| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 39.5 | Very low | 239 Ų | 239 | 145.4 Ų | 145.4 | 100% | 1.177 | 83% | 0.833 | S | S | * | * | 0 | 108.2 | 0 | -76.7 | -71.3 | 152.4 | 0 | 0 | 108 | |||||
| 2 | P | 40.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | -136.4 | 162 | 123.5 | 36.6 | -24 | 0 | 0 | 0 | 109.5 | |||||
| 3 | G | 38.3 | Very low | 38.6 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | cis | 165.2 | 113 | 4.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | A5 | G3-A5 PolarHBondContact O-N 3.25Š| ||
| 4 | R | 42.2 | Very low | 38.3 | Very low | 254 Ų | 254 | 137.6 Ų | 137.6 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -67.8 | 114.3 | -175.7 | -80 | 171.7 | 148.8 | 177.5 | -5.5 | 110.7 | S6 | R4-S6 PolarHBondContact O-N 3.36Š| ||
| 5 | A | 43.1 | Very low | 37.9 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | -80.4 | 105 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G3 F7 | G3-A5 PolarHBondContact O-N 3.25Å; A5-F7 HydrophobicContact CB-CD2 4.43Å; A5-F7 HydrophobicContact CB-CE2 4.12Å; A5-F7 PolarHBondContact O-N 3.04Å | ||
| 6 | S | 43 | Very low | 37.5 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -78.6 | 102.5 | 173.1 | -170 | 0 | 0 | 0 | 0 | 108.9 | R4 A8 | R4-S6 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact O-N 3.14Å | ||
| 7 | F | 47.2 | Very low | 37.2 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -92.7 | 88.9 | 167 | -76.9 | -82.7 | 0 | 0 | 0 | 109.1 | A5 | A5-F7 HydrophobicContact CB-CD2 4.43Å; A5-F7 HydrophobicContact CB-CE2 4.12Å; A5-F7 PolarHBondContact O-N 3.04Å | ||
| 8 | A | 34.6 | Very low | 37.4 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -117.8 | 117 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | S6 | S6-A8 PolarHBondContact O-N 3.14Š| ||
| 9 | M | 41.2 | Very low | 37.1 | Very low | 169 Ų | 169 | 139 Ų | 139 | 83% | 0.833 | 82% | 0.823 | S | S | * | * | trans | 174.7 | 139 | 164.1 | -81.3 | -106.2 | -75.6 | 0 | 0 | 104.9 | ||||
| 10 | M | 33.1 | Very low | 37 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 77% | 0.768 | 82% | 0.821 | S | S | * | * | cis | -158.1 | 150.6 | 5.6 | -102.1 | -76.5 | -168.2 | 0 | 0 | 106.8 | ||||
| 11 | A | 34.5 | Very low | 36.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -90.9 | 139.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | A | 37 | Very low | 36.8 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -153.9 | 117.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 13 | T | 30.8 | Very low | 36.3 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | 66.3 | 102.3 | 59.2 | 66.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 14 | A | 34.9 | Very low | 35.8 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -173.9 | 116.8 | 145 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 15 | K | 31.6 | Very low | 35.5 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | 74.4 | 108.1 | 53.5 | -159.2 | -178.9 | -170.7 | -176.3 | 0 | 113.6 | |||||
| 16 | A | 32.2 | Very low | 34.7 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 166.7 | 101.1 | 143 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 17 | L | 32.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | 54.9 | 107.8 | 93.3 | -63.8 | -179.2 | 0 | 0 | 0 | 114.4 | |||||
| 18 | S | 40.3 | Very low | 33.7 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -151.2 | 108.9 | 138.8 | -75.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 19 | L | 32.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 165.8 | 174.3 | -73.3 | 161.9 | 0 | 0 | 0 | 110.4 | ||||
| 20 | N | 34.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 81.6 | 113.8 | 147.5 | -113.1 | 7.1 | 0 | 0 | 0 | 116.9 | ||||
| 21 | V | 34.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | -179.5 | 111.5 | 101.5 | 156.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 22 | I | 35.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 50.7 | 117 | 137 | -48.3 | 179.3 | 0 | 0 | 0 | 120.3 | ||||
| 23 | P | 29.7 | Very low | 32 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -87.1 | 136.7 | 165 | 33.7 | -27.3 | 0 | 0 | 0 | 111.4 | ||||
| 24 | G | 27.6 | Very low | 32.2 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 136.7 | 99.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 25 | V | 34.8 | Very low | 32 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -171.4 | 109.1 | 130.7 | 143.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 26 | L | 26.8 | Very low | 32.1 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -70.3 | 144.4 | 155.3 | -85.7 | 151.2 | 0 | 0 | 0 | 108.4 | ||||
| 27 | P | 36.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -116 | 149 | 141.5 | 34.4 | -26.1 | 0 | 0 | 0 | 111 | ||||
| 28 | P | 32.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -96.7 | 162 | -179 | 38.2 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 29 | T | 28.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | 70.9 | 117.3 | 139.7 | 50 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 30 | Q | 28.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | 74.2 | 119.2 | 122 | -62 | -74.6 | 17.8 | 0 | 0 | 120.1 | |||||
| 31 | L | 32.7 | Very low | 31 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | -178.8 | 106 | 126 | -96 | 157.4 | 0 | 0 | 0 | 106.8 | |||||
| 32 | N | 27.1 | Very low | 31 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 37.6 | 117.3 | 96.1 | -74.2 | -13.2 | 0 | 0 | 0 | 114.1 | |||||
| 33 | A | 28.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 161.6 | 137.5 | 102.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 34 | I | 35.1 | Very low | 30.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 87.3 | 94.2 | 150.3 | -53 | 142.7 | 0 | 0 | 0 | 118.2 | ||||
| 35 | T | 30.6 | Very low | 31.6 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 28.6 | 115.3 | 118.1 | -48.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 36 | S | 33.4 | Very low | 31.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | -164.7 | 141.7 | 115.2 | -163.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 37 | H | 32 | Very low | 31.5 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 122.8 | 177 | -71.3 | -115.6 | 0 | 0 | 0 | 111.2 | ||||
| 38 | H | 36.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -147.9 | 102.5 | 143.9 | -89.9 | -46.2 | 0 | 0 | 0 | 110.5 | Y40 | H38-Y40 PolarHBondContact O-N 2.73Š| ||
| 39 | H | 29.3 | Very low | 31.2 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -62.4 | 110.2 | 155.9 | -85.2 | 57.1 | 0 | 0 | 0 | 108.4 | ||||
| 40 | Y | 24.8 | Very low | 31.7 | Very low | 211 Ų | 211 | 144.6 Ų | 144.6 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -137.1 | 111.2 | 145.2 | -91.1 | -79.9 | 0 | 0 | 0 | 107.8 | H38 S42 | H38-Y40 PolarHBondContact O-N 2.73Å; Y40-S42 PolarHBondContact O-N 3.1Å | ||
| 41 | G | 26.3 | Very low | 31.8 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -58.6 | 121 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 42 | S | 33.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -134.6 | 115.1 | 160.9 | -171.6 | 0 | 0 | 0 | 0 | 107.5 | Y40 N44 | Y40-S42 PolarHBondContact O-N 3.1Å; S42-N44 PolarHBondContact O-N 3.24Å | ||
| 43 | A | 30.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -69.4 | 113.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | N | 30.6 | Very low | 32.8 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -169 | 160.7 | 151.1 | -134.4 | -6.2 | 0 | 0 | 0 | 111.8 | S42 | S42-N44 PolarHBondContact O-N 3.24Š| ||
| 45 | P | 43.8 | Very low | 33 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | -109.2 | 148.5 | -77.7 | 27.6 | -14.6 | 0 | 0 | 0 | 111.2 | H47 | P45-H47 PolarHBondContact O-N 2.75Š| |||
| 46 | R | 31.2 | Very low | 33.2 | Very low | 250 Ų | 250 | 146 Ų | 146 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 101.2 | 175.1 | -69.1 | -176.6 | 174 | 135.7 | -0.6 | 110.2 | C48 | R46-C48 PolarHBondContact O-N 3.23Š| ||
| 47 | H | 29.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -49.6 | 100.4 | 159.5 | -164 | -105 | 0 | 0 | 0 | 109 | P45 E49 | P45-H47 PolarHBondContact O-N 2.75Å; H47-E49 VanDerWaalsContact C-N 3.28Å; H47-E49 IonicContact CE1-OE2 3.72Å; H47-E49 PolarHBondContact CE1-OE2 3.2Å; H47-E49 WeakPolarHBondContact ND1-CG 3.38Å; H47-E49 IonicContact ND1-OE2 3.88Å; H47-E49 PolarHBondContact ND1-OE2 2.9Å; H47-E49 PolarHBondContact O-N 2.86Å; H47-E49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | C | 28.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -81.2 | 80.4 | 170.5 | 47.8 | 0 | 0 | 0 | 0 | 109.3 | R46 H50 | R46-C48 PolarHBondContact O-N 3.23Å; C48-H50 PolarHBondContact O-N 2.82Å | ||
| 49 | E | 32.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -65.6 | 108.2 | 152.2 | -89.6 | 161.8 | 108.9 | 0 | 0 | 108.4 | H47 | H47-E49 VanDerWaalsContact C-N 3.28Å; H47-E49 IonicContact CE1-OE2 3.72Å; H47-E49 PolarHBondContact CE1-OE2 3.2Å; H47-E49 WeakPolarHBondContact ND1-CG 3.38Å; H47-E49 IonicContact ND1-OE2 3.88Å; H47-E49 PolarHBondContact ND1-OE2 2.9Å; H47-E49 PolarHBondContact O-N 2.86Å; H47-E49 VanDerWaalsContact O-N 3.1Å | ||
| 50 | H | 39.8 | Very low | 34.4 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | -142.7 | 94.6 | 156.3 | -95.3 | 86.6 | 0 | 0 | 0 | 110.7 | C48 | C48-H50 PolarHBondContact O-N 2.82Š| ||
| 51 | N | 31 | Very low | 35.5 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 70.1 | 106.9 | 133.5 | -125.5 | -14.2 | 0 | 0 | 0 | 120.1 | S53 | N51-S53 PolarHBondContact O-N 2.79Š| ||
| 52 | K | 35.4 | Very low | 36.5 | Very low | 208 Ų | 208 | 125.3 Ų | 125.3 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -63.1 | 92 | 161.4 | -63.2 | 171.3 | -179.7 | 173.4 | 0 | 109 | ||||
| 53 | S | 35.8 | Very low | 37.2 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -96.9 | 120 | 157.7 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | N51 F55 | N51-S53 PolarHBondContact O-N 2.79Å; S53-F55 PolarHBondContact O-N 3.28Å | ||
| 54 | A | 39.2 | Very low | 38.2 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | -73.5 | 117.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | F | 39.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -152.6 | 87 | 134.1 | -138.1 | -93.3 | 0 | 0 | 0 | 109.4 | S53 | S53-F55 PolarHBondContact O-N 3.28Š| ||
| 56 | S | 33.2 | Very low | 40.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -61 | 129.5 | 160.3 | -61.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 57 | P | 43.5 | Very low | 42.3 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 71% | 0.714 | 68% | 0.679 | S | S | * | * | -109.3 | 121.6 | 91.4 | 31.9 | -30.1 | 0 | 0 | 0 | 107.6 | |||||
| 58 | G | 32.9 | Very low | 45 | Very low | 74 Ų | 74 | 115 Ų | 115 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | cis | 73.1 | 42.7 | 35.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 59 | A | 41.4 | Very low | 47.9 | Very low | 51 Ų | 51 | 110 Ų | 110 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | trans | -163 | 99.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | D61 | A59-D61 PolarHBondContact O-N 3.43Š| ||
| 60 | S | 38.5 | Very low | 50.7 | Low | 60 Ų | 60 | 106.6 Ų | 106.6 | 42% | 0.42 | 61% | 0.608 | S | S | . | * | trans | 13.4 | 94.5 | 154.6 | 44.6 | 0 | 0 | 0 | 0 | 114.9 | S62 E63 | S60-S62 PolarHBondContact O-N 3.24Å; S60-E63 PolarHBondContact O-N 2.88Å; S60-E63 PolarHBondContact OG-OE2 2.84Å | ||
| 61 | D | 49.2 | Very low | 53.3 | Low | 91 Ų | 91 | 100.2 Ų | 100.2 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.3 | -9.9 | 173.5 | -97.9 | -48.1 | 0 | 0 | 0 | 111.8 | A59 E65 K141 | A59-D61 PolarHBondContact O-N 3.43Å; D61-E65 VanDerWaalsContact O-CD 3.24Å; D61-E65 VanDerWaalsContact O-CG 3.24Å; D61-E65 WeakPolarHBondContact O-CG 3.25Å; D61-K141 IonicContact OD1-NZ 2.75Å; D61-K141 IonicContact OD2-NZ 3.7Å; D61-K141 PolarHBondContact OD2-NZ 3.42Å |
| 62 | S | 46.3 | Very low | 56.3 | Low | 94 Ų | 94 | 93.2 Ų | 93.2 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -28.7 | -179.4 | -47.6 | 0 | 0 | 0 | 0 | 115.6 | S60 | S60-S62 PolarHBondContact O-N 3.24Š|
| 63 | E | 49.9 | Very low | 59.1 | Low | 144 Ų | 144 | 87 Ų | 87 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -28.6 | -173.5 | -65 | -179.7 | 141.8 | 0 | 0 | 112.6 | S60 E65 S66 | S60-E63 PolarHBondContact O-N 2.88Å; S60-E63 PolarHBondContact OG-OE2 2.84Å; E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 3.47Å; E63-S66 PolarHBondContact O-OG 2.91Å |
| 64 | K | 50.7 | Low | 61.8 | Low | 144 Ų | 144 | 81.6 Ų | 81.6 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -80.7 | -7.4 | 174.6 | -70.2 | 177.3 | -175.8 | 161.3 | 0 | 113.5 | S66 | K64-S66 PolarHBondContact O-N 2.82Š|
| 65 | E | 55.5 | Low | 64.3 | Low | 96 Ų | 96 | 77.5 Ų | 77.5 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -69 | -21.9 | 174.8 | -84 | 176.2 | 157.9 | 0 | 0 | 113.2 | D61 E63 K67 K127 | D61-E65 VanDerWaalsContact O-CD 3.24Å; D61-E65 VanDerWaalsContact O-CG 3.24Å; D61-E65 WeakPolarHBondContact O-CG 3.25Å; E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 3.47Å; E65-K67 PolarHBondContact O-N 3.2Å; E65-K127 VanDerWaalsContact CG-NZ 3.35Å; E65-K127 IonicContact OE1-NZ 3.2Å; E65-K127 PolarHBondContact OE1-NZ 3.42Å |
| 66 | S | 60.1 | Low | 66.7 | Low | 108 Ų | 108 | 71.7 Ų | 71.7 | 76% | 0.755 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -67.1 | -18.3 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | E63 K64 | E63-S66 PolarHBondContact O-OG 2.91Å; K64-S66 PolarHBondContact O-N 2.82Å |
| 67 | K | 76 | Confident | 69.5 | Low | 123 Ų | 123 | 66.8 Ų | 66.8 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -116.7 | 62.2 | -176.1 | -127.7 | 171.7 | -171.4 | -74.3 | 0 | 111.3 | E65 T69 V147 | E65-K67 PolarHBondContact O-N 3.2Å; K67-T69 PolarHBondContact O-N 3.22Å; K67-V147 HydrophobicContact CB-CG2 3.75Å; K67-V147 HydrophobicContact CD-CB 3.93Å; K67-V147 HydrophobicContact CD-CG1 4.23Å; K67-V147 HydrophobicContact CD-CG2 3.5Å; K67-V147 HydrophobicContact CG-CB 4.43Å; K67-V147 HydrophobicContact CG-CG2 3.62Å |
| 68 | A | 85.6 | Confident | 71.7 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | trans | -53.7 | 127.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V120 Y144 | A68-V120 HydrophobicContact CB-CG1 3.61Å; A68-Y144 HydrophobicContact CB-CD1 4.32Å; A68-Y144 HydrophobicContact CB-CE1 3.85Å; A68-Y144 HydrophobicContact CB-CE2 4.13Å | ||
| 69 | T | 90.8 | Very high | 74.3 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | trans | -122.2 | 160.1 | 177.1 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | K67 T71 A123 G145 V147 | K67-T69 PolarHBondContact O-N 3.22Å; T69-T71 PolarHBondContact O-N 3.39Å; T69-T71 PolarHBondContact OG1-O 3.23Å; T69-A123 WeakPolarHBondContact O-CB 3.36Å; T69-G145 PolarHBondContact OG1-N 3.31Å; T69-G145 PolarHBondContact OG1-O 3.41Å; T69-V147 HydrophobicContact CG2-CB 4.14Å; T69-V147 HydrophobicContact CG2-CG1 4.1Å; T69-V147 HydrophobicContact CG2-CG2 3.38Å | ||
| 70 | R | 91.7 | Very high | 76.5 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -61.8 | -21.1 | 171.1 | -68.3 | -164.4 | -70.2 | 153.7 | 2.4 | 113.1 | E97 F117 R118 V120 | R70-E97 IonicContact NH1-OE2 2.78Å; R70-F117 WeakPolarHBondContact CB-O 3.31Å; R70-F117 PolarHBondContact O-N 3.18Å; R70-R118 WeakPolarHBondContact CD-O 3.45Å; R70-V120 HydrophobicContact CG-CG2 3.6Å |
| 71 | T | 93 | Very high | 79 | Confident | 43 Ų | 43 | 63 Ų | 63 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.6 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | T69 V115 H116 G145 | T69-T71 PolarHBondContact O-N 3.39Å; T69-T71 PolarHBondContact OG1-O 3.23Å; T71-V115 CarbonylContact C-O 3.46Å; T71-V115 WeakPolarHBondContact CA-O 3.35Å; T71-H116 PolarHBondContact OG1-ND1 3.35Å; T71-G145 WeakPolarHBondContact O-CA 3.3Å; T71-G145 PolarHBondContact O-N 2.88Å |
| 72 | L | 94.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.1 | 164.5 | -71.3 | -170.9 | 0 | 0 | 0 | 110.6 | F90 S114 V115 F117 A123 A126 K127 Y144 | L72-F90 HydrophobicContact CD1-CE1 4.39Å; L72-S114 CarbonylContact O-C 3.59Å; L72-S114 VanDerWaalsContact O-CA 3.3Å; L72-S114 WeakPolarHBondContact O-CA 3.35Å; L72-V115 PolarHBondContact N-O 3.34Å; L72-V115 PolarHBondContact O-N 3.37Å; L72-F117 HydrophobicContact CB-CE2 4.39Å; L72-F117 HydrophobicContact CD1-CE2 3.8Å; L72-F117 HydrophobicContact CG-CD2 4.38Å; L72-F117 HydrophobicContact CG-CE2 4.04Å; L72-A123 WeakPolarHBondContact CD1-O 3.3Å; L72-A123 HydrophobicContact CD2-CB 4.21Å; L72-A123 HydrophobicContact CG-CB 4.01Å; L72-A126 HydrophobicContact CD1-CB 3.78Å; L72-K127 HydrophobicContact CD1-CB 4.31Å; L72-K127 HydrophobicContact CD2-CB 4.19Å; L72-Y144 HydrophobicContact CD2-CD1 3.76Å; L72-Y144 HydrophobicContact CD2-CE1 4.04Å |
| 73 | F | 94 | Very high | 83.3 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.8 | 166.6 | -176.8 | -92.4 | 0 | 0 | 0 | 109.3 | Y112 K142 S143 | F73-Y112 HydrophobicContact CD2-CD2 4.35Å; F73-Y112 AromaticContact CE2-CD2 3.28Å; F73-Y112 HydrophobicContact CE2-CD2 3.28Å; F73-Y112 AromaticContact CE2-CE2 3.85Å; F73-Y112 HydrophobicContact CE2-CE2 3.85Å; F73-Y112 AromaticContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CZ-CD1 4.43Å; F73-Y112 AromaticContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CE2 4.33Å; F73-Y112 AromaticContact CZ-CG 3.63Å; F73-Y112 HydrophobicContact CZ-CG 3.63Å; F73-K142 WeakPolarHBondContact O-CA 3.43Å; F73-S143 PolarHBondContact N-O 3.41Å; F73-S143 PolarHBondContact O-N 2.86Å |
| 74 | V | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 106.2 | -176.6 | -171.3 | 0 | 0 | 0 | 0 | 108 | L77 F90 Y112 A113 V115 C140 K141 | V74-L77 HydrophobicContact CB-CD1 4.32Å; V74-L77 HydrophobicContact CG1-CD1 3.98Å; V74-L77 HydrophobicContact CG1-CD2 4.01Å; V74-L77 HydrophobicContact CG1-CG 4.16Å; V74-F90 HydrophobicContact CB-CE2 4.46Å; V74-F90 HydrophobicContact CB-CZ 4.35Å; V74-F90 HydrophobicContact CG1-CE2 4.11Å; V74-F90 HydrophobicContact CG1-CZ 3.99Å; V74-F90 HydrophobicContact CG2-CE1 4.26Å; V74-F90 HydrophobicContact CG2-CE2 3.68Å; V74-F90 HydrophobicContact CG2-CZ 3.4Å; V74-F90 VanDerWaalsContact CG2-CZ 3.4Å; V74-Y112 CarbonylContact O-C 3.54Å; V74-Y112 WeakPolarHBondContact O-CA 3.24Å; V74-Y112 WeakPolarHBondContact O-CB 3.29Å; V74-A113 HydrophobicContact CB-CB 4.41Å; V74-A113 PolarHBondContact N-O 3.26Å; V74-A113 PolarHBondContact O-N 3.37Å; V74-V115 HydrophobicContact CG2-CG2 4.12Å; V74-C140 HydrophobicContact CG1-CB 3.95Å; V74-K141 CarbonylContact C-O 3.55Å; V74-K141 WeakPolarHBondContact CA-O 3.05Å |
| 75 | G | 91.6 | Very high | 87.5 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C140 K141 | G75-C140 CarbonylContact O-C 3.53Å; G75-C140 VanDerWaalsContact O-CA 3.27Å; G75-C140 WeakPolarHBondContact O-CA 3.29Å; G75-C140 WeakPolarHBondContact O-CB 3.5Å; G75-K141 PolarHBondContact N-O 3.46Å; G75-K141 PolarHBondContact O-N 3.39Å |
| 76 | S | 90.6 | Very high | 89.3 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.2 | 47.2 | 179.8 | -53 | 0 | 0 | 0 | 0 | 113.3 | L138 H139 | S76-L138 WeakPolarHBondContact O-CB 3.43Å; S76-H139 WeakPolarHBondContact CB-O 3.33Å |
| 77 | L | 91.4 | Very high | 91 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 154 | 174.5 | -59.5 | 172.1 | 0 | 0 | 0 | 110.9 | V74 I81 V86 S111 A113 I135 C140 | V74-L77 HydrophobicContact CB-CD1 4.32Å; V74-L77 HydrophobicContact CG1-CD1 3.98Å; V74-L77 HydrophobicContact CG1-CD2 4.01Å; V74-L77 HydrophobicContact CG1-CG 4.16Å; L77-I81 HydrophobicContact CB-CB 4.34Å; L77-I81 HydrophobicContact CB-CG2 3.89Å; L77-I81 HydrophobicContact CD1-CG2 4.23Å; L77-V86 HydrophobicContact CD1-CG2 4.38Å; L77-S111 WeakPolarHBondContact CB-O 3.24Å; L77-S111 PolarHBondContact N-O 2.95Å; L77-S111 PolarHBondContact O-N 3.46Å; L77-A113 HydrophobicContact CD1-CB 3.71Å; L77-I135 HydrophobicContact CD2-CB 4.2Å; L77-I135 HydrophobicContact CD2-CD1 3.91Å; L77-I135 HydrophobicContact CD2-CG2 4.29Å; L77-C140 HydrophobicContact CD2-CB 3.86Å |
| 78 | E | 89.8 | Confident | 91.8 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -64.9 | 148.6 | 175.3 | -66.5 | 176.4 | -159.9 | 0 | 0 | 110.7 | D80 I81 S111 R136 S137 L138 | E78-D80 VanDerWaalsContact CB-OD1 3.25Å; E78-D80 WeakPolarHBondContact CB-OD1 3.4Å; E78-D80 PolarHBondContact O-N 3.02Å; E78-I81 WeakPolarHBondContact O-CB 3.48Å; E78-I81 WeakPolarHBondContact O-CG2 3.25Å; E78-I81 PolarHBondContact O-N 3.01Å; E78-I81 VanDerWaalsContact O-N 3.14Å; E78-S111 WeakPolarHBondContact O-CB 3.29Å; E78-R136 VanDerWaalsContact OE1-CB 3.3Å; E78-R136 WeakPolarHBondContact OE1-CB 3.19Å; E78-R136 WeakPolarHBondContact OE2-CD 3.33Å; E78-R136 IonicContact OE2-CZ 3.83Å; E78-R136 IonicContact OE2-NE 3.32Å; E78-R136 IonicContact OE2-NH1 3.66Å; E78-R136 PolarHBondContact OE2-NH1 2.9Å; E78-S137 PolarHBondContact OE1-N 3.3Å; E78-L138 HydrophobicContact CB-CD1 4.44Å; E78-L138 HydrophobicContact CG-CD1 3.58Å; E78-L138 HydrophobicContact CG-CG 3.88Å | ||
| 79 | P | 87.7 | Confident | 92.1 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.4 | -175.4 | 26.3 | -34.8 | 0 | 0 | 0 | 115.1 | R103 S111 | P79-R103 PolarHBondContact O-NE 3.09Å; P79-S111 WeakPolarHBondContact CA-OG 3.32Å |
| 80 | D | 87.7 | Confident | 92.3 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.5 | 178.2 | 68.8 | -36.4 | 0 | 0 | 0 | 113.1 | E78 T82 R136 | E78-D80 VanDerWaalsContact CB-OD1 3.25Å; E78-D80 WeakPolarHBondContact CB-OD1 3.4Å; E78-D80 PolarHBondContact O-N 3.02Å; D80-T82 PolarHBondContact O-N 3.28Å; D80-R136 IonicContact OD1-NH1 2.9Å; D80-R136 PolarHBondContact OD1-NH1 3.45Å; D80-R136 VanDerWaalsContact OD1-NH1 3.1Å; D80-R136 IonicContact OD2-CZ 3.34Å; D80-R136 IonicContact OD2-NH1 2.87Å; D80-R136 PolarHBondContact OD2-NH1 3.04Å; D80-R136 IonicContact OD2-NH2 2.79Å |
| 81 | I | 90.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | trans | -56 | 123.7 | -178.9 | -166.1 | 71.5 | 0 | 0 | 0 | 111.5 | L77 E78 E85 V86 N101 I135 | L77-I81 HydrophobicContact CB-CB 4.34Å; L77-I81 HydrophobicContact CB-CG2 3.89Å; L77-I81 HydrophobicContact CD1-CG2 4.23Å; E78-I81 WeakPolarHBondContact O-CB 3.48Å; E78-I81 WeakPolarHBondContact O-CG2 3.25Å; E78-I81 PolarHBondContact O-N 3.01Å; E78-I81 VanDerWaalsContact O-N 3.14Å; I81-E85 HydrophobicContact CD1-CB 3.7Å; I81-E85 HydrophobicContact CD1-CG 4.49Å; I81-E85 HydrophobicContact CG1-CB 4.44Å; I81-V86 HydrophobicContact CG1-CG2 3.74Å; I81-N101 PolarHBondContact O-ND2 2.79Å; I81-I135 HydrophobicContact CD1-CG2 3.71Å | ||
| 82 | T | 92.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 58 Ų | 58 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | trans | -88.1 | 155.6 | -179.1 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | D80 K84 E85 V86 | D80-T82 PolarHBondContact O-N 3.28Å; T82-K84 PolarHBondContact O-N 2.8Å; T82-E85 PolarHBondContact N-OE2 3.43Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact OG1-CG 3.31Å; T82-E85 WeakPolarHBondContact OG1-CG 3.48Å; T82-E85 PolarHBondContact OG1-N 3.18Å; T82-E85 PolarHBondContact OG1-OE2 3.01Å; T82-V86 PolarHBondContact O-N 3.14Å | ||
| 83 | K | 93.9 | Very high | 92.4 | Very high | 124 Ų | 124 | 59.3 Ų | 59.3 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.2 | -32.6 | 172.2 | -174.1 | 174.6 | 175.1 | -179.2 | 0 | 111.7 | L87 I99 N101 | K83-L87 VanDerWaalsContact O-CB 3.32Å; K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 2.91Å; K83-I99 HydrophobicContact CD-CB 4.25Å; K83-I99 WeakPolarHBondContact CE-O 3.32Å; K83-I99 HydrophobicContact CG-CB 3.84Å; K83-I99 HydrophobicContact CG-CD1 4.23Å; K83-I99 HydrophobicContact CG-CG2 3.93Å; K83-N101 PolarHBondContact N-ND2 2.83Å |
| 84 | K | 94.5 | Very high | 92.4 | Very high | 174 Ų | 174 | 56.5 Ų | 56.5 | 76% | 0.757 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 178.1 | -69 | -175.4 | 178.7 | 179.4 | 0 | 112.2 | T82 L87 S88 | T82-K84 PolarHBondContact O-N 2.8Å; K84-L87 WeakPolarHBondContact O-CB 3.47Å; K84-L87 PolarHBondContact O-N 2.94Å; K84-S88 WeakPolarHBondContact O-CB 3.35Å; K84-S88 PolarHBondContact O-N 3.05Å |
| 85 | E | 93 | Very high | 92.4 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 177.6 | -72.9 | 165.9 | 128.7 | 0 | 0 | 111.9 | I81 T82 L87 S88 A89 R136 | I81-E85 HydrophobicContact CD1-CB 3.7Å; I81-E85 HydrophobicContact CD1-CG 4.49Å; I81-E85 HydrophobicContact CG1-CB 4.44Å; T82-E85 PolarHBondContact N-OE2 3.43Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact OG1-CG 3.31Å; T82-E85 WeakPolarHBondContact OG1-CG 3.48Å; T82-E85 PolarHBondContact OG1-N 3.18Å; T82-E85 PolarHBondContact OG1-OE2 3.01Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-S88 PolarHBondContact O-N 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 3.43Å; E85-R136 IonicContact OE1-CZ 2.73Å; E85-R136 IonicContact OE1-NE 3.1Å; E85-R136 PolarHBondContact OE1-NE 3.39Å; E85-R136 IonicContact OE1-NH2 3.6Å; E85-R136 PolarHBondContact OE1-NH2 3Å; E85-R136 IonicContact OE2-NH2 3.58Å |
| 86 | V | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | L77 I81 T82 S88 A89 F90 I99 A113 V115 | L77-V86 HydrophobicContact CD1-CG2 4.38Å; I81-V86 HydrophobicContact CG1-CG2 3.74Å; T82-V86 PolarHBondContact O-N 3.14Å; V86-S88 PolarHBondContact O-N 3.16Å; V86-A89 PolarHBondContact O-N 3.31Å; V86-F90 HydrophobicContact CG1-CD2 3.78Å; V86-F90 HydrophobicContact CG1-CE2 4.1Å; V86-F90 VanDerWaalsContact O-CD2 3.24Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å; V86-F90 PolarHBondContact O-N 3.34Å; V86-F90 VanDerWaalsContact O-N 3.16Å; V86-I99 HydrophobicContact CB-CG2 4.21Å; V86-I99 HydrophobicContact CG1-CD1 4.29Å; V86-I99 HydrophobicContact CG1-CG2 3.86Å; V86-A113 HydrophobicContact CG1-CB 4.1Å; V86-A113 HydrophobicContact CG2-CB 4.14Å; V86-V115 HydrophobicContact CG1-CG2 3.66Å |
| 87 | L | 94.7 | Very high | 92.8 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 176.8 | -177 | 63.4 | 0 | 0 | 0 | 111.1 | K83 K84 E85 A89 F90 E91 V96 I99 | K83-L87 VanDerWaalsContact O-CB 3.32Å; K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 2.91Å; K84-L87 WeakPolarHBondContact O-CB 3.47Å; K84-L87 PolarHBondContact O-N 2.94Å; E85-L87 VanDerWaalsContact C-N 3.33Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.16Å; L87-F90 PolarHBondContact O-N 3.03Å; L87-E91 HydrophobicContact CD1-CB 4.17Å; L87-E91 HydrophobicContact CG-CB 4.42Å; L87-E91 VanDerWaalsContact O-CB 3.24Å; L87-E91 WeakPolarHBondContact O-CB 3.05Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.77Å; L87-V96 HydrophobicContact CD1-CB 3.88Å; L87-V96 HydrophobicContact CD1-CG1 4.23Å; L87-V96 HydrophobicContact CD1-CG2 4.23Å; L87-I99 HydrophobicContact CB-CD1 3.55Å; L87-I99 HydrophobicContact CD1-CD1 3.8Å; L87-I99 HydrophobicContact CG-CD1 4.26Å |
| 88 | S | 93.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | -178.8 | -169.5 | 0 | 0 | 0 | 0 | 113.2 | K84 E85 V86 E91 | K84-S88 WeakPolarHBondContact O-CB 3.35Å; K84-S88 PolarHBondContact O-N 3.05Å; E85-S88 PolarHBondContact O-N 3.28Å; V86-S88 PolarHBondContact O-N 3.16Å; S88-E91 WeakPolarHBondContact CA-OE1 3.38Å |
| 89 | A | 92.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 70 Ų | 70 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E85 V86 L87 Y93 I135 | E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 3.43Å; V86-A89 PolarHBondContact O-N 3.31Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.16Å; A89-Y93 VanDerWaalsContact O-CE2 3.29Å; A89-Y93 WeakPolarHBondContact O-CE2 3.5Å; A89-I135 HydrophobicContact CB-CD1 3.91Å; A89-I135 HydrophobicContact CB-CG1 4.07Å |
| 90 | F | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -105.6 | -25.3 | -169.6 | -76.2 | -74.1 | 0 | 0 | 0 | 115 | L72 V74 V86 L87 R92 Y93 V96 V115 F117 A126 M130 I135 K142 | L72-F90 HydrophobicContact CD1-CE1 4.39Å; V74-F90 HydrophobicContact CB-CE2 4.46Å; V74-F90 HydrophobicContact CB-CZ 4.35Å; V74-F90 HydrophobicContact CG1-CE2 4.11Å; V74-F90 HydrophobicContact CG1-CZ 3.99Å; V74-F90 HydrophobicContact CG2-CE1 4.26Å; V74-F90 HydrophobicContact CG2-CE2 3.68Å; V74-F90 HydrophobicContact CG2-CZ 3.4Å; V74-F90 VanDerWaalsContact CG2-CZ 3.4Å; V86-F90 HydrophobicContact CG1-CD2 3.78Å; V86-F90 HydrophobicContact CG1-CE2 4.1Å; V86-F90 VanDerWaalsContact O-CD2 3.24Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å; V86-F90 PolarHBondContact O-N 3.34Å; V86-F90 VanDerWaalsContact O-N 3.16Å; L87-F90 PolarHBondContact O-N 3.03Å; F90-R92 PolarHBondContact O-N 2.77Å; F90-Y93 PolarHBondContact O-N 2.79Å; F90-Y93 VanDerWaalsContact O-N 3.08Å; F90-V96 HydrophobicContact CB-CG2 4.27Å; F90-V115 HydrophobicContact CB-CG1 4.28Å; F90-V115 HydrophobicContact CD2-CG2 4.03Å; F90-V115 HydrophobicContact CE2-CG2 4.32Å; F90-V115 HydrophobicContact CG-CG1 4.44Å; F90-V115 HydrophobicContact CG-CG2 4.42Å; F90-F117 HydrophobicContact CB-CZ 3.96Å; F90-F117 AromaticContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CG-CZ 4.32Å; F90-A126 HydrophobicContact CD1-CB 4.1Å; F90-M130 HydrophobicContact CE1-CB 4.36Å; F90-M130 HydrophobicContact CE1-CG 4.25Å; F90-M130 HydrophobicContact CZ-CG 4.35Å; F90-I135 HydrophobicContact CE2-CD1 3.95Å; F90-I135 HydrophobicContact CZ-CD1 4.48Å; F90-K142 HydrophobicContact CZ-CG 4.36Å |
| 91 | E | 94.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -61.7 | -26.8 | -176.8 | 68.7 | -174.6 | 160.6 | 0 | 0 | 113 | L87 S88 Y93 G94 | L87-E91 HydrophobicContact CD1-CB 4.17Å; L87-E91 HydrophobicContact CG-CB 4.42Å; L87-E91 VanDerWaalsContact O-CB 3.24Å; L87-E91 WeakPolarHBondContact O-CB 3.05Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.77Å; S88-E91 WeakPolarHBondContact CA-OE1 3.38Å; E91-Y93 PolarHBondContact O-N 2.87Å; E91-G94 CarbonylContact C-O 3.59Å; E91-G94 PolarHBondContact O-N 2.81Å |
| 92 | R | 93.3 | Very high | 93.8 | Very high | 190 Ų | 190 | 73.5 Ų | 73.5 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -66.2 | -18.9 | 177.1 | 74.2 | -168.5 | -41.1 | -161.6 | 7 | 114.4 | F90 | F90-R92 PolarHBondContact O-N 2.77Š|
| 93 | Y | 93.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 78.8 Ų | 78.8 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -98.3 | -14.1 | -178.8 | -55.3 | -62.2 | 0 | 0 | 0 | 112.8 | A89 F90 E91 A126 M130 | A89-Y93 VanDerWaalsContact O-CE2 3.29Å; A89-Y93 WeakPolarHBondContact O-CE2 3.5Å; F90-Y93 PolarHBondContact O-N 2.79Å; F90-Y93 VanDerWaalsContact O-N 3.08Å; E91-Y93 PolarHBondContact O-N 2.87Å; Y93-A126 HydrophobicContact CD2-CB 4.02Å; Y93-A126 HydrophobicContact CG-CB 4.12Å; Y93-M130 HydrophobicContact CE2-CB 4.35Å; Y93-M130 HydrophobicContact CE2-SD 4.05Å |
| 94 | G | 93.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 74.4 Ų | 74.4 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 164.4 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E91 V96 | E91-G94 CarbonylContact C-O 3.59Å; E91-G94 PolarHBondContact O-N 2.81Å; G94-V96 PolarHBondContact O-N 3.1Å |
| 95 | Y | 94.3 | Very high | 92.7 | Very high | 131 Ų | 131 | 72 Ų | 72 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | trans | -76.3 | 118.3 | -179.3 | -170.8 | -96.5 | 0 | 0 | 0 | 111.2 | E97 F117 R118 M122 | Y95-E97 HydrophobicContact CD1-CG 3.88Å; Y95-E97 HydrophobicContact CE1-CG 3.96Å; Y95-F117 WeakPolarHBondContact O-CA 3.17Å; Y95-R118 HydrophobicContact CD1-CB 4.2Å; Y95-R118 PolarHBondContact O-N 3.43Å; Y95-M122 PolarHBondContact N-SD 2.91Å | ||
| 96 | V | 95.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 75.1 Ų | 75.1 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.6 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | L87 F90 G94 I99 V115 F117 | L87-V96 HydrophobicContact CD1-CB 3.88Å; L87-V96 HydrophobicContact CD1-CG1 4.23Å; L87-V96 HydrophobicContact CD1-CG2 4.23Å; F90-V96 HydrophobicContact CB-CG2 4.27Å; G94-V96 PolarHBondContact O-N 3.1Å; V96-I99 HydrophobicContact CG1-CD1 3.87Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; V96-V115 HydrophobicContact CB-CG1 4.43Å; V96-V115 HydrophobicContact CG1-CG1 3.63Å; V96-V115 HydrophobicContact CG2-CG1 3.92Å; V96-F117 HydrophobicContact CG2-CD1 4.11Å; V96-F117 HydrophobicContact CG2-CE1 3.74Å; V96-F117 HydrophobicContact CG2-CZ 4.22Å |
| 97 | E | 93.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 81.5 Ų | 81.5 | 43% | 0.425 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -38 | 179.7 | -60.7 | -170.7 | 148.4 | 0 | 0 | 111.9 | R70 Y95 H116 R118 | R70-E97 IonicContact NH1-OE2 2.78Å; Y95-E97 HydrophobicContact CD1-CG 3.88Å; Y95-E97 HydrophobicContact CE1-CG 3.96Å; E97-H116 PolarHBondContact N-O 3.23Å; E97-H116 IonicContact OE2-CD2 3.86Å; E97-H116 PolarHBondContact OE2-CD2 3.18Å; E97-H116 VanDerWaalsContact OE2-CD2 3.32Å; E97-H116 IonicContact OE2-NE2 3.93Å; E97-R118 HydrophobicContact CG-CB 4.2Å; E97-R118 WeakPolarHBondContact OE1-CG 3.45Å; E97-R118 IonicContact OE1-NE 2.9Å |
| 98 | Q | 94.2 | Very high | 90.9 | Very high | 125 Ų | 125 | 82.7 Ų | 82.7 | 58% | 0.584 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 140.9 | -177.5 | -162.4 | -179.9 | 35 | 0 | 0 | 111 | H116 | Q98-H116 HydrophobicContact CB-CB 3.88Å; Q98-H116 PolarHBondContact N-O 3.08Å; Q98-H116 PolarHBondContact O-N 3.32Å |
| 99 | I | 95.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 5% | 0.051 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.4 | 168.2 | -57 | 169 | 0 | 0 | 0 | 107.7 | K83 V86 L87 V96 N101 S114 V115 | K83-I99 HydrophobicContact CD-CB 4.25Å; K83-I99 WeakPolarHBondContact CE-O 3.32Å; K83-I99 HydrophobicContact CG-CB 3.84Å; K83-I99 HydrophobicContact CG-CD1 4.23Å; K83-I99 HydrophobicContact CG-CG2 3.93Å; V86-I99 HydrophobicContact CB-CG2 4.21Å; V86-I99 HydrophobicContact CG1-CD1 4.29Å; V86-I99 HydrophobicContact CG1-CG2 3.86Å; L87-I99 HydrophobicContact CB-CD1 3.55Å; L87-I99 HydrophobicContact CD1-CD1 3.8Å; L87-I99 HydrophobicContact CG-CD1 4.26Å; V96-I99 HydrophobicContact CG1-CD1 3.87Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; I99-N101 VanDerWaalsContact CG2-OD1 3.25Å; I99-N101 WeakPolarHBondContact CG2-OD1 3.27Å; I99-S114 WeakPolarHBondContact CA-O 3.36Å; I99-V115 HydrophobicContact CG1-CG1 4.38Å |
| 100 | N | 94.5 | Very high | 90.3 | Very high | 89 Ų | 89 | 83.2 Ų | 83.2 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.4 | 175.1 | 171.2 | 54.5 | 0 | 0 | 0 | 109.8 | A113 S114 | N100-A113 CarbonylContact O-C 3.54Å; N100-A113 WeakPolarHBondContact O-CA 3.3Å; N100-S114 WeakPolarHBondContact CB-OG 3.15Å; N100-S114 PolarHBondContact N-O 3.07Å; N100-S114 PolarHBondContact ND2-OG 2.79Å; N100-S114 PolarHBondContact O-N 3.28Å; N100-S114 PolarHBondContact O-OG 2.93Å |
| 101 | N | 93.4 | Very high | 90.1 | Very high | 49 Ų | 49 | 83.4 Ų | 83.4 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.3 | 179 | -67.7 | 12.8 | 0 | 0 | 0 | 109 | I81 K83 I99 A113 | I81-N101 PolarHBondContact O-ND2 2.79Å; K83-N101 PolarHBondContact N-ND2 2.83Å; I99-N101 VanDerWaalsContact CG2-OD1 3.25Å; I99-N101 WeakPolarHBondContact CG2-OD1 3.27Å; N101-A113 WeakPolarHBondContact OD1-CB 3.32Å |
| 102 | K | 91.8 | Very high | 90.1 | Very high | 114 Ų | 114 | 81.1 Ų | 81.1 | 50% | 0.496 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.3 | 176.5 | -179.3 | 164.8 | 169.7 | -175.6 | 0 | 109.9 | Y112 | K102-Y112 HydrophobicContact CB-CD2 4.09Å; K102-Y112 HydrophobicContact CB-CE1 4.28Å; K102-Y112 HydrophobicContact CB-CE2 3.55Å; K102-Y112 HydrophobicContact CD-CE2 4.01Å; K102-Y112 WeakPolarHBondContact CD-OH 3.4Å; K102-Y112 WeakPolarHBondContact CE-OH 3.34Å; K102-Y112 HydrophobicContact CG-CE1 4.08Å; K102-Y112 HydrophobicContact CG-CE2 3.89Å; K102-Y112 VanDerWaalsContact CG-CZ 3.49Å; K102-Y112 WeakPolarHBondContact CG-OH 3.48Å; K102-Y112 PolarHBondContact N-O 2.7Å; K102-Y112 WeakPolarHBondContact O-CD1 3.38Å; K102-Y112 PolarHBondContact O-N 2.71Å |
| 103 | R | 88.5 | Confident | 90.1 | Very high | 175 Ų | 175 | 72 Ų | 72 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 142.5 | 174.7 | -60.7 | -171.7 | 177.7 | 142.1 | 2.4 | 109.3 | P79 S111 | P79-R103 PolarHBondContact O-NE 3.09Å; R103-S111 WeakPolarHBondContact CG-OG 3.49Å |
| 104 | S | 85.4 | Confident | 90.2 | Very high | 33 Ų | 33 | 72.2 Ų | 72.2 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | trans | -61.2 | 139.3 | 169 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | K106 L110 | S104-K106 PolarHBondContact O-N 3.5Å; S104-K106 PolarHBondContact OG-N 3.28Å; S104-L110 WeakPolarHBondContact CB-O 3.15Å; S104-L110 PolarHBondContact N-O 3.43Å | ||
| 105 | P | 82.4 | Confident | 90.3 | Very high | 122 Ų | 122 | 71.3 Ų | 71.3 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -68.9 | -11.8 | 177.1 | 27.8 | -34.4 | 0 | 0 | 0 | 113 | ||
| 106 | K | 83.8 | Confident | 90.3 | Very high | 122 Ų | 122 | 67 Ų | 67 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -75.7 | 135.6 | 177.9 | -64.2 | -176.8 | 179.9 | -179.6 | 0 | 110.2 | S104 G108 G109 | S104-K106 PolarHBondContact O-N 3.5Å; S104-K106 PolarHBondContact OG-N 3.28Å; K106-G108 PolarHBondContact O-N 2.8Å; K106-G109 WeakPolarHBondContact O-CA 3.43Å; K106-G109 PolarHBondContact O-N 3.35Å |
| 107 | P | 80 | Confident | 90.2 | Very high | 134 Ų | 134 | 66 Ų | 66 | 87% | 0.87 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 130.8 | 172.1 | 25.9 | -32.7 | 0 | 0 | 0 | 109.6 | G109 | P107-G109 PolarHBondContact O-N 3.36Š|
| 108 | G | 80.9 | Confident | 90.1 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 91% | 0.907 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 8.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K106 | K106-G108 PolarHBondContact O-N 2.8Š|
| 109 | G | 83.6 | Confident | 89.7 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 143.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K106 P107 | K106-G109 WeakPolarHBondContact O-CA 3.43Å; K106-G109 PolarHBondContact O-N 3.35Å; P107-G109 PolarHBondContact O-N 3.36Å |
| 110 | L | 88.7 | Confident | 89.5 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 147 | 173.8 | -57.4 | 176.7 | 0 | 0 | 0 | 110.9 | S104 L138 | S104-L110 WeakPolarHBondContact CB-O 3.15Å; S104-L110 PolarHBondContact N-O 3.43Å; L110-L138 HydrophobicContact CD2-CD1 3.85Å |
| 111 | S | 91.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 164 | 171.8 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | L77 E78 P79 R103 | L77-S111 WeakPolarHBondContact CB-O 3.24Å; L77-S111 PolarHBondContact N-O 2.95Å; L77-S111 PolarHBondContact O-N 3.46Å; E78-S111 WeakPolarHBondContact O-CB 3.29Å; P79-S111 WeakPolarHBondContact CA-OG 3.32Å; R103-S111 WeakPolarHBondContact CG-OG 3.49Å |
| 112 | Y | 92.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.5 | 174.7 | 57.9 | -90.2 | 0 | 0 | 0 | 110.7 | F73 V74 K102 | F73-Y112 HydrophobicContact CD2-CD2 4.35Å; F73-Y112 AromaticContact CE2-CD2 3.28Å; F73-Y112 HydrophobicContact CE2-CD2 3.28Å; F73-Y112 AromaticContact CE2-CE2 3.85Å; F73-Y112 HydrophobicContact CE2-CE2 3.85Å; F73-Y112 AromaticContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CZ-CD1 4.43Å; F73-Y112 AromaticContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CE2 4.33Å; F73-Y112 AromaticContact CZ-CG 3.63Å; F73-Y112 HydrophobicContact CZ-CG 3.63Å; V74-Y112 CarbonylContact O-C 3.54Å; V74-Y112 WeakPolarHBondContact O-CA 3.24Å; V74-Y112 WeakPolarHBondContact O-CB 3.29Å; K102-Y112 HydrophobicContact CB-CD2 4.09Å; K102-Y112 HydrophobicContact CB-CE1 4.28Å; K102-Y112 HydrophobicContact CB-CE2 3.55Å; K102-Y112 HydrophobicContact CD-CE2 4.01Å; K102-Y112 WeakPolarHBondContact CD-OH 3.4Å; K102-Y112 WeakPolarHBondContact CE-OH 3.34Å; K102-Y112 HydrophobicContact CG-CE1 4.08Å; K102-Y112 HydrophobicContact CG-CE2 3.89Å; K102-Y112 VanDerWaalsContact CG-CZ 3.49Å; K102-Y112 WeakPolarHBondContact CG-OH 3.48Å; K102-Y112 PolarHBondContact N-O 2.7Å; K102-Y112 WeakPolarHBondContact O-CD1 3.38Å; K102-Y112 PolarHBondContact O-N 2.71Å |
| 113 | A | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V74 L77 V86 N100 N101 | V74-A113 HydrophobicContact CB-CB 4.41Å; V74-A113 PolarHBondContact N-O 3.26Å; V74-A113 PolarHBondContact O-N 3.37Å; L77-A113 HydrophobicContact CD1-CB 3.71Å; V86-A113 HydrophobicContact CG1-CB 4.1Å; V86-A113 HydrophobicContact CG2-CB 4.14Å; N100-A113 CarbonylContact O-C 3.54Å; N100-A113 WeakPolarHBondContact O-CA 3.3Å; N101-A113 WeakPolarHBondContact OD1-CB 3.32Å |
| 114 | S | 94.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126 | 168 | 44.6 | 0 | 0 | 0 | 0 | 108.1 | L72 I99 N100 | L72-S114 CarbonylContact O-C 3.59Å; L72-S114 VanDerWaalsContact O-CA 3.3Å; L72-S114 WeakPolarHBondContact O-CA 3.35Å; I99-S114 WeakPolarHBondContact CA-O 3.36Å; N100-S114 WeakPolarHBondContact CB-OG 3.15Å; N100-S114 PolarHBondContact N-O 3.07Å; N100-S114 PolarHBondContact ND2-OG 2.79Å; N100-S114 PolarHBondContact O-N 3.28Å; N100-S114 PolarHBondContact O-OG 2.93Å |
| 115 | V | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.4 | -175.1 | -176 | 0 | 0 | 0 | 0 | 107.7 | T71 L72 V74 V86 F90 V96 I99 F117 | T71-V115 CarbonylContact C-O 3.46Å; T71-V115 WeakPolarHBondContact CA-O 3.35Å; L72-V115 PolarHBondContact N-O 3.34Å; L72-V115 PolarHBondContact O-N 3.37Å; V74-V115 HydrophobicContact CG2-CG2 4.12Å; V86-V115 HydrophobicContact CG1-CG2 3.66Å; F90-V115 HydrophobicContact CB-CG1 4.28Å; F90-V115 HydrophobicContact CD2-CG2 4.03Å; F90-V115 HydrophobicContact CE2-CG2 4.32Å; F90-V115 HydrophobicContact CG-CG1 4.44Å; F90-V115 HydrophobicContact CG-CG2 4.42Å; V96-V115 HydrophobicContact CB-CG1 4.43Å; V96-V115 HydrophobicContact CG1-CG1 3.63Å; V96-V115 HydrophobicContact CG2-CG1 3.92Å; I99-V115 HydrophobicContact CG1-CG1 4.38Å; V115-F117 HydrophobicContact CB-CE2 4.14Å; V115-F117 HydrophobicContact CG1-CD2 4.09Å; V115-F117 HydrophobicContact CG1-CE2 3.53Å; V115-F117 HydrophobicContact CG1-CZ 3.83Å |
| 116 | H | 94.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 18% | 0.181 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.8 | 176.1 | -162.8 | 75.3 | 0 | 0 | 0 | 109.6 | T71 E97 Q98 | T71-H116 PolarHBondContact OG1-ND1 3.35Å; E97-H116 PolarHBondContact N-O 3.23Å; E97-H116 IonicContact OE2-CD2 3.86Å; E97-H116 PolarHBondContact OE2-CD2 3.18Å; E97-H116 VanDerWaalsContact OE2-CD2 3.32Å; E97-H116 IonicContact OE2-NE2 3.93Å; Q98-H116 HydrophobicContact CB-CB 3.88Å; Q98-H116 PolarHBondContact N-O 3.08Å; Q98-H116 PolarHBondContact O-N 3.32Å |
| 117 | F | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 155.1 | 174.1 | -71.2 | -89.4 | 0 | 0 | 0 | 111 | R70 L72 F90 Y95 V96 V115 N119 M122 A123 A126 | R70-F117 WeakPolarHBondContact CB-O 3.31Å; R70-F117 PolarHBondContact O-N 3.18Å; L72-F117 HydrophobicContact CB-CE2 4.39Å; L72-F117 HydrophobicContact CD1-CE2 3.8Å; L72-F117 HydrophobicContact CG-CD2 4.38Å; L72-F117 HydrophobicContact CG-CE2 4.04Å; F90-F117 HydrophobicContact CB-CZ 3.96Å; F90-F117 AromaticContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CG-CZ 4.32Å; Y95-F117 WeakPolarHBondContact O-CA 3.17Å; V96-F117 HydrophobicContact CG2-CD1 4.11Å; V96-F117 HydrophobicContact CG2-CE1 3.74Å; V96-F117 HydrophobicContact CG2-CZ 4.22Å; V115-F117 HydrophobicContact CB-CE2 4.14Å; V115-F117 HydrophobicContact CG1-CD2 4.09Å; V115-F117 HydrophobicContact CG1-CE2 3.53Å; V115-F117 HydrophobicContact CG1-CZ 3.83Å; F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.42Å; F117-M122 HydrophobicContact CB-CB 4.05Å; F117-M122 HydrophobicContact CD1-CB 3.82Å; F117-M122 HydrophobicContact CG-CB 4.16Å; F117-A123 HydrophobicContact CB-CB 4.25Å; F117-A123 HydrophobicContact CD2-CB 3.75Å; F117-A123 HydrophobicContact CE2-CB 4.47Å; F117-A123 HydrophobicContact CG-CB 4.21Å; F117-A126 HydrophobicContact CE1-CB 4.17Å; F117-A126 HydrophobicContact CE2-CB 3.98Å; F117-A126 HydrophobicContact CZ-CB 3.52Å |
| 118 | R | 90.7 | Very high | 91.5 | Very high | 99 Ų | 99 | 47.5 Ų | 47.5 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -58.6 | -43 | 174.1 | -171.4 | 177.9 | -71.2 | 179.1 | -0.4 | 112.6 | R70 Y95 E97 M122 | R70-R118 WeakPolarHBondContact CD-O 3.45Å; Y95-R118 HydrophobicContact CD1-CB 4.2Å; Y95-R118 PolarHBondContact O-N 3.43Å; E97-R118 HydrophobicContact CG-CB 4.2Å; E97-R118 WeakPolarHBondContact OE1-CG 3.45Å; E97-R118 IonicContact OE1-NE 2.9Å; R118-M122 HydrophobicContact CB-SD 4.15Å |
| 119 | N | 86.9 | Confident | 92 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -122.8 | 151.8 | -176.3 | -66.3 | 21.3 | 0 | 0 | 0 | 111.6 | F117 D121 M122 A123 | F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.42Å; N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.91Å; N119-M122 HydrophobicContact CB-CE 4.31Å; N119-M122 HydrophobicContact CB-CG 4.1Å; N119-M122 HydrophobicContact CB-SD 4.24Å; N119-M122 PolarHBondContact O-N 3.3Å; N119-A123 PolarHBondContact O-N 3.32Å |
| 120 | V | 90.5 | Very high | 92.2 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 33% | 0.327 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | A68 R70 M122 A123 S124 | A68-V120 HydrophobicContact CB-CG1 3.61Å; R70-V120 HydrophobicContact CG-CG2 3.6Å; V120-M122 VanDerWaalsContact C-N 3.31Å; V120-M122 PolarHBondContact O-N 2.9Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.24Å; V120-A123 VanDerWaalsContact O-N 3.14Å; V120-S124 PolarHBondContact O-N 3.27Å; V120-S124 PolarHBondContact O-OG 2.73Å; V120-S124 VanDerWaalsContact O-OG 3.14Å |
| 121 | D | 91 | Very high | 92.1 | Very high | 111 Ų | 111 | 44.6 Ų | 44.6 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.9 | -36.9 | 179.1 | -50.3 | -60.2 | 0 | 0 | 0 | 112.9 | N119 S124 R125 | N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.91Å; D121-S124 PolarHBondContact O-N 2.68Å; D121-R125 VanDerWaalsContact O-CB 3.3Å; D121-R125 WeakPolarHBondContact O-CB 3.44Å; D121-R125 PolarHBondContact O-N 3.14Å |
| 122 | M | 94.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 21% | 0.212 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.9 | -66.5 | 175.6 | -168.9 | 0 | 0 | 110.7 | Y95 F117 R118 N119 V120 A126 | Y95-M122 PolarHBondContact N-SD 2.91Å; F117-M122 HydrophobicContact CB-CB 4.05Å; F117-M122 HydrophobicContact CD1-CB 3.82Å; F117-M122 HydrophobicContact CG-CB 4.16Å; R118-M122 HydrophobicContact CB-SD 4.15Å; N119-M122 HydrophobicContact CB-CE 4.31Å; N119-M122 HydrophobicContact CB-CG 4.1Å; N119-M122 HydrophobicContact CB-SD 4.24Å; N119-M122 PolarHBondContact O-N 3.3Å; V120-M122 VanDerWaalsContact C-N 3.31Å; V120-M122 PolarHBondContact O-N 2.9Å; M122-A126 VanDerWaalsContact O-CB 3.29Å; M122-A126 WeakPolarHBondContact O-CB 3.44Å; M122-A126 PolarHBondContact O-N 3Å |
| 123 | A | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | T69 L72 F117 N119 V120 R125 A126 K127 | T69-A123 WeakPolarHBondContact O-CB 3.36Å; L72-A123 WeakPolarHBondContact CD1-O 3.3Å; L72-A123 HydrophobicContact CD2-CB 4.21Å; L72-A123 HydrophobicContact CG-CB 4.01Å; F117-A123 HydrophobicContact CB-CB 4.25Å; F117-A123 HydrophobicContact CD2-CB 3.75Å; F117-A123 HydrophobicContact CE2-CB 4.47Å; F117-A123 HydrophobicContact CG-CB 4.21Å; N119-A123 PolarHBondContact O-N 3.32Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.24Å; V120-A123 VanDerWaalsContact O-N 3.14Å; A123-R125 PolarHBondContact O-N 2.84Å; A123-A126 PolarHBondContact O-N 3.14Å; A123-K127 PolarHBondContact O-N 2.87Å |
| 124 | S | 93.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | V120 D121 A126 K127 M128 Y144 | V120-S124 PolarHBondContact O-N 3.27Å; V120-S124 PolarHBondContact O-OG 2.73Å; V120-S124 VanDerWaalsContact O-OG 3.14Å; D121-S124 PolarHBondContact O-N 2.68Å; S124-A126 PolarHBondContact O-N 3.31Å; S124-K127 PolarHBondContact O-N 3.28Å; S124-M128 VanDerWaalsContact O-CG 3.3Å; S124-M128 WeakPolarHBondContact O-CG 3.29Å; S124-M128 PolarHBondContact O-N 2.9Å; S124-Y144 PolarHBondContact OG-OH 2.85Å |
| 125 | R | 93 | Very high | 90.2 | Very high | 148 Ų | 148 | 56.8 Ų | 56.8 | 56% | 0.558 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 175.4 | -173.5 | -176.8 | -61.5 | 168.9 | -0.6 | 111.4 | D121 A123 K127 M128 S129 | D121-R125 VanDerWaalsContact O-CB 3.3Å; D121-R125 WeakPolarHBondContact O-CB 3.44Å; D121-R125 PolarHBondContact O-N 3.14Å; A123-R125 PolarHBondContact O-N 2.84Å; R125-K127 PolarHBondContact O-N 3.44Å; R125-M128 PolarHBondContact O-N 3.49Å; R125-S129 WeakPolarHBondContact O-CB 3.07Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.4Å; R125-S129 VanDerWaalsContact O-OG 3.11Å |
| 126 | A | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L72 F90 Y93 F117 M122 A123 S124 M130 | L72-A126 HydrophobicContact CD1-CB 3.78Å; F90-A126 HydrophobicContact CD1-CB 4.1Å; Y93-A126 HydrophobicContact CD2-CB 4.02Å; Y93-A126 HydrophobicContact CG-CB 4.12Å; F117-A126 HydrophobicContact CE1-CB 4.17Å; F117-A126 HydrophobicContact CE2-CB 3.98Å; F117-A126 HydrophobicContact CZ-CB 3.52Å; M122-A126 VanDerWaalsContact O-CB 3.29Å; M122-A126 WeakPolarHBondContact O-CB 3.44Å; M122-A126 PolarHBondContact O-N 3Å; A123-A126 PolarHBondContact O-N 3.14Å; S124-A126 PolarHBondContact O-N 3.31Å; A126-M130 WeakPolarHBondContact O-CB 3.45Å; A126-M130 PolarHBondContact O-N 2.83Å |
| 127 | K | 92.6 | Very high | 89.1 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.1 | -176.7 | -168.7 | 169.7 | -165.7 | 0 | 110.8 | E65 L72 A123 S124 R125 S131 K142 Y144 | E65-K127 VanDerWaalsContact CG-NZ 3.35Å; E65-K127 IonicContact OE1-NZ 3.2Å; E65-K127 PolarHBondContact OE1-NZ 3.42Å; L72-K127 HydrophobicContact CD1-CB 4.31Å; L72-K127 HydrophobicContact CD2-CB 4.19Å; A123-K127 PolarHBondContact O-N 2.87Å; S124-K127 PolarHBondContact O-N 3.28Å; R125-K127 PolarHBondContact O-N 3.44Å; K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 VanDerWaalsContact O-N 3.14Å; K127-S131 PolarHBondContact O-OG 3.29Å; K127-K142 HydrophobicContact CG-CB 4.4Å; K127-Y144 HydrophobicContact CD-CD2 4.49Å; K127-Y144 HydrophobicContact CD-CE1 4.29Å; K127-Y144 HydrophobicContact CD-CE2 3.92Å |
| 128 | M | 91.3 | Very high | 88.6 | Confident | 133 Ų | 133 | 67.5 Ų | 67.5 | 66% | 0.655 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.4 | -49.9 | -177.9 | -66.9 | 166.7 | -167.5 | 0 | 0 | 111.4 | S124 R125 M130 S131 | S124-M128 VanDerWaalsContact O-CG 3.3Å; S124-M128 WeakPolarHBondContact O-CG 3.29Å; S124-M128 PolarHBondContact O-N 2.9Å; R125-M128 PolarHBondContact O-N 3.49Å; M128-M130 PolarHBondContact O-N 3.27Å; M128-S131 PolarHBondContact O-N 3.34Å |
| 129 | S | 90.7 | Very high | 88.3 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.9 | -28.9 | -175.9 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | R125 | R125-S129 WeakPolarHBondContact O-CB 3.07Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.4Å; R125-S129 VanDerWaalsContact O-OG 3.11Å |
| 130 | M | 88.7 | Confident | 88.2 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.059 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -90.8 | -5.6 | 178.1 | -153.5 | 63 | -163.9 | 0 | 0 | 112.7 | F90 Y93 A126 M128 G132 R133 I135 K142 | F90-M130 HydrophobicContact CE1-CB 4.36Å; F90-M130 HydrophobicContact CE1-CG 4.25Å; F90-M130 HydrophobicContact CZ-CG 4.35Å; Y93-M130 HydrophobicContact CE2-CB 4.35Å; Y93-M130 HydrophobicContact CE2-SD 4.05Å; A126-M130 WeakPolarHBondContact O-CB 3.45Å; A126-M130 PolarHBondContact O-N 2.83Å; M128-M130 PolarHBondContact O-N 3.27Å; M130-G132 PolarHBondContact O-N 3Å; M130-R133 HydrophobicContact CE-CB 3.4Å; M130-R133 VanDerWaalsContact CE-CB 3.4Å; M130-R133 HydrophobicContact CE-CG 4.41Å; M130-R133 HydrophobicContact CG-CB 4.13Å; M130-R133 WeakPolarHBondContact O-CB 3.43Å; M130-R133 PolarHBondContact O-N 3.11Å; M130-R133 VanDerWaalsContact O-N 3.09Å; M130-R133 HydrophobicContact SD-CB 3.55Å; M130-R133 VanDerWaalsContact SD-CB 3.55Å; M130-R133 HydrophobicContact SD-CG 4.01Å; M130-I135 HydrophobicContact CE-CD1 4.3Å; M130-I135 HydrophobicContact CE-CG1 3.67Å; M130-K142 HydrophobicContact CB-CD 4.19Å; M130-K142 HydrophobicContact CG-CD 4.25Å; M130-K142 VanDerWaalsContact CG-CE 3.46Å; M130-K142 WeakPolarHBondContact O-CE 3.16Å; M130-K142 PolarHBondContact O-NZ 3.35Å |
| 131 | S | 85.4 | Confident | 88.2 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.5 | 172.3 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | K127 M128 R133 | K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 VanDerWaalsContact O-N 3.14Å; K127-S131 PolarHBondContact O-OG 3.29Å; M128-S131 PolarHBondContact O-N 3.34Å; S131-R133 PolarHBondContact O-N 3.24Å |
| 132 | G | 82.5 | Confident | 88.2 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -3.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M130 H139 | M130-G132 PolarHBondContact O-N 3Å; G132-H139 VanDerWaalsContact CA-NE2 3.29Å; G132-H139 WeakPolarHBondContact CA-NE2 3.42Å; G132-H139 PolarHBondContact N-NE2 3.28Å |
| 133 | R | 83.4 | Confident | 88.1 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 59% | 0.592 | 32% | 0.318 | S | S | * | . | trans | -93.7 | 143.1 | 178.8 | -60.4 | -67.9 | -179.4 | 172.5 | -3.8 | 111.8 | M130 S131 C140 K142 | M130-R133 HydrophobicContact CE-CB 3.4Å; M130-R133 VanDerWaalsContact CE-CB 3.4Å; M130-R133 HydrophobicContact CE-CG 4.41Å; M130-R133 HydrophobicContact CG-CB 4.13Å; M130-R133 WeakPolarHBondContact O-CB 3.43Å; M130-R133 PolarHBondContact O-N 3.11Å; M130-R133 VanDerWaalsContact O-N 3.09Å; M130-R133 HydrophobicContact SD-CB 3.55Å; M130-R133 VanDerWaalsContact SD-CB 3.55Å; M130-R133 HydrophobicContact SD-CG 4.01Å; S131-R133 PolarHBondContact O-N 3.24Å; R133-C140 PolarHBondContact O-SG 2.78Å; R133-K142 PolarHBondContact O-NZ 3.41Å | ||
| 134 | F | 83.8 | Confident | 88 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 142.3 | 176.2 | -58.8 | -95.2 | 0 | 0 | 0 | 110.1 | L138 H139 | F134-L138 WeakPolarHBondContact CA-O 3.45Å; F134-H139 HydrophobicContact CD1-CB 3.94Å; F134-H139 HydrophobicContact CE1-CB 3.69Å; F134-H139 HydrophobicContact CZ-CB 4.47Å |
| 135 | I | 84.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.5 | 160.9 | -69.3 | 170.6 | 0 | 0 | 0 | 104.6 | L77 I81 A89 F90 M130 S137 L138 C140 | L77-I135 HydrophobicContact CD2-CB 4.2Å; L77-I135 HydrophobicContact CD2-CD1 3.91Å; L77-I135 HydrophobicContact CD2-CG2 4.29Å; I81-I135 HydrophobicContact CD1-CG2 3.71Å; A89-I135 HydrophobicContact CB-CD1 3.91Å; A89-I135 HydrophobicContact CB-CG1 4.07Å; F90-I135 HydrophobicContact CE2-CD1 3.95Å; F90-I135 HydrophobicContact CZ-CD1 4.48Å; M130-I135 HydrophobicContact CE-CD1 4.3Å; M130-I135 HydrophobicContact CE-CG1 3.67Å; I135-S137 PolarHBondContact O-N 3.01Å; I135-L138 PolarHBondContact N-O 3.01Å; I135-L138 VanDerWaalsContact N-O 3.16Å; I135-L138 PolarHBondContact O-N 3.31Å; I135-C140 HydrophobicContact CD1-CB 4.38Å; I135-C140 VanDerWaalsContact CD1-SG 3.53Å; I135-C140 WeakPolarHBondContact CG1-SG 3.34Å |
| 136 | R | 85.4 | Confident | 87.5 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 44% | 0.438 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -124.7 | -169.6 | -57.3 | 173 | 136.8 | -156 | 4.8 | 110.9 | E78 D80 E85 | E78-R136 VanDerWaalsContact OE1-CB 3.3Å; E78-R136 WeakPolarHBondContact OE1-CB 3.19Å; E78-R136 WeakPolarHBondContact OE2-CD 3.33Å; E78-R136 IonicContact OE2-CZ 3.83Å; E78-R136 IonicContact OE2-NE 3.32Å; E78-R136 IonicContact OE2-NH1 3.66Å; E78-R136 PolarHBondContact OE2-NH1 2.9Å; D80-R136 IonicContact OD1-NH1 2.9Å; D80-R136 PolarHBondContact OD1-NH1 3.45Å; D80-R136 VanDerWaalsContact OD1-NH1 3.1Å; D80-R136 IonicContact OD2-CZ 3.34Å; D80-R136 IonicContact OD2-NH1 2.87Å; D80-R136 PolarHBondContact OD2-NH1 3.04Å; D80-R136 IonicContact OD2-NH2 2.79Å; E85-R136 IonicContact OE1-CZ 2.73Å; E85-R136 IonicContact OE1-NE 3.1Å; E85-R136 PolarHBondContact OE1-NE 3.39Å; E85-R136 IonicContact OE1-NH2 3.6Å; E85-R136 PolarHBondContact OE1-NH2 3Å; E85-R136 IonicContact OE2-NH2 3.58Å |
| 137 | S | 82.8 | Confident | 87.1 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -19.6 | -177.9 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | E78 I135 | E78-S137 PolarHBondContact OE1-N 3.3Å; I135-S137 PolarHBondContact O-N 3.01Å |
| 138 | L | 84.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.4 | -171.2 | -61.1 | -176.7 | 0 | 0 | 0 | 113.6 | S76 E78 L110 F134 I135 C140 | S76-L138 WeakPolarHBondContact O-CB 3.43Å; E78-L138 HydrophobicContact CB-CD1 4.44Å; E78-L138 HydrophobicContact CG-CD1 3.58Å; E78-L138 HydrophobicContact CG-CG 3.88Å; L110-L138 HydrophobicContact CD2-CD1 3.85Å; F134-L138 WeakPolarHBondContact CA-O 3.45Å; I135-L138 PolarHBondContact N-O 3.01Å; I135-L138 VanDerWaalsContact N-O 3.16Å; I135-L138 PolarHBondContact O-N 3.31Å; L138-C140 PolarHBondContact O-N 3.42Å |
| 139 | H | 83.8 | Confident | 86.2 | Confident | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 102.7 | 170.3 | -174.6 | -104.2 | 0 | 0 | 0 | 109.5 | S76 G132 F134 | S76-H139 WeakPolarHBondContact CB-O 3.33Å; G132-H139 VanDerWaalsContact CA-NE2 3.29Å; G132-H139 WeakPolarHBondContact CA-NE2 3.42Å; G132-H139 PolarHBondContact N-NE2 3.28Å; F134-H139 HydrophobicContact CD1-CB 3.94Å; F134-H139 HydrophobicContact CE1-CB 3.69Å; F134-H139 HydrophobicContact CZ-CB 4.47Å |
| 140 | C | 85.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | trans | -75.4 | 137.2 | -178.8 | 41.3 | 0 | 0 | 0 | 0 | 111.6 | V74 G75 L77 R133 I135 L138 K142 | V74-C140 HydrophobicContact CG1-CB 3.95Å; G75-C140 CarbonylContact O-C 3.53Å; G75-C140 VanDerWaalsContact O-CA 3.27Å; G75-C140 WeakPolarHBondContact O-CA 3.29Å; G75-C140 WeakPolarHBondContact O-CB 3.5Å; L77-C140 HydrophobicContact CD2-CB 3.86Å; R133-C140 PolarHBondContact O-SG 2.78Å; I135-C140 HydrophobicContact CD1-CB 4.38Å; I135-C140 VanDerWaalsContact CD1-SG 3.53Å; I135-C140 WeakPolarHBondContact CG1-SG 3.34Å; L138-C140 PolarHBondContact O-N 3.42Å; C140-K142 WeakPolarHBondContact O-CD 3.35Å; C140-K142 WeakPolarHBondContact O-CE 3.3Å; C140-K142 PolarHBondContact O-NZ 3.14Å; C140-K142 WeakPolarHBondContact SG-CE 3.24Å; C140-K142 PolarHBondContact SG-NZ 3.3Å | ||
| 141 | K | 89.4 | Confident | 85.8 | Confident | 101 Ų | 101 | 79.2 Ų | 79.2 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132 | 173.8 | -178 | 168.1 | -178.8 | 163.3 | 0 | 109.1 | D61 V74 G75 | D61-K141 IonicContact OD1-NZ 2.75Å; D61-K141 IonicContact OD2-NZ 3.7Å; D61-K141 PolarHBondContact OD2-NZ 3.42Å; V74-K141 CarbonylContact C-O 3.55Å; V74-K141 WeakPolarHBondContact CA-O 3.05Å; G75-K141 PolarHBondContact N-O 3.46Å; G75-K141 PolarHBondContact O-N 3.39Å |
| 142 | K | 90.7 | Very high | 86 | Confident | 15 Ų | 15 | 84.5 Ų | 84.5 | 7% | 0.065 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.1 | -179.9 | -58.4 | 90.9 | -169.9 | 177.9 | 0 | 109.6 | F73 F90 K127 M130 R133 C140 | F73-K142 WeakPolarHBondContact O-CA 3.43Å; F90-K142 HydrophobicContact CZ-CG 4.36Å; K127-K142 HydrophobicContact CG-CB 4.4Å; M130-K142 HydrophobicContact CB-CD 4.19Å; M130-K142 HydrophobicContact CG-CD 4.25Å; M130-K142 VanDerWaalsContact CG-CE 3.46Å; M130-K142 WeakPolarHBondContact O-CE 3.16Å; M130-K142 PolarHBondContact O-NZ 3.35Å; R133-K142 PolarHBondContact O-NZ 3.41Å; C140-K142 WeakPolarHBondContact O-CD 3.35Å; C140-K142 WeakPolarHBondContact O-CE 3.3Å; C140-K142 PolarHBondContact O-NZ 3.14Å; C140-K142 WeakPolarHBondContact SG-CE 3.24Å; C140-K142 PolarHBondContact SG-NZ 3.3Å |
| 143 | S | 92.1 | Very high | 86.3 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.8 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 110 | F73 | F73-S143 PolarHBondContact N-O 3.41Å; F73-S143 PolarHBondContact O-N 2.86Å |
| 144 | Y | 92.6 | Very high | 86.5 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 14% | 0.137 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 144.7 | 168.1 | -64.1 | -62.8 | 0 | 0 | 0 | 110.1 | A68 L72 S124 K127 | A68-Y144 HydrophobicContact CB-CD1 4.32Å; A68-Y144 HydrophobicContact CB-CE1 3.85Å; A68-Y144 HydrophobicContact CB-CE2 4.13Å; L72-Y144 HydrophobicContact CD2-CD1 3.76Å; L72-Y144 HydrophobicContact CD2-CE1 4.04Å; S124-Y144 PolarHBondContact OG-OH 2.85Å; K127-Y144 HydrophobicContact CD-CD2 4.49Å; K127-Y144 HydrophobicContact CD-CE1 4.29Å; K127-Y144 HydrophobicContact CD-CE2 3.92Å |
| 145 | G | 87.9 | Confident | 86.8 | Confident | 10 Ų | 10 | 77 Ų | 77 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 157 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T69 T71 V147 | T69-G145 PolarHBondContact OG1-N 3.31Å; T69-G145 PolarHBondContact OG1-O 3.41Å; T71-G145 WeakPolarHBondContact O-CA 3.3Å; T71-G145 PolarHBondContact O-N 2.88Å; G145-V147 PolarHBondContact O-N 2.9Å |
| 146 | K | 87 | Confident | 86.9 | Confident | 200 Ų | 200 | 78.2 Ų | 78.2 | 87% | 0.87 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -57 | 130.9 | 172.7 | -68.3 | -174.7 | 177.5 | -175.7 | 0 | 108.9 | I148 | K146-I148 PolarHBondContact O-N 3.2Š|
| 147 | V | 84.6 | Confident | 86.9 | Confident | 56 Ų | 56 | 76 Ų | 76 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 117.8 | 177.6 | -164.4 | 0 | 0 | 0 | 0 | 108.2 | K67 T69 G145 | K67-V147 HydrophobicContact CB-CG2 3.75Å; K67-V147 HydrophobicContact CD-CB 3.93Å; K67-V147 HydrophobicContact CD-CG1 4.23Å; K67-V147 HydrophobicContact CD-CG2 3.5Å; K67-V147 HydrophobicContact CG-CB 4.43Å; K67-V147 HydrophobicContact CG-CG2 3.62Å; T69-V147 HydrophobicContact CG2-CB 4.14Å; T69-V147 HydrophobicContact CG2-CG1 4.1Å; T69-V147 HydrophobicContact CG2-CG2 3.38Å; G145-V147 PolarHBondContact O-N 2.9Å |
| 148 | I | 82.5 | Confident | 87.2 | Confident | 139 Ų | 139 | 72 Ų | 72 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 116.7 | 173.9 | -56.6 | 172.4 | 0 | 0 | 0 | 105.3 | K146 S150 | K146-I148 PolarHBondContact O-N 3.2Å; I148-S150 PolarHBondContact O-N 2.94Å |
| 149 | P | 83.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 75.2 Ų | 75.2 | 79% | 0.792 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 130.3 | 170 | -23.8 | 34.3 | 0 | 0 | 0 | 109.5 | ||
| 150 | S | 82.6 | Confident | 87 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 57% | 0.573 | 42% | 0.418 | S | S | * | . | trans | -136.4 | 145.5 | 178 | 58 | 0 | 0 | 0 | 0 | 109.5 | I148 W152 | I148-S150 PolarHBondContact O-N 2.94Å; S150-W152 PolarHBondContact O-N 2.91Å; S150-W152 PolarHBondContact OG-O 3.4Å | ||
| 151 | H | 88.1 | Confident | 86.9 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 43% | 0.426 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -67.9 | -9.5 | 168.9 | -63.9 | -65 | 0 | 0 | 0 | 112.7 | V192 Y193 S195 | H151-V192 HydrophobicContact CB-CG1 4.23Å; H151-V192 CarbonylContact O-C 3.52Å; H151-V192 VanDerWaalsContact O-CA 3.24Å; H151-V192 WeakPolarHBondContact O-CA 3.45Å; H151-Y193 VanDerWaalsContact CB-O 3.3Å; H151-Y193 WeakPolarHBondContact CB-O 3.32Å; H151-Y193 PolarHBondContact ND1-O 3.25Å; H151-Y193 PolarHBondContact O-N 2.97Å; H151-S195 VanDerWaalsContact CE1-CB 3.47Å; H151-S195 WeakPolarHBondContact CE1-CB 3.41Å; H151-S195 PolarHBondContact CE1-OG 3.17Å; H151-S195 PolarHBondContact NE2-OG 3.23Å |
| 152 | W | 88.3 | Confident | 86.6 | Confident | 178 Ų | 178 | 80.2 Ų | 80.2 | 67% | 0.674 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131 | -175.7 | -65 | 27.1 | 0 | 0 | 0 | 109.9 | S150 A191 V192 | S150-W152 PolarHBondContact O-N 2.91Å; S150-W152 PolarHBondContact OG-O 3.4Å; W152-A191 CarbonylContact C-O 3.52Å; W152-A191 WeakPolarHBondContact CA-O 3.16Å; W152-V192 HydrophobicContact CD2-CG2 4.37Å; W152-V192 HydrophobicContact CG-CG2 4.11Å |
| 153 | L | 88.9 | Confident | 86.3 | Confident | 74 Ų | 74 | 82.1 Ų | 82.1 | 39% | 0.387 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121 | 178 | -176.4 | 66.7 | 0 | 0 | 0 | 109.5 | I155 I190 A191 Y193 | L153-I155 HydrophobicContact CD2-CD1 4.24Å; L153-I155 HydrophobicContact CD2-CG1 3.98Å; L153-I155 HydrophobicContact CG-CG1 3.97Å; L153-I190 WeakPolarHBondContact O-CA 3.26Å; L153-A191 HydrophobicContact CB-CB 4.37Å; L153-A191 PolarHBondContact N-O 3.11Å; L153-A191 PolarHBondContact O-N 3.48Å; L153-Y193 HydrophobicContact CB-CE2 4.17Å; L153-Y193 HydrophobicContact CD2-CE2 4.01Å |
| 154 | Y | 87.7 | Confident | 85.9 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 27% | 0.271 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.3 | 170.4 | 179.5 | -92.1 | 0 | 0 | 0 | 109.3 | Y188 I190 | Y154-Y188 HydrophobicContact CD2-CD2 4.49Å; Y154-Y188 AromaticContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CE2 4.49Å; Y154-Y188 AromaticContact CE2-CG 3.88Å; Y154-Y188 HydrophobicContact CE2-CG 3.88Å; Y154-Y188 WeakPolarHBondContact OH-CB 3.36Å; Y154-I190 HydrophobicContact CD2-CG1 4.27Å |
| 155 | I | 89.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 87.5 Ų | 87.5 | 17% | 0.174 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 109.6 | -179.2 | -52.7 | 151.2 | 0 | 0 | 0 | 106.7 | L153 L158 L171 Y188 A189 A191 | L153-I155 HydrophobicContact CD2-CD1 4.24Å; L153-I155 HydrophobicContact CD2-CG1 3.98Å; L153-I155 HydrophobicContact CG-CG1 3.97Å; I155-L158 HydrophobicContact CG2-CD2 3.8Å; I155-L158 HydrophobicContact CG2-CG 4.25Å; I155-L171 HydrophobicContact CD1-CD1 3.67Å; I155-L171 HydrophobicContact CD1-CD2 3.44Å; I155-L171 VanDerWaalsContact CD1-CD2 3.44Å; I155-L171 HydrophobicContact CD1-CG 4.18Å; I155-L171 HydrophobicContact CG1-CD2 4.49Å; I155-Y188 CarbonylContact O-C 3.59Å; I155-Y188 WeakPolarHBondContact O-CA 3.45Å; I155-Y188 WeakPolarHBondContact O-CB 3.31Å; I155-A189 HydrophobicContact CB-CB 4.37Å; I155-A189 HydrophobicContact CD1-CB 4.2Å; I155-A189 PolarHBondContact N-O 2.92Å; I155-A189 PolarHBondContact O-N 2.96Å; I155-A191 HydrophobicContact CD1-CB 4.16Å |
| 156 | G | 86.6 | Confident | 85.6 | Confident | 39 Ų | 39 | 88.4 Ų | 88.4 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 169.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 157 | G | 85.9 | Confident | 85.8 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 71% | 0.711 | 44% | 0.442 | S | S | * | . | trans | 77 | 22.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E159 K187 | G157-E159 PolarHBondContact O-N 3.4Å; G157-K187 PolarHBondContact N-O 3.5Å; G157-K187 VanDerWaalsContact N-O 3.14Å | ||
| 158 | L | 88.5 | Confident | 86 | Confident | 13 Ų | 13 | 78.2 Ų | 78.2 | 7% | 0.068 | 44% | 0.437 | C | S | . | . | trans | -73.7 | 128.3 | 174.3 | -58.6 | 176.4 | 0 | 0 | 0 | 109.4 | I155 I162 L167 W182 K187 A189 | I155-L158 HydrophobicContact CG2-CD2 3.8Å; I155-L158 HydrophobicContact CG2-CG 4.25Å; L158-I162 HydrophobicContact CB-CD1 4.02Å; L158-I162 HydrophobicContact CD2-CD1 3.46Å; L158-I162 VanDerWaalsContact CD2-CD1 3.46Å; L158-I162 HydrophobicContact CG-CD1 4.34Å; L158-L167 HydrophobicContact CD1-CD2 3.91Å; L158-L167 HydrophobicContact CD2-CD1 3.98Å; L158-W182 VanDerWaalsContact CD1-CD1 3.47Å; L158-W182 HydrophobicContact CD1-CG 4.41Å; L158-K187 PolarHBondContact N-O 3.35Å; L158-K187 WeakPolarHBondContact O-CA 3.4Å; L158-A189 HydrophobicContact CD1-CB 3.49Å; L158-A189 VanDerWaalsContact CD1-CB 3.49Å | ||
| 159 | E | 84.7 | Confident | 86.4 | Confident | 119 Ų | 119 | 79.2 Ų | 79.2 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | trans | -100.2 | 161.5 | 178.6 | -71.7 | -175.7 | -165.6 | 0 | 0 | 111 | G157 W161 I162 | G157-E159 PolarHBondContact O-N 3.4Å; E159-W161 HydrophobicContact CB-CG 4.23Å; E159-W161 PolarHBondContact O-N 3.21Å; E159-W161 VanDerWaalsContact O-N 3.12Å; E159-W161 PolarHBondContact OE2-NE1 3.26Å; E159-I162 PolarHBondContact O-N 2.87Å; E159-I162 VanDerWaalsContact O-N 3.13Å | ||
| 160 | S | 80 | Confident | 86.7 | Confident | 116 Ų | 116 | 76.7 Ų | 76.7 | 81% | 0.811 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.5 | -174.3 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | I162 | S160-I162 VanDerWaalsContact C-N 3.3Š|
| 161 | W | 82.3 | Confident | 87.1 | Confident | 174 Ų | 174 | 73.2 Ų | 73.2 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.2 | 176.8 | 58.2 | -102.2 | 0 | 0 | 0 | 113.2 | E159 S163 | E159-W161 HydrophobicContact CB-CG 4.23Å; E159-W161 PolarHBondContact O-N 3.21Å; E159-W161 VanDerWaalsContact O-N 3.12Å; E159-W161 PolarHBondContact OE2-NE1 3.26Å; W161-S163 PolarHBondContact O-N 2.76Å; W161-S163 VanDerWaalsContact O-N 3.17Å |
| 162 | I | 84.8 | Confident | 87.2 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | trans | -70.8 | 114.5 | 176.9 | -61 | 177.7 | 0 | 0 | 0 | 107.8 | L158 E159 S160 L167 M170 W182 | L158-I162 HydrophobicContact CB-CD1 4.02Å; L158-I162 HydrophobicContact CD2-CD1 3.46Å; L158-I162 VanDerWaalsContact CD2-CD1 3.46Å; L158-I162 HydrophobicContact CG-CD1 4.34Å; E159-I162 PolarHBondContact O-N 2.87Å; E159-I162 VanDerWaalsContact O-N 3.13Å; S160-I162 VanDerWaalsContact C-N 3.3Å; I162-L167 HydrophobicContact CG2-CB 3.63Å; I162-L167 HydrophobicContact CG2-CD1 4.29Å; I162-L167 HydrophobicContact CG2-CG 4.38Å; I162-M170 HydrophobicContact CG2-CE 4.45Å; I162-W182 HydrophobicContact CB-CZ2 4.29Å; I162-W182 HydrophobicContact CG2-CH2 4.31Å; I162-W182 HydrophobicContact CG2-CZ2 4.04Å; I162-W182 VanDerWaalsContact O-CH2 3.26Å; I162-W182 WeakPolarHBondContact O-CH2 3.48Å | ||
| 163 | S | 83.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | trans | -78.2 | 153.2 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | W161 D165 S166 L167 | W161-S163 PolarHBondContact O-N 2.76Å; W161-S163 VanDerWaalsContact O-N 3.17Å; S163-D165 PolarHBondContact O-N 3.29Å; S163-D165 VanDerWaalsContact O-N 3.12Å; S163-S166 PolarHBondContact N-OG 2.87Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.14Å; S163-S166 VanDerWaalsContact OG-CB 3.28Å; S163-S166 WeakPolarHBondContact OG-CB 3.47Å; S163-S166 PolarHBondContact OG-N 2.87Å; S163-S166 PolarHBondContact OG-OG 3.32Å; S163-S166 VanDerWaalsContact OG-OG 3.11Å; S163-L167 PolarHBondContact O-N 2.79Å | ||
| 164 | T | 83.3 | Confident | 87.4 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.1 | 177.1 | -45.3 | 0 | 0 | 0 | 0 | 114 | P168 W182 | T164-P168 WeakPolarHBondContact O-CD 3.24Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; T164-W182 HydrophobicContact CG2-CZ3 4.04Å |
| 165 | D | 86.5 | Confident | 87.5 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -30.6 | 176.5 | -60.9 | -84.1 | 0 | 0 | 0 | 112.9 | S163 R169 | S163-D165 PolarHBondContact O-N 3.29Å; S163-D165 VanDerWaalsContact O-N 3.12Å; D165-R169 VanDerWaalsContact C-CZ 3.45Å; D165-R169 VanDerWaalsContact C-NH2 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-NE 2.75Å; D165-R169 VanDerWaalsContact O-NE 3.11Å; D165-R169 PolarHBondContact O-NH1 2.84Å; D165-R169 PolarHBondContact O-NH2 2.9Å |
| 166 | S | 89.4 | Confident | 87.5 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -79 | -39.9 | -175.5 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | S163 R169 M170 | S163-S166 PolarHBondContact N-OG 2.87Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.14Å; S163-S166 VanDerWaalsContact OG-CB 3.28Å; S163-S166 WeakPolarHBondContact OG-CB 3.47Å; S163-S166 PolarHBondContact OG-N 2.87Å; S163-S166 PolarHBondContact OG-OG 3.32Å; S163-S166 VanDerWaalsContact OG-OG 3.11Å; S166-R169 PolarHBondContact O-N 3.37Å; S166-M170 WeakPolarHBondContact O-CG 3.43Å; S166-M170 PolarHBondContact O-N 3.37Å |
| 167 | L | 90.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -52.6 | -178.7 | -175.6 | 65.5 | 0 | 0 | 0 | 112.7 | L158 I162 S163 R169 M170 L171 W182 A189 | L158-L167 HydrophobicContact CD1-CD2 3.91Å; L158-L167 HydrophobicContact CD2-CD1 3.98Å; I162-L167 HydrophobicContact CG2-CB 3.63Å; I162-L167 HydrophobicContact CG2-CD1 4.29Å; I162-L167 HydrophobicContact CG2-CG 4.38Å; S163-L167 PolarHBondContact O-N 2.79Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 3.06Å; L167-M170 HydrophobicContact CD1-CE 4.1Å; L167-M170 PolarHBondContact O-N 2.81Å; L167-M170 VanDerWaalsContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.12Å; L167-W182 HydrophobicContact CD2-CB 4.19Å; L167-W182 HydrophobicContact CD2-CD2 3.39Å; L167-W182 HydrophobicContact CD2-CE3 3.93Å; L167-W182 HydrophobicContact CD2-CG 3.56Å; L167-W182 HydrophobicContact CD2-CZ2 4.18Å; L167-A189 HydrophobicContact CD2-CB 4.09Å |
| 168 | P | 88.9 | Confident | 88.1 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 24% | 0.24 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 178.8 | -20 | 32.5 | 0 | 0 | 0 | 111.5 | T164 M170 L171 S172 L177 L180 | T164-P168 WeakPolarHBondContact O-CD 3.24Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; P168-M170 VanDerWaalsContact C-N 3.31Å; P168-M170 PolarHBondContact O-N 2.98Å; P168-L171 CarbonylContact O-C 3.58Å; P168-L171 PolarHBondContact O-N 3.02Å; P168-S172 PolarHBondContact O-N 3.49Å; P168-S172 PolarHBondContact O-OG 3.13Å; P168-L177 HydrophobicContact CB-CD2 4.43Å; P168-L180 HydrophobicContact CB-CD2 4.13Å; P168-L180 HydrophobicContact CG-CD2 3.76Å |
| 169 | R | 90.8 | Very high | 88.2 | Confident | 160 Ų | 160 | 84.3 Ų | 84.3 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.7 | -42.4 | 175.7 | -78.3 | -168.7 | -70.5 | -99 | 1.7 | 112.6 | D165 S166 L167 L171 | D165-R169 VanDerWaalsContact C-CZ 3.45Å; D165-R169 VanDerWaalsContact C-NH2 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-NE 2.75Å; D165-R169 VanDerWaalsContact O-NE 3.11Å; D165-R169 PolarHBondContact O-NH1 2.84Å; D165-R169 PolarHBondContact O-NH2 2.9Å; S166-R169 PolarHBondContact O-N 3.37Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 3.06Å; R169-L171 VanDerWaalsContact C-N 3.32Å |
| 170 | M | 91.3 | Very high | 88.5 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 175.7 | -71.3 | -172.5 | -63.9 | 0 | 0 | 112.1 | I162 S166 L167 P168 R173 | I162-M170 HydrophobicContact CG2-CE 4.45Å; S166-M170 WeakPolarHBondContact O-CG 3.43Å; S166-M170 PolarHBondContact O-N 3.37Å; L167-M170 HydrophobicContact CD1-CE 4.1Å; L167-M170 PolarHBondContact O-N 2.81Å; L167-M170 VanDerWaalsContact O-N 3.14Å; P168-M170 VanDerWaalsContact C-N 3.31Å; P168-M170 PolarHBondContact O-N 2.98Å; M170-R173 VanDerWaalsContact O-CG 3.28Å; M170-R173 WeakPolarHBondContact O-CG 3.49Å; M170-R173 PolarHBondContact O-NE 2.82Å |
| 171 | L | 91.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76 | -31.2 | -178.1 | -69.1 | 178.2 | 0 | 0 | 0 | 113.5 | I155 L167 P168 R169 R173 F174 L180 A191 Y193 | I155-L171 HydrophobicContact CD1-CD1 3.67Å; I155-L171 HydrophobicContact CD1-CD2 3.44Å; I155-L171 VanDerWaalsContact CD1-CD2 3.44Å; I155-L171 HydrophobicContact CD1-CG 4.18Å; I155-L171 HydrophobicContact CG1-CD2 4.49Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.12Å; P168-L171 CarbonylContact O-C 3.58Å; P168-L171 PolarHBondContact O-N 3.02Å; R169-L171 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.49Å; L171-R173 VanDerWaalsContact O-N 3.1Å; L171-F174 HydrophobicContact CD2-CD2 4.38Å; L171-F174 HydrophobicContact CD2-CE2 4.42Å; L171-F174 PolarHBondContact O-N 2.64Å; L171-F174 VanDerWaalsContact O-N 3.09Å; L171-L180 HydrophobicContact CD1-CD1 3.66Å; L171-L180 HydrophobicContact CD1-CD2 4.27Å; L171-A191 HydrophobicContact CD1-CB 4.11Å; L171-Y193 WeakPolarHBondContact CB-OH 3.28Å; L171-Y193 WeakPolarHBondContact O-CE1 3.28Å; L171-Y193 PolarHBondContact O-OH 3.04Å |
| 172 | S | 89.7 | Confident | 89.4 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -61 | -16.5 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | P168 F174 G175 | P168-S172 PolarHBondContact O-N 3.49Å; P168-S172 PolarHBondContact O-OG 3.13Å; S172-F174 PolarHBondContact O-N 3.31Å; S172-G175 PolarHBondContact O-N 3.44Å |
| 173 | R | 90.7 | Very high | 89.5 | Confident | 172 Ų | 172 | 71.7 Ų | 71.7 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.5 | -26.1 | 174.5 | 92.3 | 178 | 72.4 | -174.7 | 0.4 | 113.1 | M170 L171 G175 | M170-R173 VanDerWaalsContact O-CG 3.28Å; M170-R173 WeakPolarHBondContact O-CG 3.49Å; M170-R173 PolarHBondContact O-NE 2.82Å; L171-R173 PolarHBondContact O-N 3.49Å; L171-R173 VanDerWaalsContact O-N 3.1Å; R173-G175 VanDerWaalsContact C-N 3.34Å |
| 174 | F | 89.7 | Confident | 89.4 | Confident | 136 Ų | 136 | 72.3 Ų | 72.3 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -89.9 | -2.9 | -174.6 | -59.2 | -71.4 | 0 | 0 | 0 | 112.6 | L171 S172 Y193 | L171-F174 HydrophobicContact CD2-CD2 4.38Å; L171-F174 HydrophobicContact CD2-CE2 4.42Å; L171-F174 PolarHBondContact O-N 2.64Å; L171-F174 VanDerWaalsContact O-N 3.09Å; S172-F174 PolarHBondContact O-N 3.31Å; F174-Y193 HydrophobicContact CB-CE1 3.87Å |
| 175 | G | 89.7 | Confident | 89.5 | Confident | 26 Ų | 26 | 80.1 Ų | 80.1 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 138.2 | -171.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S172 R173 L177 | S172-G175 PolarHBondContact O-N 3.44Å; R173-G175 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.09Å |
| 176 | Q | 91.4 | Very high | 89.4 | Confident | 135 Ų | 135 | 79.8 Ų | 79.8 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | trans | -74.8 | 115.3 | 178.5 | -173.4 | 62.2 | 34.5 | 0 | 0 | 110.4 | T178 Y193 D194 | Q176-T178 PolarHBondContact O-N 3.35Å; Q176-Y193 WeakPolarHBondContact O-CA 3.32Å; Q176-D194 HydrophobicContact CB-CB 4.36Å; Q176-D194 PolarHBondContact O-N 3.12Å | ||
| 177 | L | 91.2 | Very high | 89.4 | Confident | 32 Ų | 32 | 86.2 Ų | 86.2 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.7 | 176 | -176.9 | 67.2 | 0 | 0 | 0 | 109.6 | P168 G175 Y179 L180 A191 | P168-L177 HydrophobicContact CB-CD2 4.43Å; G175-L177 PolarHBondContact O-N 3.09Å; L177-Y179 WeakPolarHBondContact CD1-O 3.41Å; L177-L180 HydrophobicContact CD1-CB 4.18Å; L177-L180 HydrophobicContact CD2-CB 3.8Å; L177-L180 HydrophobicContact CD2-CD2 3.95Å; L177-L180 HydrophobicContact CD2-CG 4.39Å; L177-L180 HydrophobicContact CG-CB 4.23Å; L177-A191 HydrophobicContact CD1-CB 3.73Å |
| 178 | T | 91.9 | Very high | 89.3 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -39.2 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | Q176 V192 D194 | Q176-T178 PolarHBondContact O-N 3.35Å; T178-V192 PolarHBondContact N-O 3.24Å; T178-D194 PolarHBondContact OG1-N 3.11Å |
| 179 | Y | 91.4 | Very high | 89.4 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 138.8 | -178.8 | 177.5 | -104.8 | 0 | 0 | 0 | 110.6 | L177 D181 A191 V192 | L177-Y179 WeakPolarHBondContact CD1-O 3.41Å; Y179-D181 HydrophobicContact CE1-CB 3.73Å; Y179-A191 CarbonylContact O-C 3.46Å; Y179-A191 WeakPolarHBondContact O-CA 3.37Å; Y179-V192 HydrophobicContact CD1-CG2 4.03Å; Y179-V192 PolarHBondContact N-O 3.1Å; Y179-V192 PolarHBondContact O-N 3.34Å |
| 180 | L | 92.2 | Very high | 89.4 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 108 | 175.2 | 177 | 64.5 | 0 | 0 | 0 | 109.5 | P168 L171 L177 W182 A189 I190 A191 | P168-L180 HydrophobicContact CB-CD2 4.13Å; P168-L180 HydrophobicContact CG-CD2 3.76Å; L171-L180 HydrophobicContact CD1-CD1 3.66Å; L171-L180 HydrophobicContact CD1-CD2 4.27Å; L177-L180 HydrophobicContact CD1-CB 4.18Å; L177-L180 HydrophobicContact CD2-CB 3.8Å; L177-L180 HydrophobicContact CD2-CD2 3.95Å; L177-L180 HydrophobicContact CD2-CG 4.39Å; L177-L180 HydrophobicContact CG-CB 4.23Å; L180-W182 HydrophobicContact CD1-CB 4.25Å; L180-W182 HydrophobicContact CG-CB 4.19Å; L180-A189 HydrophobicContact CD1-CB 4.18Å; L180-I190 CarbonylContact C-O 3.54Å; L180-I190 WeakPolarHBondContact CA-O 2.98Å; L180-A191 HydrophobicContact CD1-CB 4.01Å |
| 181 | D | 90.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 79.9 Ų | 79.9 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.6 | 167.2 | -177.9 | 32.1 | 0 | 0 | 0 | 108.9 | Y179 R186 A189 I190 | Y179-D181 HydrophobicContact CE1-CB 3.73Å; D181-R186 IonicContact OD1-NH1 3.14Å; D181-R186 PolarHBondContact OD1-NH1 2.84Å; D181-R186 IonicContact OD2-NH1 2.82Å; D181-R186 PolarHBondContact OD2-NH1 3.04Å; D181-A189 WeakPolarHBondContact O-CA 3.09Å; D181-I190 HydrophobicContact CB-CB 4.34Å; D181-I190 PolarHBondContact N-O 2.95Å; D181-I190 PolarHBondContact O-N 3.14Å |
| 182 | W | 90 | Very high | 89.6 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | trans | -148.4 | 147.3 | 173.2 | 179 | 63.8 | 0 | 0 | 0 | 110.9 | L158 I162 T164 L167 L180 P184 A189 | L158-W182 VanDerWaalsContact CD1-CD1 3.47Å; L158-W182 HydrophobicContact CD1-CG 4.41Å; I162-W182 HydrophobicContact CB-CZ2 4.29Å; I162-W182 HydrophobicContact CG2-CH2 4.31Å; I162-W182 HydrophobicContact CG2-CZ2 4.04Å; I162-W182 VanDerWaalsContact O-CH2 3.26Å; I162-W182 WeakPolarHBondContact O-CH2 3.48Å; T164-W182 HydrophobicContact CG2-CZ3 4.04Å; L167-W182 HydrophobicContact CD2-CB 4.19Å; L167-W182 HydrophobicContact CD2-CD2 3.39Å; L167-W182 HydrophobicContact CD2-CE3 3.93Å; L167-W182 HydrophobicContact CD2-CG 3.56Å; L167-W182 HydrophobicContact CD2-CZ2 4.18Å; L180-W182 HydrophobicContact CD1-CB 4.25Å; L180-W182 HydrophobicContact CG-CB 4.19Å; W182-P184 HydrophobicContact CH2-CB 4.23Å; W182-P184 HydrophobicContact CH2-CG 3.91Å; W182-P184 HydrophobicContact CZ2-CB 4.49Å; W182-P184 HydrophobicContact CZ3-CG 3.95Å; W182-A189 HydrophobicContact CB-CB 3.71Å; W182-A189 HydrophobicContact CG-CB 3.85Å | ||
| 183 | S | 85.8 | Confident | 89.7 | Confident | 42 Ų | 42 | 78.5 Ų | 78.5 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -133.9 | 141.6 | 170.1 | -48.7 | 0 | 0 | 0 | 0 | 108.1 | R185 R186 | S183-R185 PolarHBondContact O-N 3Å; S183-R186 WeakPolarHBondContact O-CA 3.36Å; S183-R186 WeakPolarHBondContact O-CB 3.35Å; S183-R186 PolarHBondContact O-N 3.36Å | ||
| 184 | P | 82.5 | Confident | 89.6 | Confident | 69 Ų | 69 | 75 Ų | 75 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23 | 179.2 | -27.3 | 34.4 | 0 | 0 | 0 | 114.4 | W182 | W182-P184 HydrophobicContact CH2-CB 4.23Å; W182-P184 HydrophobicContact CH2-CG 3.91Å; W182-P184 HydrophobicContact CZ2-CB 4.49Å; W182-P184 HydrophobicContact CZ3-CG 3.95Å |
| 185 | R | 84.1 | Confident | 89 | Confident | 244 Ų | 244 | 72.1 Ų | 72.1 | 92% | 0.921 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -13.4 | 175.1 | -60.8 | -174.4 | 70.4 | -164.9 | 1.8 | 113.8 | S183 | S183-R185 PolarHBondContact O-N 3Š|
| 186 | R | 85.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 36% | 0.362 | 40% | 0.398 | S | S | . | . | trans | -97 | 135.4 | -179.2 | -67.1 | 179.6 | -179.6 | -176.7 | 4.5 | 109.8 | D181 S183 Y188 | D181-R186 IonicContact OD1-NH1 3.14Å; D181-R186 PolarHBondContact OD1-NH1 2.84Å; D181-R186 IonicContact OD2-NH1 2.82Å; D181-R186 PolarHBondContact OD2-NH1 3.04Å; S183-R186 WeakPolarHBondContact O-CA 3.36Å; S183-R186 WeakPolarHBondContact O-CB 3.35Å; S183-R186 PolarHBondContact O-N 3.36Å; R186-Y188 PolarHBondContact O-N 3.39Å | ||
| 187 | K | 88.3 | Confident | 87.3 | Confident | 164 Ų | 164 | 77 Ų | 77 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -82.2 | 8.4 | 176.6 | -61.1 | -173.2 | 177.1 | -173.9 | 0 | 114.1 | G157 L158 | G157-K187 PolarHBondContact N-O 3.5Å; G157-K187 VanDerWaalsContact N-O 3.14Å; L158-K187 PolarHBondContact N-O 3.35Å; L158-K187 WeakPolarHBondContact O-CA 3.4Å |
| 188 | Y | 88.7 | Confident | 87.1 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 35% | 0.353 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.4 | 179.5 | 66.8 | -91.3 | 0 | 0 | 0 | 110.7 | Y154 I155 R186 | Y154-Y188 HydrophobicContact CD2-CD2 4.49Å; Y154-Y188 AromaticContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CE2 4.49Å; Y154-Y188 AromaticContact CE2-CG 3.88Å; Y154-Y188 HydrophobicContact CE2-CG 3.88Å; Y154-Y188 WeakPolarHBondContact OH-CB 3.36Å; I155-Y188 CarbonylContact O-C 3.59Å; I155-Y188 WeakPolarHBondContact O-CA 3.45Å; I155-Y188 WeakPolarHBondContact O-CB 3.31Å; R186-Y188 PolarHBondContact O-N 3.39Å |
| 189 | A | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I155 L158 L167 L180 D181 W182 | I155-A189 HydrophobicContact CB-CB 4.37Å; I155-A189 HydrophobicContact CD1-CB 4.2Å; I155-A189 PolarHBondContact N-O 2.92Å; I155-A189 PolarHBondContact O-N 2.96Å; L158-A189 HydrophobicContact CD1-CB 3.49Å; L158-A189 VanDerWaalsContact CD1-CB 3.49Å; L167-A189 HydrophobicContact CD2-CB 4.09Å; L180-A189 HydrophobicContact CD1-CB 4.18Å; D181-A189 WeakPolarHBondContact O-CA 3.09Å; W182-A189 HydrophobicContact CB-CB 3.71Å; W182-A189 HydrophobicContact CG-CB 3.85Å |
| 190 | I | 90.8 | Very high | 86.6 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.5 | 169.3 | -58.8 | 171 | 0 | 0 | 0 | 107.4 | L153 Y154 L180 D181 | L153-I190 WeakPolarHBondContact O-CA 3.26Å; Y154-I190 HydrophobicContact CD2-CG1 4.27Å; L180-I190 CarbonylContact C-O 3.54Å; L180-I190 WeakPolarHBondContact CA-O 2.98Å; D181-I190 HydrophobicContact CB-CB 4.34Å; D181-I190 PolarHBondContact N-O 2.95Å; D181-I190 PolarHBondContact O-N 3.14Å |
| 191 | A | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | W152 L153 I155 L171 L177 Y179 L180 Y193 | W152-A191 CarbonylContact C-O 3.52Å; W152-A191 WeakPolarHBondContact CA-O 3.16Å; L153-A191 HydrophobicContact CB-CB 4.37Å; L153-A191 PolarHBondContact N-O 3.11Å; L153-A191 PolarHBondContact O-N 3.48Å; I155-A191 HydrophobicContact CD1-CB 4.16Å; L171-A191 HydrophobicContact CD1-CB 4.11Å; L177-A191 HydrophobicContact CD1-CB 3.73Å; Y179-A191 CarbonylContact O-C 3.46Å; Y179-A191 WeakPolarHBondContact O-CA 3.37Å; L180-A191 HydrophobicContact CD1-CB 4.01Å; A191-Y193 HydrophobicContact CB-CE2 3.93Å |
| 192 | V | 92.8 | Very high | 85.9 | Confident | 23 Ų | 23 | 79.4 Ų | 79.4 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.3 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | H151 W152 T178 Y179 | H151-V192 HydrophobicContact CB-CG1 4.23Å; H151-V192 CarbonylContact O-C 3.52Å; H151-V192 VanDerWaalsContact O-CA 3.24Å; H151-V192 WeakPolarHBondContact O-CA 3.45Å; W152-V192 HydrophobicContact CD2-CG2 4.37Å; W152-V192 HydrophobicContact CG-CG2 4.11Å; T178-V192 PolarHBondContact N-O 3.24Å; Y179-V192 HydrophobicContact CD1-CG2 4.03Å; Y179-V192 PolarHBondContact N-O 3.1Å; Y179-V192 PolarHBondContact O-N 3.34Å |
| 193 | Y | 92 | Very high | 85.6 | Confident | 27 Ų | 27 | 83 Ų | 83 | 11% | 0.106 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 151.9 | -179.2 | -69.3 | -87.5 | 0 | 0 | 0 | 111.6 | H151 L153 L171 F174 Q176 A191 | H151-Y193 VanDerWaalsContact CB-O 3.3Å; H151-Y193 WeakPolarHBondContact CB-O 3.32Å; H151-Y193 PolarHBondContact ND1-O 3.25Å; H151-Y193 PolarHBondContact O-N 2.97Å; L153-Y193 HydrophobicContact CB-CE2 4.17Å; L153-Y193 HydrophobicContact CD2-CE2 4.01Å; L171-Y193 WeakPolarHBondContact CB-OH 3.28Å; L171-Y193 WeakPolarHBondContact O-CE1 3.28Å; L171-Y193 PolarHBondContact O-OH 3.04Å; F174-Y193 HydrophobicContact CB-CE1 3.87Å; Q176-Y193 WeakPolarHBondContact O-CA 3.32Å; A191-Y193 HydrophobicContact CB-CE2 3.93Å |
| 194 | D | 89 | Confident | 85.6 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | trans | -71.9 | 158.4 | 168.4 | -153.3 | -3.8 | 0 | 0 | 0 | 111.6 | Q176 T178 C196 | Q176-D194 HydrophobicContact CB-CB 4.36Å; Q176-D194 PolarHBondContact O-N 3.12Å; T178-D194 PolarHBondContact OG1-N 3.11Å; D194-C196 PolarHBondContact O-N 3.17Å | ||
| 195 | S | 76.2 | Confident | 85.9 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | trans | -82 | 110.7 | 171.5 | -24.1 | 0 | 0 | 0 | 0 | 107.6 | H151 | H151-S195 VanDerWaalsContact CE1-CB 3.47Å; H151-S195 WeakPolarHBondContact CE1-CB 3.41Å; H151-S195 PolarHBondContact CE1-OG 3.17Å; H151-S195 PolarHBondContact NE2-OG 3.23Å | ||
| 196 | C | 59.4 | Low | 86 | Confident | 186 Ų | 186 | 73.4 Ų | 73.4 | 100% | 1.257 | 38% | 0.384 | S | S | * | . | trans | -78.9 | 0 | 164.5 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | D194 | D194-C196 PolarHBondContact O-N 3.17Š|
Retrieved 196 of 196 residues in 49.3 ms
(Link to these results)