0 | 0 | 116.6 | R386 E387 Y388 Y392 S393 | R386-P390 WeakPolarHBondContact O-CD 3.37Å; R386-P390 WeakPolarHBondContact O-CG 3.3Å; E387-P390 WeakPolarHBondContact O-CD 3.49Å; Y388-P390 VanDerWaalsContact C-CD 3.45Å; P390-Y392 PolarHBondContact O-N 2.97Å; P390-Y392 VanDerWaalsContact O-N 3.15Å; P390-S393 WeakPolarHBondContact O-CB 3.23Å; P390-S393 PolarHBondContact O-N 3.43Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.4Å |
| 391 | P | 84.2 | Confident | 70.8 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -60.1 | -24.9 | 178 | -24.3 | 35.5 | 0 | 0 | 0 | 114.3 | Y388 F389 T394 | Y388-P391 VanDerWaalsContact O-CD 3.32Å; Y388-P391 WeakPolarHBondContact O-CD 3.21Å; F389-P391 VanDerWaalsContact C-CD 3.4Å; P391-T394 PolarHBondContact O-OG1 3.26Å |
| 392 | Y | 77.1 | Confident | 68.6 | Low | 110 Ų | 110 | 108 Ų | 108 | 43% | 0.431 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -89.3 | -8.9 | -177.5 | -54.3 | -83.2 | 0 | 0 | 0 | 113.3 | L365 Y388 F389 P390 T394 | L365-Y392 HydrophobicContact CD1-CD1 3.55Å; L365-Y392 HydrophobicContact CD1-CD2 3.63Å; L365-Y392 HydrophobicContact CD1-CE1 3.49Å; L365-Y392 VanDerWaalsContact CD1-CE1 3.49Å; L365-Y392 HydrophobicContact CD1-CE2 3.58Å; L365-Y392 HydrophobicContact CD1-CG 3.59Å; L365-Y392 VanDerWaalsContact CD1-CZ 3.5Å; L365-Y392 HydrophobicContact CD2-CD1 4.42Å; L365-Y392 HydrophobicContact CD2-CG 4.13Å; Y388-Y392 HydrophobicContact CD1-CE2 4.3Å; Y388-Y392 AromaticContact CE1-CE2 4Å; Y388-Y392 HydrophobicContact CE1-CE2 4Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.21Å; F389-Y392 PolarHBondContact O-N 2.9Å; F389-Y392 VanDerWaalsContact O-N 3.08Å; P390-Y392 PolarHBondContact O-N 2.97Å; P390-Y392 VanDerWaalsContact O-N 3.15Å; Y392-T394 PolarHBondContact O-N 3.45Å |
| 393 | S | 69.6 | Low | 66.4 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -72.9 | -6.8 | -179.5 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | P390 | P390-S393 WeakPolarHBondContact O-CB 3.23Å; P390-S393 PolarHBondContact O-N 3.43Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.4Å |
| 394 | T | 58.1 | Low | 63.7 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -89 | -2.9 | -174.4 | -4.7 | 0 | 0 | 0 | 0 | 114.9 | P391 Y392 | P391-T394 PolarHBondContact O-OG1 3.26Å; Y392-T394 PolarHBondContact O-N 3.45Å |
| 395 | Y | 56.1 | Low | 61.3 | Low | 187 Ų | 187 | 116.1 Ų | 116.1 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -107.9 | 123.2 | 173.5 | -69.5 | -90.2 | 0 | 0 | 0 | 107.7 | ||
| 396 | H | 47.5 | Very low | 58.6 | Low | 128 Ų | 128 | 120.5 Ų | 120.5 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | trans | 92.3 | 75.5 | -175.9 | -47.4 | -70.6 | 0 | 0 | 0 | 116.3 | ||||
| 397 | S | 38 | Very low | 56.7 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -98.2 | 97.8 | 130.2 | -73.8 | 0 | 0 | 0 | 0 | 107.3 | E399 | S397-E399 PolarHBondContact O-N 3.45Š| ||
| 398 | P | 42 | Very low | 55.1 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -63.6 | 131.5 | 162.4 | -11.2 | 27.3 | 0 | 0 | 0 | 107.5 | S400 | P398-S400 PolarHBondContact O-N 3.36Š| ||
| 399 | E | 36.5 | Very low | 53.3 | Low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -43.5 | 123.7 | -179.2 | -63.3 | 175.3 | 145.2 | 0 | 0 | 112 | S397 N401 | S397-E399 PolarHBondContact O-N 3.45Å; E399-N401 PolarHBondContact O-N 3.17Å; E399-N401 VanDerWaalsContact O-N 3.15Å | ||
| 400 | S | 44.7 | Very low | 51.3 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | -55.4 | 114.8 | 154.8 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | P398 | P398-S400 PolarHBondContact O-N 3.36Š| ||
| 401 | N | 37.6 | Very low | 49.1 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -175.7 | 162.1 | 149.2 | -106.7 | -15.3 | 0 | 0 | 0 | 112.3 | E399 | E399-N401 PolarHBondContact O-N 3.17Å; E399-N401 VanDerWaalsContact O-N 3.15Å | ||
| 402 | P | 43.5 | Very low | 47 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -125.5 | 171.1 | -39.5 | 24 | -4 | 0 | 0 | 0 | 110.2 | T404 | P402-T404 PolarHBondContact O-N 2.74Š| ||
| 403 | K | 44.6 | Very low | 44.9 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -50.7 | 137 | 162.2 | -68.2 | 173.5 | 175.8 | 177.3 | 0 | 110.6 | ||||
| 404 | T | 34.3 | Very low | 43.2 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 154.8 | 149.7 | 15.7 | 0 | 0 | 0 | 0 | 110.4 | P402 | P402-T404 PolarHBondContact O-N 2.74Š| ||
| 405 | P | 39.9 | Very low | 42 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -101.9 | 166.7 | -137.2 | 36.8 | -27.2 | 0 | 0 | 0 | 113.3 | ||||
| 406 | S | 34.9 | Very low | 40.9 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -53.6 | 140.4 | 168.5 | -51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 407 | P | 46.9 | Very low | 40.3 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 100% | 1.273 | 83% | 0.831 | S | S | * | * | trans | -88.7 | 0 | 131.7 | 0.4 | 19.2 | 0 | 0 | 0 | 110.9 |
Retrieved 407 of 407 residues in 396.7 ms
(Link to these results)