| 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 | 31.7 | Very low | 37.3 | Very low | 249 Ų | 249 | 155.8 Ų | 155.8 | 100% | 1.227 | 82% | 0.818 | S | S | * | * | 0 | 135.9 | 0 | -65.1 | 176.1 | -178.1 | 0 | 0 | 107.1 | |||||
| 2 | A | 34.4 | Very low | 37.1 | Very low | 91 Ų | 91 | 158.3 Ų | 158.3 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | cis | -168.4 | 139.5 | -15.8 | 0 | 0 | 0 | 0 | 0 | 101.3 | ||||
| 3 | S | 29.5 | Very low | 37 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 66% | 0.657 | 83% | 0.825 | S | S | * | * | trans | -55.3 | 142 | 170.7 | 41.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | R | 30.8 | Very low | 36.8 | Very low | 236 Ų | 236 | 156.2 Ų | 156.2 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -137 | 101.7 | 161.1 | -140.9 | 178.4 | -167.6 | 173.5 | 2.5 | 107.4 | ||||
| 5 | Y | 32.4 | Very low | 36.8 | Very low | 210 Ų | 210 | 158.6 Ų | 158.6 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -83.5 | 135.6 | 165.2 | -58.3 | -86.8 | 0 | 0 | 0 | 107.1 | ||||
| 6 | T | 40 | Very low | 36.8 | Very low | 119 Ų | 119 | 158.3 Ų | 158.3 | 73% | 0.73 | 83% | 0.833 | S | S | * | * | trans | -130 | 125 | 164.3 | 49.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | I | 36.7 | Very low | 36.8 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -70.3 | 133.8 | 175.8 | -63.9 | 161.8 | 0 | 0 | 0 | 107.2 | ||||
| 8 | V | 46.2 | Very low | 37.2 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -114.5 | 118.4 | 167.8 | -180 | 0 | 0 | 0 | 0 | 106 | ||||
| 9 | D | 46.3 | Very low | 37.3 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 68% | 0.679 | 83% | 0.826 | S | S | * | * | trans | -70.8 | 138.6 | -177.9 | -60.2 | -51.7 | 0 | 0 | 0 | 110.4 | ||||
| 10 | E | 40.1 | Very low | 37.5 | Very low | 173 Ų | 173 | 156.6 Ų | 156.6 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | 67.5 | 101.5 | 175.7 | -101.1 | 74.6 | -152.7 | 0 | 0 | 119.2 | ||||
| 11 | P | 42 | Very low | 37.4 | Very low | 131 Ų | 131 | 160 Ų | 160 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -92.2 | 19.4 | 178.3 | 35.2 | -33.5 | 0 | 0 | 0 | 116.7 | ||
| 12 | E | 35.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -141.3 | 73.7 | -177.7 | -65.6 | -171.5 | 171.8 | 0 | 0 | 113.5 | ||||
| 13 | A | 36 | Very low | 37.5 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -161.3 | 79.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | M | 34.5 | Very low | 37.7 | Very low | 184 Ų | 184 | 160 Ų | 160 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -119.9 | 83.9 | 161.2 | -166.6 | 177.8 | -68.4 | 0 | 0 | 107.6 | ||||
| 15 | E | 36.3 | Very low | 38 | Very low | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -84.1 | 126.7 | 168.9 | -149.4 | 169.5 | -167.6 | 0 | 0 | 107.6 | ||||
| 16 | L | 36.8 | Very low | 38 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | -81.1 | 111.4 | 178.4 | -89.9 | 138.3 | 0 | 0 | 0 | 108.9 | ||||
| 17 | D | 37.2 | Very low | 37.8 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | trans | -100.8 | 111.5 | 172.4 | -165.3 | 3.7 | 0 | 0 | 0 | 109.8 | ||||
| 18 | D | 42.9 | Very low | 37.8 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 12.9 | -166.1 | -107.4 | -16.9 | 0 | 0 | 0 | 114 | ||||
| 19 | E | 39.1 | Very low | 37.2 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.7 | -170.6 | -76.9 | -152.4 | 153.4 | 0 | 0 | 117.7 | Y21 | E19-Y21 PolarHBondContact O-N 2.99Š|
| 20 | V | 42.5 | Very low | 36.7 | Very low | 135 Ų | 135 | 157.6 Ų | 157.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 5.6 | -175.6 | -169.6 | 0 | 0 | 0 | 0 | 114.2 | R22 | V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 3.04Å |
| 21 | Y | 35.7 | Very low | 36.4 | Very low | 229 Ų | 229 | 155 Ų | 155 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -88.1 | 22.3 | -179.2 | -123.9 | -83.7 | 0 | 0 | 0 | 115.9 | E19 | E19-Y21 PolarHBondContact O-N 2.99Š|
| 22 | R | 30.9 | Very low | 36 | Very low | 246 Ų | 246 | 152.2 Ų | 152.2 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -144.9 | 65.6 | -179.9 | -132 | -176.6 | -167.8 | 115.7 | -0.2 | 115.8 | V20 | V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 3.04Å | ||
| 23 | S | 36.2 | Very low | 36.1 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -153.9 | 113.8 | 146.2 | 55.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 24 | G | 33.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 83.4 | 50.2 | 71.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 25 | I | 38.1 | Very low | 36 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -108.6 | 106.2 | 171.8 | -62.5 | 176.6 | 0 | 0 | 0 | 107.9 | ||||
| 26 | T | 31.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -63.4 | 124.5 | 171 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | E28 | T26-E28 PolarHBondContact O-N 3.37Š| ||
| 27 | I | 36.5 | Very low | 35.9 | Very low | 159 Ų | 159 | 149 Ų | 149 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -81.1 | 106.1 | 173.9 | -59.9 | 173.8 | 0 | 0 | 0 | 106.7 | ||||
| 28 | E | 37 | Very low | 35.9 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 127 | 165.3 | -75.5 | -173.5 | 148.2 | 0 | 0 | 109.5 | T26 F30 | T26-E28 PolarHBondContact O-N 3.37Å; E28-F30 PolarHBondContact O-N 3.39Å | ||
| 29 | D | 33.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -64.4 | 97.5 | 174.7 | -82.7 | -35.1 | 0 | 0 | 0 | 110.9 | ||||
| 30 | F | 36.1 | Very low | 36.2 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -99 | 92.4 | 159.4 | -86.8 | -83.6 | 0 | 0 | 0 | 110.4 | E28 G32 | E28-F30 PolarHBondContact O-N 3.39Å; F30-G32 PolarHBondContact O-N 3.07Å | ||
| 31 | S | 32.5 | Very low | 36 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -54.1 | 121.5 | 157.4 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | G | 32.9 | Very low | 36.6 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 135.4 | 112.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F30 | F30-G32 PolarHBondContact O-N 3.07Š| ||
| 33 | S | 39.4 | Very low | 37.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 90.3 | 89.9 | 159.6 | -163.4 | 0 | 0 | 0 | 0 | 117.7 | R35 | S33-R35 PolarHBondContact O-N 3.44Å; S33-R35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | T | 31.4 | Very low | 38.5 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 94 | 162.1 | 42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 35 | R | 35.2 | Very low | 39.5 | Very low | 225 Ų | 225 | 138.1 Ų | 138.1 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | -141.3 | 106.2 | 150.5 | -78.9 | -164.9 | 166.7 | 138.5 | -2.3 | 108.9 | S33 L37 | S33-R35 PolarHBondContact O-N 3.44Å; S33-R35 VanDerWaalsContact O-N 3.17Å; R35-L37 PolarHBondContact O-N 2.93Å | ||
| 36 | S | 35.8 | Very low | 40.6 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 120.7 | 179.3 | 101.2 | 0 | 0 | 0 | 0 | 109.1 | D38 | S36-D38 PolarHBondContact OG-OD1 3.2Š| ||
| 37 | L | 36.7 | Very low | 41.7 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -89.7 | 88.8 | 159.7 | -93.7 | 139.1 | 0 | 0 | 0 | 104.7 | R35 | R35-L37 PolarHBondContact O-N 2.93Š| ||
| 38 | D | 36.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | -65.2 | 141.3 | 174.4 | -76.9 | -6.6 | 0 | 0 | 0 | 110 | S36 | S36-D38 PolarHBondContact OG-OD1 3.2Š| ||
| 39 | P | 42.4 | Very low | 43.9 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 129.8 | -160.5 | -8.8 | 27.3 | 0 | 0 | 0 | 111.8 | I41 | P39-I41 PolarHBondContact O-N 3.04Š| ||
| 40 | I | 44.5 | Very low | 45.1 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -79.9 | 95.7 | 166.1 | -59.8 | 162.2 | 0 | 0 | 0 | 106.7 | ||||
| 41 | I | 39.5 | Very low | 46.2 | Very low | 158 Ų | 158 | 128 Ų | 128 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -168.1 | 128.9 | 150.8 | -87.7 | 137.7 | 0 | 0 | 0 | 108.4 | P39 | P39-I41 PolarHBondContact O-N 3.04Š| ||
| 42 | P | 48.1 | Very low | 47.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -85.7 | 139.1 | -161.2 | 33.8 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 43 | G | 53.8 | Low | 49.3 | Very low | 61 Ų | 61 | 128.4 Ų | 128.4 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | trans | -68.6 | -175.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I45 | G43-I45 PolarHBondContact O-N 3.12Š| ||
| 44 | P | 54.2 | Low | 50.7 | Low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -55.9 | 136.4 | -165.3 | 21.9 | -33.1 | 0 | 0 | 0 | 112.1 | G46 | P44-G46 PolarHBondContact O-N 3.34Š| ||
| 45 | I | 53.9 | Low | 52.6 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | trans | -64.7 | 79.7 | 179.1 | -52.2 | 155.3 | 0 | 0 | 0 | 108.2 | G43 T49 I50 | G43-I45 PolarHBondContact O-N 3.12Å; I45-T49 WeakPolarHBondContact CA-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.25Å; I45-I50 HydrophobicContact CG2-CD1 4.43Å; I45-I50 HydrophobicContact CG2-CG1 4.09Å | ||
| 46 | G | 60.3 | Low | 54.2 | Low | 33 Ų | 33 | 126.4 Ų | 126.4 | 34% | 0.34 | 68% | 0.675 | S | S | . | * | trans | -72.6 | 155.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P44 K48 T49 | P44-G46 PolarHBondContact O-N 3.34Å; G46-K48 PolarHBondContact O-N 3.1Å; G46-T49 PolarHBondContact N-OG1 3.23Å; G46-T49 WeakPolarHBondContact O-CA 3.26Å; G46-T49 WeakPolarHBondContact O-CB 3.41Å; G46-T49 PolarHBondContact O-N 3.03Å; G46-T49 PolarHBondContact O-OG1 3.5Å | ||
| 47 | L | 55.3 | Low | 56.3 | Low | 137 Ų | 137 | 124.1 Ų | 124.1 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -49.7 | -28.3 | 172.6 | -128.8 | 153.8 | 0 | 0 | 0 | 112.5 | T49 F51 | L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 3.39Å; L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 HydrophobicContact CD2-CE2 3.8Å |
| 48 | K | 60.2 | Low | 58.3 | Low | 189 Ų | 189 | 121 Ų | 121 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.7 | -32.2 | 172.1 | -70.1 | -170.6 | 175.9 | -177.7 | 0 | 114.1 | G46 Y52 | G46-K48 PolarHBondContact O-N 3.1Å; K48-Y52 VanDerWaalsContact O-CB 3.28Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å |
| 49 | T | 59.3 | Low | 60.6 | Low | 72 Ų | 72 | 125.5 Ų | 125.5 | 44% | 0.442 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -78.3 | -34.2 | -177.8 | 63 | 0 | 0 | 0 | 0 | 112.9 | I45 G46 L47 F51 Y52 | I45-T49 WeakPolarHBondContact CA-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.25Å; G46-T49 PolarHBondContact N-OG1 3.23Å; G46-T49 WeakPolarHBondContact O-CA 3.26Å; G46-T49 WeakPolarHBondContact O-CB 3.41Å; G46-T49 PolarHBondContact O-N 3.03Å; G46-T49 PolarHBondContact O-OG1 3.5Å; L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 3.39Å; T49-F51 VanDerWaalsContact C-N 3.28Å; T49-F51 PolarHBondContact O-N 3.18Å; T49-Y52 PolarHBondContact O-N 3.4Å |
| 50 | I | 59.2 | Low | 62.6 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.1 | -35.6 | -179.2 | -67.2 | 169.9 | 0 | 0 | 0 | 111.7 | I45 | I45-I50 HydrophobicContact CG2-CD1 4.43Å; I45-I50 HydrophobicContact CG2-CG1 4.09Å |
| 51 | F | 58 | Low | 64.4 | Low | 167 Ų | 167 | 119.6 Ų | 119.6 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 8.3 | 179.2 | -61.9 | -72.9 | 0 | 0 | 0 | 113.6 | L47 T49 | L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 HydrophobicContact CD2-CE2 3.8Å; T49-F51 VanDerWaalsContact C-N 3.28Å; T49-F51 PolarHBondContact O-N 3.18Å |
| 52 | Y | 61.8 | Low | 66.7 | Low | 133 Ų | 133 | 119.4 Ų | 119.4 | 52% | 0.522 | 61% | 0.606 | S | S | . | * | trans | -96.7 | 96.7 | 179.6 | -166.9 | -86 | 0 | 0 | 0 | 110.2 | K48 T49 P54 R61 | K48-Y52 VanDerWaalsContact O-CB 3.28Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å; T49-Y52 PolarHBondContact O-N 3.4Å; Y52-P54 HydrophobicContact CD1-CG 4.03Å; Y52-P54 HydrophobicContact CE1-CB 4.13Å; Y52-P54 HydrophobicContact CE1-CG 3.99Å; Y52-P54 WeakPolarHBondContact O-CD 3.03Å; Y52-R61 VanDerWaalsContact CZ-NH1 3.33Å; Y52-R61 PolarHBondContact OH-NH1 2.91Å; Y52-R61 PolarHBondContact OH-NH2 3.31Å | ||
| 53 | D | 68.8 | Low | 68.6 | Low | 66 Ų | 66 | 117 Ų | 117 | 35% | 0.353 | 59% | 0.591 | S | S | . | * | trans | -86.9 | 114.9 | 161.3 | -164.7 | -22.5 | 0 | 0 | 0 | 109 | R55 W56 R61 | D53-R55 PolarHBondContact O-N 3.39Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 VanDerWaalsContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CB 3Å; D53-R55 VanDerWaalsContact OD1-CG 3.25Å; D53-R55 WeakPolarHBondContact OD1-CG 3.48Å; D53-R55 PolarHBondContact OD1-N 2.98Å; D53-W56 PolarHBondContact O-N 2.83Å; D53-R61 PolarHBondContact O-NH2 3.01Å | ||
| 54 | P | 70.1 | Confident | 70.2 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -19.7 | 176.1 | -20.6 | 31.7 | 0 | 0 | 0 | 113.7 | Y52 W56 | Y52-P54 HydrophobicContact CD1-CG 4.03Å; Y52-P54 HydrophobicContact CE1-CB 4.13Å; Y52-P54 HydrophobicContact CE1-CG 3.99Å; Y52-P54 WeakPolarHBondContact O-CD 3.03Å; P54-W56 PolarHBondContact O-N 3.17Å |
| 55 | R | 70.2 | Confident | 71.8 | Confident | 219 Ų | 219 | 116.1 Ų | 116.1 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -12.9 | -174.7 | -65.2 | 174.7 | 179 | -161.3 | 0.8 | 114.5 | D53 | D53-R55 PolarHBondContact O-N 3.39Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 VanDerWaalsContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CB 3Å; D53-R55 VanDerWaalsContact OD1-CG 3.25Å; D53-R55 WeakPolarHBondContact OD1-CG 3.48Å; D53-R55 PolarHBondContact OD1-N 2.98Å |
| 56 | W | 68.9 | Low | 73.5 | Confident | 126 Ų | 126 | 112.3 Ų | 112.3 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -102.8 | 136.6 | -173.4 | -65.2 | -1.3 | 0 | 0 | 0 | 113.3 | D53 P54 R61 C64 | D53-W56 PolarHBondContact O-N 2.83Å; P54-W56 PolarHBondContact O-N 3.17Å; W56-R61 HydrophobicContact CB-CG 3.78Å; W56-R61 HydrophobicContact CE3-CG 4.22Å; W56-R61 PolarHBondContact O-NE 2.65Å; W56-C64 HydrophobicContact CZ3-CB 3.96Å |
| 57 | S | 80.1 | Confident | 75.1 | Confident | 50 Ų | 50 | 114.3 Ų | 114.3 | 35% | 0.35 | 56% | 0.558 | S | S | . | * | trans | -67.6 | 153.5 | 173 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | R59 Q60 R61 | S57-R59 PolarHBondContact O-N 2.86Å; S57-R59 VanDerWaalsContact O-N 3.14Å; S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 VanDerWaalsContact OG-CD 3.29Å; S57-Q60 VanDerWaalsContact OG-CG 3.31Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.18Å; S57-Q60 PolarHBondContact OG-OE1 2.68Å; S57-R61 WeakPolarHBondContact O-CG 3.47Å; S57-R61 PolarHBondContact O-N 3.31Å | ||
| 58 | P | 80.2 | Confident | 76.8 | Confident | 104 Ų | 104 | 110 Ų | 110 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -54.4 | -35.8 | 179.7 | -27.1 | 34.4 | 0 | 0 | 0 | 113.9 | F62 | P58-F62 PolarHBondContact O-N 3.06Å; P58-F62 VanDerWaalsContact O-N 3.14Å |
| 59 | R | 83.2 | Confident | 78.4 | Confident | 223 Ų | 223 | 105.7 Ų | 105.7 | 84% | 0.842 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.8 | -42.8 | 177.5 | -67.2 | -175.6 | 179.5 | 175.2 | -0 | 112.3 | S57 R61 F62 C63 | S57-R59 PolarHBondContact O-N 2.86Å; S57-R59 VanDerWaalsContact O-N 3.14Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-F62 PolarHBondContact O-N 2.79Å; R59-C63 PolarHBondContact O-N 3.47Å; R59-C63 VanDerWaalsContact O-N 3.12Å |
| 60 | Q | 85.3 | Confident | 80.1 | Confident | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.8 | -75.4 | 165.7 | -35.2 | 0 | 0 | 111.1 | S57 C63 C64 | S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 VanDerWaalsContact OG-CD 3.29Å; S57-Q60 VanDerWaalsContact OG-CG 3.31Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.18Å; S57-Q60 PolarHBondContact OG-OE1 2.68Å; Q60-C63 PolarHBondContact O-N 3.07Å; Q60-C64 PolarHBondContact O-N 3.22Å; Q60-C64 PolarHBondContact O-SG 3.15Å |
| 61 | R | 82.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 105 Ų | 105 | 20% | 0.204 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 177.3 | -69.6 | 177.6 | 179.3 | 169 | 0.6 | 112.6 | Y52 D53 W56 S57 R59 C63 C64 L65 | Y52-R61 VanDerWaalsContact CZ-NH1 3.33Å; Y52-R61 PolarHBondContact OH-NH1 2.91Å; Y52-R61 PolarHBondContact OH-NH2 3.31Å; D53-R61 PolarHBondContact O-NH2 3.01Å; W56-R61 HydrophobicContact CB-CG 3.78Å; W56-R61 HydrophobicContact CE3-CG 4.22Å; W56-R61 PolarHBondContact O-NE 2.65Å; S57-R61 WeakPolarHBondContact O-CG 3.47Å; S57-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.26Å; R61-C64 PolarHBondContact O-N 2.83Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.04Å; R61-L65 PolarHBondContact O-N 2.95Å |
| 62 | F | 86.5 | Confident | 83.6 | Confident | 154 Ų | 154 | 101 Ų | 101 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -46 | 178 | -173.2 | -97.9 | 0 | 0 | 0 | 110.9 | P58 R59 C64 L65 T66 | P58-F62 PolarHBondContact O-N 3.06Å; P58-F62 VanDerWaalsContact O-N 3.14Å; R59-F62 PolarHBondContact O-N 2.79Å; F62-C64 PolarHBondContact O-N 3.21Å; F62-L65 PolarHBondContact O-N 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.34Å; F62-T66 PolarHBondContact O-N 3.45Å; F62-T66 PolarHBondContact O-OG1 2.72Å |
| 63 | C | 87.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | R59 Q60 R61 L65 T66 V67 | R59-C63 PolarHBondContact O-N 3.47Å; R59-C63 VanDerWaalsContact O-N 3.12Å; Q60-C63 PolarHBondContact O-N 3.07Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.26Å; C63-L65 PolarHBondContact O-N 3.07Å; C63-T66 PolarHBondContact O-N 3.11Å; C63-V67 VanDerWaalsContact O-CG2 3.31Å; C63-V67 WeakPolarHBondContact O-CG2 3.17Å; C63-V67 PolarHBondContact O-N 3Å |
| 64 | C | 88 | Confident | 86.6 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 179.7 | -68 | 0 | 0 | 0 | 0 | 112.7 | W56 Q60 R61 F62 V67 A68 | W56-C64 HydrophobicContact CZ3-CB 3.96Å; Q60-C64 PolarHBondContact O-N 3.22Å; Q60-C64 PolarHBondContact O-SG 3.15Å; R61-C64 PolarHBondContact O-N 2.83Å; F62-C64 PolarHBondContact O-N 3.21Å; C64-V67 PolarHBondContact O-N 3.26Å; C64-A68 WeakPolarHBondContact O-CB 3.4Å; C64-A68 PolarHBondContact O-N 2.87Å |
| 65 | L | 88.6 | Confident | 87.9 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 177.4 | -72.2 | 173.2 | 0 | 0 | 0 | 111.6 | R61 F62 C63 V67 A68 V69 | R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.04Å; R61-L65 PolarHBondContact O-N 2.95Å; F62-L65 PolarHBondContact O-N 3.23Å; C63-L65 PolarHBondContact O-N 3.07Å; L65-V67 PolarHBondContact O-N 3.27Å; L65-A68 PolarHBondContact O-N 3.38Å; L65-V69 WeakPolarHBondContact O-CB 3.4Å; L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 3.4Å |
| 66 | T | 89.3 | Confident | 89.2 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.1 | -57.2 | 0 | 0 | 0 | 0 | 111 | F62 C63 A68 V69 V70 | F62-T66 WeakPolarHBondContact O-CB 3.34Å; F62-T66 PolarHBondContact O-N 3.45Å; F62-T66 PolarHBondContact O-OG1 2.72Å; C63-T66 PolarHBondContact O-N 3.11Å; T66-A68 PolarHBondContact O-N 2.83Å; T66-V69 PolarHBondContact O-N 3.09Å; T66-V70 HydrophobicContact CG2-CG2 4.48Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.95Å |
| 67 | V | 93.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 88.2 Ų | 88.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | C63 C64 L65 V69 V70 I71 | C63-V67 VanDerWaalsContact O-CG2 3.31Å; C63-V67 WeakPolarHBondContact O-CG2 3.17Å; C63-V67 PolarHBondContact O-N 3Å; C64-V67 PolarHBondContact O-N 3.26Å; L65-V67 PolarHBondContact O-N 3.27Å; V67-V69 PolarHBondContact O-N 2.81Å; V67-V70 PolarHBondContact O-N 3.13Å; V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CB 3.49Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.16Å |
| 68 | A | 91.7 | Very high | 91.3 | Very high | 47 Ų | 47 | 90.6 Ų | 90.6 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C64 L65 T66 I71 T72 | C64-A68 WeakPolarHBondContact O-CB 3.4Å; C64-A68 PolarHBondContact O-N 2.87Å; L65-A68 PolarHBondContact O-N 3.38Å; T66-A68 PolarHBondContact O-N 2.83Å; A68-I71 PolarHBondContact O-N 3.08Å; A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.16Å |
| 69 | V | 94 | Very high | 92.1 | Very high | 97 Ų | 97 | 89.7 Ų | 89.7 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L65 T66 V67 T72 C73 | L65-V69 WeakPolarHBondContact O-CB 3.4Å; L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 3.4Å; T66-V69 PolarHBondContact O-N 3.09Å; V67-V69 PolarHBondContact O-N 2.81Å; V69-T72 PolarHBondContact O-N 3.37Å; V69-C73 VanDerWaalsContact O-CB 3.31Å; V69-C73 WeakPolarHBondContact O-CB 3.37Å; V69-C73 PolarHBondContact O-N 3.44Å |
| 70 | V | 95.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 84.1 Ų | 84.1 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | T66 V67 T72 C73 C74 | T66-V70 HydrophobicContact CG2-CG2 4.48Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.95Å; V67-V70 PolarHBondContact O-N 3.13Å; V70-T72 PolarHBondContact O-N 3.36Å; V70-C73 PolarHBondContact O-N 3.23Å; V70-C74 PolarHBondContact O-N 3.09Å; V70-C74 PolarHBondContact O-SG 3.44Å |
| 71 | I | 95.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 82.1 Ų | 82.1 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.9 | -68.9 | 168.3 | 0 | 0 | 0 | 110.6 | V67 A68 C73 C74 C75 | V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CB 3.49Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.16Å; A68-I71 PolarHBondContact O-N 3.08Å; I71-C73 VanDerWaalsContact C-N 3.32Å; I71-C73 PolarHBondContact O-N 3.2Å; I71-C74 PolarHBondContact O-N 3.14Å; I71-C75 PolarHBondContact O-N 2.94Å; I71-C75 PolarHBondContact O-SG 3.14Å |
| 72 | T | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 83.8 Ų | 83.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | A68 V69 V70 C75 L76 | A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.16Å; V69-T72 PolarHBondContact O-N 3.37Å; V70-T72 PolarHBondContact O-N 3.36Å; T72-C75 PolarHBondContact O-N 3.12Å; T72-L76 HydrophobicContact CG2-CD1 4.21Å; T72-L76 HydrophobicContact CG2-CG 4.45Å; T72-L76 WeakPolarHBondContact O-CB 3.31Å; T72-L76 VanDerWaalsContact O-CG 3.28Å; T72-L76 WeakPolarHBondContact O-CG 3.28Å; T72-L76 PolarHBondContact O-N 3.47Å |
| 73 | C | 96.5 | Very high | 94.5 | Very high | 79 Ų | 79 | 83.2 Ų | 83.2 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | V69 V70 I71 L76 A77 | V69-C73 VanDerWaalsContact O-CB 3.31Å; V69-C73 WeakPolarHBondContact O-CB 3.37Å; V69-C73 PolarHBondContact O-N 3.44Å; V70-C73 PolarHBondContact O-N 3.23Å; I71-C73 VanDerWaalsContact C-N 3.32Å; I71-C73 PolarHBondContact O-N 3.2Å; C73-L76 PolarHBondContact O-N 3.26Å; C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 3.35Å |
| 74 | C | 96.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 83.6 Ų | 83.6 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 173.7 | -69 | 0 | 0 | 0 | 0 | 111.9 | V70 I71 A77 V78 | V70-C74 PolarHBondContact O-N 3.09Å; V70-C74 PolarHBondContact O-SG 3.44Å; I71-C74 PolarHBondContact O-N 3.14Å; C74-A77 PolarHBondContact O-N 3.44Å; C74-V78 WeakPolarHBondContact O-CG2 3.38Å; C74-V78 PolarHBondContact O-N 3.28Å |
| 75 | C | 96.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 82.4 Ų | 82.4 | 47% | 0.473 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | I71 T72 V78 L79 | I71-C75 PolarHBondContact O-N 2.94Å; I71-C75 PolarHBondContact O-SG 3.14Å; T72-C75 PolarHBondContact O-N 3.12Å; C75-V78 PolarHBondContact O-N 2.93Å; C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.25Å; C75-L79 PolarHBondContact O-N 2.77Å |
| 76 | L | 96.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 81.2 Ų | 81.2 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.8 | -70.2 | 174.4 | 0 | 0 | 0 | 111.9 | T72 C73 V78 L79 I80 | T72-L76 HydrophobicContact CG2-CD1 4.21Å; T72-L76 HydrophobicContact CG2-CG 4.45Å; T72-L76 WeakPolarHBondContact O-CB 3.31Å; T72-L76 VanDerWaalsContact O-CG 3.28Å; T72-L76 WeakPolarHBondContact O-CG 3.28Å; T72-L76 PolarHBondContact O-N 3.47Å; C73-L76 PolarHBondContact O-N 3.26Å; L76-V78 PolarHBondContact O-N 3.14Å; L76-L79 PolarHBondContact O-N 2.8Å; L76-I80 WeakPolarHBondContact O-CB 3.33Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 2.93Å |
| 77 | A | 96.4 | Very high | 96 | Very high | 57 Ų | 57 | 79.9 Ų | 79.9 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C73 C74 I80 A81 | C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 3.35Å; C74-A77 PolarHBondContact O-N 3.44Å; A77-I80 PolarHBondContact O-N 2.72Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.81Å |
| 78 | V | 96.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 83 Ų | 83 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | C74 C75 L76 A81 L82 | C74-V78 WeakPolarHBondContact O-CG2 3.38Å; C74-V78 PolarHBondContact O-N 3.28Å; C75-V78 PolarHBondContact O-N 2.93Å; L76-V78 PolarHBondContact O-N 3.14Å; V78-A81 PolarHBondContact O-N 2.89Å; V78-L82 WeakPolarHBondContact O-CB 3.34Å; V78-L82 PolarHBondContact O-N 2.86Å |
| 79 | L | 97 | Very high | 96.4 | Very high | 86 Ų | 86 | 84.5 Ų | 84.5 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 177 | -73.5 | 173 | 0 | 0 | 0 | 111.9 | C75 L76 L82 F83 | C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.25Å; C75-L79 PolarHBondContact O-N 2.77Å; L76-L79 PolarHBondContact O-N 2.8Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.14Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.83Å |
| 80 | I | 96.9 | Very high | 96.5 | Very high | 106 Ų | 106 | 84.5 Ų | 84.5 | 54% | 0.544 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 177 | -68.5 | 164.9 | 0 | 0 | 0 | 110.4 | L76 A77 L82 F83 V84 | L76-I80 WeakPolarHBondContact O-CB 3.33Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 2.93Å; A77-I80 PolarHBondContact O-N 2.72Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.27Å; I80-F83 PolarHBondContact O-N 3.44Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 2.83Å |
| 81 | A | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 83.5 Ų | 83.5 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A77 V78 V84 G85 | A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.81Å; V78-A81 PolarHBondContact O-N 2.89Å; A81-V84 PolarHBondContact O-N 3.45Å; A81-G85 PolarHBondContact O-N 3.14Å |
| 82 | L | 97.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 87.2 Ų | 87.2 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.5 | -176.5 | 150.4 | 0 | 0 | 0 | 111.7 | V78 L79 I80 G85 L86 | V78-L82 WeakPolarHBondContact O-CB 3.34Å; V78-L82 PolarHBondContact O-N 2.86Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.14Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.27Å; L82-G85 PolarHBondContact O-N 3.01Å; L82-L86 HydrophobicContact CD2-CD1 3.42Å; L82-L86 VanDerWaalsContact CD2-CD1 3.42Å; L82-L86 HydrophobicContact CD2-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.35Å |
| 83 | F | 97.1 | Very high | 96.2 | Very high | 142 Ų | 142 | 87.2 Ų | 87.2 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 176.6 | -81.9 | -66.1 | 0 | 0 | 0 | 112.7 | L79 I80 G87 | L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.83Å; I80-F83 PolarHBondContact O-N 3.44Å; F83-G87 PolarHBondContact O-N 3.27Å |
| 84 | V | 97 | Very high | 96 | Very high | 85 Ų | 85 | 87.6 Ų | 87.6 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | I80 A81 G87 Q88 | I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 2.83Å; A81-V84 PolarHBondContact O-N 3.45Å; V84-G87 PolarHBondContact O-N 3.4Å; V84-Q88 WeakPolarHBondContact O-CG 3.28Å; V84-Q88 PolarHBondContact O-N 3.31Å |
| 85 | G | 96.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 92.9 Ų | 92.9 | 32% | 0.32 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A81 L82 G87 Q88 V89 | A81-G85 PolarHBondContact O-N 3.14Å; L82-G85 PolarHBondContact O-N 3.01Å; G85-G87 PolarHBondContact O-N 3.15Å; G85-Q88 PolarHBondContact O-N 3.07Å; G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 3.34Å |
| 86 | L | 97.2 | Very high | 95.2 | Very high | 89 Ų | 89 | 91.5 Ų | 91.5 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.1 | -73.1 | -179.7 | 0 | 0 | 0 | 112 | L82 Q88 V89 I90 | L82-L86 HydrophobicContact CD2-CD1 3.42Å; L82-L86 VanDerWaalsContact CD2-CD1 3.42Å; L82-L86 HydrophobicContact CD2-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.35Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.98Å; L86-V89 PolarHBondContact O-N 3.04Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.29Å |
| 87 | G | 96.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 91.2 Ų | 91.2 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F83 V84 G85 A91 | F83-G87 PolarHBondContact O-N 3.27Å; V84-G87 PolarHBondContact O-N 3.4Å; G85-G87 PolarHBondContact O-N 3.15Å; G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.2Å |
| 88 | Q | 96 | Very high | 94.2 | Very high | 139 Ų | 139 | 97.8 Ų | 97.8 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 175.1 | -73.6 | -173.6 | -18.2 | 0 | 0 | 112.4 | V84 G85 L86 A91 Y92 | V84-Q88 WeakPolarHBondContact O-CG 3.28Å; V84-Q88 PolarHBondContact O-N 3.31Å; G85-Q88 PolarHBondContact O-N 3.07Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.98Å; Q88-A91 PolarHBondContact O-N 2.86Å; Q88-Y92 WeakPolarHBondContact O-CB 3.18Å; Q88-Y92 PolarHBondContact O-N 3.27Å |
| 89 | V | 96.7 | Very high | 93.6 | Very high | 80 Ų | 80 | 96.7 Ų | 96.7 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | G85 L86 A91 Y92 I93 | G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 3.34Å; L86-V89 PolarHBondContact O-N 3.04Å; V89-A91 PolarHBondContact O-N 3.39Å; V89-Y92 WeakPolarHBondContact O-CB 3.44Å; V89-Y92 PolarHBondContact O-N 2.79Å; V89-I93 HydrophobicContact CG1-CD1 3.87Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.2Å |
| 90 | I | 95 | Very high | 93.1 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177 | -67.1 | 165.1 | 0 | 0 | 0 | 110.7 | L86 Y92 I93 N94 | L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.29Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.12Å; I90-I93 PolarHBondContact O-N 3.26Å; I90-N94 WeakPolarHBondContact O-CB 3.43Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.32Å |
| 91 | A | 94.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 94.1 Ų | 94.1 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G87 Q88 V89 R95 | G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.2Å; Q88-A91 PolarHBondContact O-N 2.86Å; V89-A91 PolarHBondContact O-N 3.39Å; A91-R95 WeakPolarHBondContact O-CB 3.49Å; A91-R95 PolarHBondContact O-N 2.95Å |
| 92 | Y | 94.1 | Very high | 92.3 | Very high | 172 Ų | 172 | 91.8 Ų | 91.8 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -49 | 176.2 | 177.1 | -96.1 | 0 | 0 | 0 | 112.1 | Q88 V89 I90 R95 S96 | Q88-Y92 WeakPolarHBondContact O-CB 3.18Å; Q88-Y92 PolarHBondContact O-N 3.27Å; V89-Y92 WeakPolarHBondContact O-CB 3.44Å; V89-Y92 PolarHBondContact O-N 2.79Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.12Å; Y92-R95 PolarHBondContact O-N 3.29Å; Y92-S96 PolarHBondContact O-N 3.18Å |
| 93 | I | 92.3 | Very high | 92.1 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 178.4 | -65.6 | 165.8 | 0 | 0 | 0 | 110.2 | V89 I90 R95 S96 D97 | V89-I93 HydrophobicContact CG1-CD1 3.87Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.2Å; I90-I93 PolarHBondContact O-N 3.26Å; I93-R95 PolarHBondContact O-N 3.33Å; I93-S96 WeakPolarHBondContact O-CA 3.23Å; I93-S96 WeakPolarHBondContact O-CB 3.2Å; I93-S96 PolarHBondContact O-N 3.47Å; I93-D97 PolarHBondContact O-N 3.12Å |
| 94 | N | 92 | Very high | 92 | Very high | 87 Ų | 87 | 80.9 Ų | 80.9 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 177.8 | -75.6 | -23 | 0 | 0 | 0 | 112.7 | I90 R98 | I90-N94 WeakPolarHBondContact O-CB 3.43Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.32Å; N94-R98 WeakPolarHBondContact O-CB 3.44Å; N94-R98 VanDerWaalsContact O-CG 3.28Å; N94-R98 WeakPolarHBondContact O-CG 3.4Å; N94-R98 PolarHBondContact O-N 3.46Å; N94-R98 VanDerWaalsContact O-N 3.1Å |
| 95 | R | 88.9 | Confident | 92 | Very high | 182 Ų | 182 | 78.9 Ų | 78.9 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.7 | -43.2 | 175.3 | -176.2 | 176.5 | -176.7 | 125.2 | 3.7 | 111.2 | A91 Y92 I93 R98 L99 | A91-R95 WeakPolarHBondContact O-CB 3.49Å; A91-R95 PolarHBondContact O-N 2.95Å; Y92-R95 PolarHBondContact O-N 3.29Å; I93-R95 PolarHBondContact O-N 3.33Å; R95-R98 PolarHBondContact O-N 3.26Å; R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.78Å |
| 96 | S | 86.6 | Confident | 92 | Very high | 42 Ų | 42 | 78 Ų | 78 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | Y92 I93 R98 L99 K100 | Y92-S96 PolarHBondContact O-N 3.18Å; I93-S96 WeakPolarHBondContact O-CA 3.23Å; I93-S96 WeakPolarHBondContact O-CB 3.2Å; I93-S96 PolarHBondContact O-N 3.47Å; S96-R98 PolarHBondContact O-N 2.89Å; S96-L99 PolarHBondContact O-N 3.03Å; S96-L99 VanDerWaalsContact O-N 3.15Å; S96-K100 PolarHBondContact O-N 2.87Å |
| 97 | D | 87 | Confident | 91.9 | Very high | 89 Ų | 89 | 74 Ų | 74 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 179 | -67.4 | -22.3 | 0 | 0 | 0 | 112.1 | I93 L99 K100 A101 | I93-D97 PolarHBondContact O-N 3.12Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 2.94Å; D97-K100 PolarHBondContact O-N 2.81Å; D97-A101 VanDerWaalsContact O-CB 3.29Å; D97-A101 WeakPolarHBondContact O-CB 3.47Å; D97-A101 PolarHBondContact O-N 2.97Å |
| 98 | R | 86.2 | Confident | 91.8 | Very high | 196 Ų | 196 | 72.2 Ų | 72.2 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 174.4 | -77.9 | 179.4 | 176.9 | -159.7 | -0.9 | 112.4 | N94 R95 S96 A101 S102 | N94-R98 WeakPolarHBondContact O-CB 3.44Å; N94-R98 VanDerWaalsContact O-CG 3.28Å; N94-R98 WeakPolarHBondContact O-CG 3.4Å; N94-R98 PolarHBondContact O-N 3.46Å; N94-R98 VanDerWaalsContact O-N 3.1Å; R95-R98 PolarHBondContact O-N 3.26Å; S96-R98 PolarHBondContact O-N 2.89Å; R98-A101 PolarHBondContact O-N 3.27Å; R98-S102 PolarHBondContact O-N 2.89Å |
| 99 | L | 85 | Confident | 91.7 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 176.5 | -72 | 169 | 0 | 0 | 0 | 111.3 | R95 S96 D97 A101 S102 | R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.78Å; S96-L99 PolarHBondContact O-N 3.03Å; S96-L99 VanDerWaalsContact O-N 3.15Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 2.94Å; L99-A101 PolarHBondContact O-N 3.31Å; L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.07Å |
| 100 | K | 84.9 | Confident | 91.5 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -25.2 | 175.1 | -70.4 | -168.7 | 177 | -156.6 | 0 | 113.1 | S96 D97 S102 D111 I306 | S96-K100 PolarHBondContact O-N 2.87Å; D97-K100 PolarHBondContact O-N 2.81Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-D111 IonicContact NZ-OD2 2.72Å; K100-D111 PolarHBondContact NZ-OD2 3.36Å; K100-I306 HydrophobicContact CG-CD1 4.29Å |
| 101 | A | 87.2 | Confident | 91.2 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -10.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | D97 R98 L99 R197 | D97-A101 VanDerWaalsContact O-CB 3.29Å; D97-A101 WeakPolarHBondContact O-CB 3.47Å; D97-A101 PolarHBondContact O-N 2.97Å; R98-A101 PolarHBondContact O-N 3.27Å; L99-A101 PolarHBondContact O-N 3.31Å; A101-R197 WeakPolarHBondContact O-CB 3.17Å |
| 102 | S | 91.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -117.8 | 131.6 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | R98 L99 K100 N198 E304 G305 I306 | R98-S102 PolarHBondContact O-N 2.89Å; L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.07Å; K100-S102 VanDerWaalsContact C-N 3.34Å; S102-N198 WeakPolarHBondContact CA-O 3.32Å; S102-N198 PolarHBondContact OG-O 3.44Å; S102-E304 WeakPolarHBondContact CB-O 3.3Å; S102-E304 PolarHBondContact OG-O 2.97Å; S102-G305 WeakPolarHBondContact O-CA 3.49Å; S102-G305 WeakPolarHBondContact OG-CA 3.37Å; S102-I306 PolarHBondContact O-N 2.97Å |
| 103 | G | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.7 | -147.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R197 N198 I306 | G103-R197 PolarHBondContact N-O 2.84Å; G103-R197 WeakPolarHBondContact O-CB 3.44Å; G103-R197 PolarHBondContact O-N 2.89Å; G103-N198 PolarHBondContact N-O 3.38Å; G103-I306 CarbonylContact C-O 3.48Å; G103-I306 WeakPolarHBondContact CA-O 3.14Å |
| 104 | L | 95.2 | Very high | 90 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.4 | -173.5 | -166 | 65.2 | 0 | 0 | 0 | 111.3 | F194 V195 I233 F261 I295 I306 I309 | L104-F194 HydrophobicContact CD1-CB 4.03Å; L104-F194 HydrophobicContact CD1-CD1 3.91Å; L104-F194 HydrophobicContact CD1-CG 4.4Å; L104-F194 HydrophobicContact CD2-CD1 4.01Å; L104-F194 HydrophobicContact CD2-CE1 4.31Å; L104-F194 HydrophobicContact CG-CD1 3.92Å; L104-V195 CarbonylContact C-O 3.56Å; L104-V195 WeakPolarHBondContact CA-O 3.45Å; L104-I233 HydrophobicContact CD1-CD1 4.21Å; L104-I233 HydrophobicContact CD2-CD1 4.36Å; L104-F261 HydrophobicContact CD1-CE2 3.88Å; L104-F261 HydrophobicContact CD1-CZ 3.71Å; L104-I295 HydrophobicContact CD1-CG2 4.03Å; L104-I295 HydrophobicContact CD2-CG2 4.43Å; L104-I306 HydrophobicContact CB-CG2 4.41Å; L104-I306 WeakPolarHBondContact CB-O 3.35Å; L104-I306 PolarHBondContact N-O 3.41Å; L104-I309 HydrophobicContact CB-CD1 4.3Å; L104-I309 HydrophobicContact CD2-CD1 4.18Å; L104-I309 HydrophobicContact CD2-CG1 4.1Å; L104-I309 HydrophobicContact CG-CD1 3.87Å; L104-I309 HydrophobicContact CG-CG1 4.26Å |
| 105 | Y | 95.1 | Very high | 89.5 | Confident | 42 Ų | 42 | 67 Ų | 67 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.7 | 175.9 | 174.2 | -106.3 | 0 | 0 | 0 | 110.8 | V107 D109 Y140 F194 V195 R197 | Y105-V107 HydrophobicContact CD1-CG2 3.79Å; Y105-V107 HydrophobicContact CE1-CG2 3.24Å; Y105-D109 HydrophobicContact CE2-CB 4.33Å; Y105-D109 WeakPolarHBondContact OH-CB 3.43Å; Y105-D109 PolarHBondContact OH-OD2 3.32Å; Y105-Y140 HydrophobicContact CE1-CE2 4.41Å; Y105-F194 CarbonylContact O-C 3.56Å; Y105-F194 WeakPolarHBondContact O-CA 3.34Å; Y105-V195 HydrophobicContact CD1-CB 4.27Å; Y105-V195 HydrophobicContact CD1-CG2 4.08Å; Y105-V195 PolarHBondContact N-O 3.42Å; Y105-V195 PolarHBondContact O-N 3.32Å; Y105-R197 VanDerWaalsContact CG-CZ 3.45Å; Y105-R197 PolarHBondContact OH-NH2 3.49Å |
| 106 | M | 96 | Very high | 89.5 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.9 | -176.7 | 178.4 | 175.8 | 160.3 | 0 | 0 | 110.9 | L110 V192 L193 F194 I309 F311 | M106-L110 HydrophobicContact CE-CD1 3.64Å; M106-L110 HydrophobicContact CE-CG 3.88Å; M106-V192 HydrophobicContact CE-CG1 3.58Å; M106-V192 HydrophobicContact CE-CG2 4.18Å; M106-V192 HydrophobicContact CG-CG1 3.43Å; M106-V192 VanDerWaalsContact CG-CG1 3.43Å; M106-V192 HydrophobicContact SD-CG1 3.9Å; M106-L193 CarbonylContact C-O 3.43Å; M106-L193 WeakPolarHBondContact CA-O 3.3Å; M106-F194 HydrophobicContact CB-CD1 4.4Å; M106-F194 HydrophobicContact CB-CE1 4.09Å; M106-F194 HydrophobicContact CG-CE1 4.31Å; M106-F194 HydrophobicContact CG-CZ 4.4Å; M106-F194 HydrophobicContact SD-CZ 4.39Å; M106-I309 HydrophobicContact CB-CD1 3.83Å; M106-I309 HydrophobicContact CB-CG2 4.29Å; M106-I309 HydrophobicContact SD-CG2 4.11Å; M106-F311 HydrophobicContact CE-CB 4.23Å; M106-F311 HydrophobicContact CE-CD1 4.04Å; M106-F311 HydrophobicContact CE-CD2 3.82Å; M106-F311 HydrophobicContact CE-CE1 4.35Å; M106-F311 HydrophobicContact CE-CE2 4.14Å; M106-F311 HydrophobicContact CE-CG 3.76Å; M106-F311 HydrophobicContact CE-CZ 4.39Å; M106-F311 HydrophobicContact SD-CB 4.13Å; M106-F311 HydrophobicContact SD-CD1 3.6Å; M106-F311 VanDerWaalsContact SD-CD1 3.6Å; M106-F311 HydrophobicContact SD-CD2 4.45Å; M106-F311 HydrophobicContact SD-CE1 4.08Å; M106-F311 HydrophobicContact SD-CG 3.81Å |
| 107 | V | 96 | Very high | 89.7 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.4 | 171 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | Y105 E136 M137 Y140 L193 V195 | Y105-V107 HydrophobicContact CD1-CG2 3.79Å; Y105-V107 HydrophobicContact CE1-CG2 3.24Å; V107-E136 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CG 3.91Å; V107-Y140 HydrophobicContact CG2-CD2 3.91Å; V107-Y140 HydrophobicContact CG2-CE2 4.22Å; V107-Y140 HydrophobicContact CG2-CG 4.15Å; V107-L193 HydrophobicContact CB-CB 4.06Å; V107-L193 HydrophobicContact CB-CD2 4.26Å; V107-L193 PolarHBondContact N-O 2.92Å; V107-L193 PolarHBondContact O-N 2.79Å; V107-V195 HydrophobicContact CG2-CG2 4.3Å |
| 108 | P | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | cis | -64.7 | 152.7 | 2.1 | 30.4 | -38.3 | 0 | 0 | 0 | 113.2 | L110 L118 Y133 E136 | P108-L110 HydrophobicContact CG-CD2 4.28Å; P108-L110 PolarHBondContact O-N 2.84Å; P108-L118 HydrophobicContact CG-CD1 4.41Å; P108-Y133 HydrophobicContact CB-CD1 3.82Å; P108-Y133 HydrophobicContact CB-CG 4.4Å; P108-Y133 HydrophobicContact CG-CD1 3.7Å; P108-Y133 HydrophobicContact CG-CE1 4.41Å; P108-Y133 HydrophobicContact CG-CG 3.97Å; P108-E136 WeakPolarHBondContact CA-OE2 3.08Å; P108-E136 HydrophobicContact CB-CB 4.47Å; P108-E136 WeakPolarHBondContact CB-OE2 3.49Å |
| 109 | D | 92.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | trans | -85.7 | 100.9 | 176.3 | -171 | -11.7 | 0 | 0 | 0 | 109.4 | Y105 D111 M112 H113 E136 | Y105-D109 HydrophobicContact CE2-CB 4.33Å; Y105-D109 WeakPolarHBondContact OH-CB 3.43Å; Y105-D109 PolarHBondContact OH-OD2 3.32Å; D109-D111 PolarHBondContact O-N 2.88Å; D109-D111 WeakPolarHBondContact OD1-CB 3.31Å; D109-D111 PolarHBondContact OD1-N 3.23Å; D109-D111 VanDerWaalsContact OD1-N 3.12Å; D109-M112 HydrophobicContact CB-CB 4.43Å; D109-M112 HydrophobicContact CB-CG 3.96Å; D109-M112 HydrophobicContact CB-SD 4.19Å; D109-M112 PolarHBondContact O-N 3.08Å; D109-M112 VanDerWaalsContact O-N 3.12Å; D109-H113 PolarHBondContact O-CE1 3.42Å; D109-H113 PolarHBondContact O-ND1 3.39Å; D109-E136 PolarHBondContact N-OE2 3.31Å | ||
| 110 | L | 92.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65.3 | -26.4 | -175.8 | -58.1 | 179.7 | 0 | 0 | 0 | 112.6 | M106 P108 M112 H113 S116 L118 Y133 F311 | M106-L110 HydrophobicContact CE-CD1 3.64Å; M106-L110 HydrophobicContact CE-CG 3.88Å; P108-L110 HydrophobicContact CG-CD2 4.28Å; P108-L110 PolarHBondContact O-N 2.84Å; L110-M112 PolarHBondContact O-N 3.28Å; L110-H113 PolarHBondContact O-N 3.12Å; L110-S116 WeakPolarHBondContact O-CA 3.5Å; L110-L118 HydrophobicContact CD1-CB 4.15Å; L110-L118 HydrophobicContact CD2-CB 4.33Å; L110-L118 HydrophobicContact CD2-CD1 4.46Å; L110-Y133 HydrophobicContact CD2-CE1 4.34Å; L110-F311 HydrophobicContact CD1-CB 3.73Å; L110-F311 HydrophobicContact CD1-CD2 4.31Å; L110-F311 HydrophobicContact CD1-CG 4.35Å |
| 111 | D | 87.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -66.8 | -22.2 | 176.8 | -76.9 | -11.5 | 0 | 0 | 0 | 112.1 | K100 D109 H113 | K100-D111 IonicContact NZ-OD2 2.72Å; K100-D111 PolarHBondContact NZ-OD2 3.36Å; D109-D111 PolarHBondContact O-N 2.88Å; D109-D111 WeakPolarHBondContact OD1-CB 3.31Å; D109-D111 PolarHBondContact OD1-N 3.23Å; D109-D111 VanDerWaalsContact OD1-N 3.12Å; D111-H113 VanDerWaalsContact C-N 3.34Å |
| 112 | M | 86.3 | Confident | 90.4 | Very high | 150 Ų | 150 | 42.3 Ų | 42.3 | 74% | 0.739 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -85.4 | -8.1 | 178.9 | -60.4 | -167.6 | 85.4 | 0 | 0 | 113.2 | D109 L110 | D109-M112 HydrophobicContact CB-CB 4.43Å; D109-M112 HydrophobicContact CB-CG 3.96Å; D109-M112 HydrophobicContact CB-SD 4.19Å; D109-M112 PolarHBondContact O-N 3.08Å; D109-M112 VanDerWaalsContact O-N 3.12Å; L110-M112 PolarHBondContact O-N 3.28Å |
| 113 | H | 86.8 | Confident | 90.1 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -94.1 | 157.2 | 180 | -67.1 | 70.9 | 0 | 0 | 0 | 111.2 | D109 L110 D111 I115 Y133 E136 | D109-H113 PolarHBondContact O-CE1 3.42Å; D109-H113 PolarHBondContact O-ND1 3.39Å; L110-H113 PolarHBondContact O-N 3.12Å; D111-H113 VanDerWaalsContact C-N 3.34Å; H113-I115 WeakPolarHBondContact CB-O 3.43Å; H113-I115 PolarHBondContact O-N 2.81Å; H113-Y133 AromaticContact CD2-CE1 3.6Å; H113-Y133 AromaticContact NE2-CD1 3.43Å; H113-Y133 WeakPolarHBondContact NE2-CD1 3.37Å; H113-Y133 AromaticContact NE2-CE1 3.36Å; H113-Y133 WeakPolarHBondContact NE2-CE1 3.5Å; H113-E136 VanDerWaalsContact CE1-CD 3.46Å; H113-E136 IonicContact CE1-OE1 2.78Å; H113-E136 PolarHBondContact CE1-OE1 3.47Å; H113-E136 IonicContact CE1-OE2 3.18Å; H113-E136 PolarHBondContact CE1-OE2 3.29Å; H113-E136 IonicContact NE2-OE1 2.96Å; H113-E136 PolarHBondContact NE2-OE1 2.84Å |
| 114 | D | 83.1 | Confident | 89.8 | Confident | 179 Ų | 179 | 52.1 Ų | 52.1 | 96% | 0.957 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -60.9 | -25.6 | 172.9 | -67.4 | -32.6 | 0 | 0 | 0 | 112.6 | ||
| 115 | I | 81.5 | Confident | 89.5 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -121.1 | 115.8 | 176.4 | -53.5 | 172.9 | 0 | 0 | 0 | 107.4 | H113 V117 | H113-I115 WeakPolarHBondContact CB-O 3.43Å; H113-I115 PolarHBondContact O-N 2.81Å; I115-V117 HydrophobicContact CG2-CB 3.89Å; I115-V117 HydrophobicContact CG2-CG2 4.06Å; I115-V117 PolarHBondContact O-N 3.34Å |
| 116 | S | 88.9 | Confident | 89.2 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | trans | -78.4 | 38.3 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113.5 | L110 | L110-S116 WeakPolarHBondContact O-CA 3.5Š| ||
| 117 | V | 91.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.4 | -173.8 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | I115 V119 Y133 E312 N314 | I115-V117 HydrophobicContact CG2-CB 3.89Å; I115-V117 HydrophobicContact CG2-CG2 4.06Å; I115-V117 PolarHBondContact O-N 3.34Å; V117-V119 PolarHBondContact O-N 2.89Å; V117-Y133 PolarHBondContact O-OH 3.44Å; V117-E312 HydrophobicContact CB-CB 4.5Å; V117-E312 HydrophobicContact CG1-CB 3.92Å; V117-E312 VanDerWaalsContact CG1-O 3.29Å; V117-E312 WeakPolarHBondContact CG1-O 2.98Å; V117-E312 HydrophobicContact CG2-CB 4.14Å; V117-N314 HydrophobicContact CG1-CB 3.53Å |
| 118 | L | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 107.8 | 172.6 | -177.5 | 67.7 | 0 | 0 | 0 | 109.5 | P108 L110 Y133 F185 V192 I280 F311 E312 Y313 N314 | P108-L118 HydrophobicContact CG-CD1 4.41Å; L110-L118 HydrophobicContact CD1-CB 4.15Å; L110-L118 HydrophobicContact CD2-CB 4.33Å; L110-L118 HydrophobicContact CD2-CD1 4.46Å; L118-Y133 HydrophobicContact CD1-CD2 4.17Å; L118-Y133 HydrophobicContact CD1-CE2 4.06Å; L118-F185 HydrophobicContact CD1-CZ 4.21Å; L118-V192 HydrophobicContact CD2-CG2 3.75Å; L118-I280 HydrophobicContact CD2-CD1 3.99Å; L118-F311 HydrophobicContact CB-CD2 4.26Å; L118-F311 HydrophobicContact CD2-CD2 4.48Å; L118-F311 HydrophobicContact CD2-CE2 3.93Å; L118-E312 PolarHBondContact N-O 2.78Å; L118-Y313 HydrophobicContact CD2-CD2 4.22Å; L118-Y313 HydrophobicContact CG-CD2 4.37Å; L118-Y313 CarbonylContact O-C 3.6Å; L118-Y313 VanDerWaalsContact O-CA 3.29Å; L118-Y313 WeakPolarHBondContact O-CA 3.28Å; L118-N314 PolarHBondContact O-N 2.82Å |
| 119 | V | 91.5 | Very high | 88.5 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.2 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | V117 Y126 L129 Y133 N314 P316 | V117-V119 PolarHBondContact O-N 2.89Å; V119-Y126 HydrophobicContact CG1-CD1 4.12Å; V119-L129 HydrophobicContact CB-CD2 3.6Å; V119-L129 HydrophobicContact CG1-CD2 4.02Å; V119-L129 HydrophobicContact CG2-CD2 3.9Å; V119-Y133 PolarHBondContact N-OH 3.14Å; V119-N314 WeakPolarHBondContact CA-O 3.39Å; V119-P316 HydrophobicContact CG1-CG 3.95Å |
| 120 | Y | 89.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | trans | -127 | 123.7 | 169.1 | 179.7 | -104.2 | 0 | 0 | 0 | 110.9 | F185 G188 P190 H284 Y313 N314 N315 | Y120-F185 AromaticContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CE1 4.48Å; Y120-F185 HydrophobicContact CE2-CD1 4.37Å; Y120-F185 VanDerWaalsContact CE2-O 3.3Å; Y120-F185 WeakPolarHBondContact CE2-O 3.39Å; Y120-F185 PolarHBondContact OH-O 2.86Å; Y120-G188 VanDerWaalsContact CZ-CA 3.48Å; Y120-G188 WeakPolarHBondContact OH-CA 3.43Å; Y120-P190 HydrophobicContact CG-CG 4.41Å; Y120-H284 HydrophobicContact CD1-CB 4.23Å; Y120-H284 HydrophobicContact CE1-CB 4.03Å; Y120-Y313 VanDerWaalsContact CB-CE2 3.43Å; Y120-Y313 HydrophobicContact CG-CE2 4.41Å; Y120-N314 PolarHBondContact N-O 3.4Å; Y120-N314 VanDerWaalsContact N-O 3.11Å; Y120-N315 WeakPolarHBondContact O-CA 3.31Å; Y120-N315 PolarHBondContact O-OD1 2.69Å | ||
| 121 | H | 86.5 | Confident | 88.5 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | trans | -146.1 | 138.5 | 167.6 | -164.2 | -83.3 | 0 | 0 | 0 | 108.6 | D123 Y126 R130 N315 P316 | H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD1 3.31Å; H121-D123 PolarHBondContact CE1-OD1 2.85Å; H121-D123 VanDerWaalsContact CE1-OD1 3.23Å; H121-D123 IonicContact CE1-OD2 3.18Å; H121-D123 PolarHBondContact CE1-OD2 2.83Å; H121-D123 VanDerWaalsContact ND1-CB 3.26Å; H121-D123 WeakPolarHBondContact ND1-CB 3.2Å; H121-D123 PolarHBondContact ND1-N 3.35Å; H121-D123 VanDerWaalsContact ND1-N 3.18Å; H121-D123 IonicContact ND1-OD1 2.76Å; H121-D123 PolarHBondContact ND1-OD1 2.86Å; H121-D123 IonicContact ND1-OD2 3.27Å; H121-D123 PolarHBondContact ND1-OD2 2.91Å; H121-D123 PolarHBondContact O-N 2.79Å; H121-Y126 HydrophobicContact CB-CD2 3.37Å; H121-Y126 HydrophobicContact CB-CE2 3.83Å; H121-Y126 HydrophobicContact CB-CG 3.82Å; H121-Y126 AromaticContact CG-CD2 3.66Å; H121-Y126 AromaticContact CG-CE2 3.75Å; H121-Y126 AromaticContact ND1-CD2 3.77Å; H121-Y126 AromaticContact ND1-CE2 3.91Å; H121-R130 PolarHBondContact O-NH2 3.4Å; H121-N315 PolarHBondContact CD2-OD1 2.03Å; H121-P316 PolarHBondContact CD2-O 3.04Å; H121-P316 PolarHBondContact NE2-O 2.97Å | ||
| 122 | P | 83.3 | Confident | 88.8 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -65.6 | -30.8 | -178.2 | 24.2 | -33.6 | 0 | 0 | 0 | 113 | R130 | P122-R130 PolarHBondContact O-NH2 3.35Š|
| 123 | D | 86.2 | Confident | 89.2 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -51.8 | 143.5 | -178.3 | -68.5 | 0.3 | 0 | 0 | 0 | 114.2 | H121 K125 Y126 R130 | H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD1 3.31Å; H121-D123 PolarHBondContact CE1-OD1 2.85Å; H121-D123 VanDerWaalsContact CE1-OD1 3.23Å; H121-D123 IonicContact CE1-OD2 3.18Å; H121-D123 PolarHBondContact CE1-OD2 2.83Å; H121-D123 VanDerWaalsContact ND1-CB 3.26Å; H121-D123 WeakPolarHBondContact ND1-CB 3.2Å; H121-D123 PolarHBondContact ND1-N 3.35Å; H121-D123 VanDerWaalsContact ND1-N 3.18Å; H121-D123 IonicContact ND1-OD1 2.76Å; H121-D123 PolarHBondContact ND1-OD1 2.86Å; H121-D123 IonicContact ND1-OD2 3.27Å; H121-D123 PolarHBondContact ND1-OD2 2.91Å; H121-D123 PolarHBondContact O-N 2.79Å; D123-K125 HydrophobicContact CB-CB 4.5Å; D123-K125 PolarHBondContact O-N 3.27Å; D123-K125 VanDerWaalsContact O-N 3.12Å; D123-Y126 HydrophobicContact CB-CD2 4.26Å; D123-Y126 PolarHBondContact O-N 2.85Å; D123-Y126 VanDerWaalsContact O-N 3.1Å; D123-R130 PolarHBondContact O-NH2 2.04Å |
| 124 | E | 86.9 | Confident | 89.6 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -58 | -25.4 | 176.2 | -72.5 | -72.9 | 149.7 | 0 | 0 | 112.8 | Y126 K127 | E124-Y126 PolarHBondContact O-N 2.66Å; E124-K127 WeakPolarHBondContact O-CB 3.28Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 VanDerWaalsContact O-N 3.15Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.05Å; E124-K127 WeakPolarHBondContact OE2-CD 3.07Å; E124-K127 IonicContact OE2-NZ 3.03Å; E124-K127 PolarHBondContact OE2-NZ 3.4Å |
| 125 | K | 88.3 | Confident | 90.2 | Very high | 161 Ų | 161 | 57.9 Ų | 57.9 | 70% | 0.7 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -55.5 | -37.6 | 175.1 | -177.5 | -175.8 | 175.5 | -170.2 | 0 | 112.6 | D123 P128 | D123-K125 HydrophobicContact CB-CB 4.5Å; D123-K125 PolarHBondContact O-N 3.27Å; D123-K125 VanDerWaalsContact O-N 3.12Å; K125-P128 WeakPolarHBondContact O-CD 3.25Å |
| 126 | Y | 88.2 | Confident | 90.9 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -95.4 | 3 | -176.6 | -61.7 | -82.3 | 0 | 0 | 0 | 113.2 | V119 H121 D123 E124 P128 L129 R130 P316 | V119-Y126 HydrophobicContact CG1-CD1 4.12Å; H121-Y126 HydrophobicContact CB-CD2 3.37Å; H121-Y126 HydrophobicContact CB-CE2 3.83Å; H121-Y126 HydrophobicContact CB-CG 3.82Å; H121-Y126 AromaticContact CG-CD2 3.66Å; H121-Y126 AromaticContact CG-CE2 3.75Å; H121-Y126 AromaticContact ND1-CD2 3.77Å; H121-Y126 AromaticContact ND1-CE2 3.91Å; D123-Y126 HydrophobicContact CB-CD2 4.26Å; D123-Y126 PolarHBondContact O-N 2.85Å; D123-Y126 VanDerWaalsContact O-N 3.1Å; E124-Y126 PolarHBondContact O-N 2.66Å; Y126-P128 VanDerWaalsContact C-CD 3.5Å; Y126-L129 PolarHBondContact O-N 2.76Å; Y126-R130 PolarHBondContact O-N 2.84Å; Y126-P316 HydrophobicContact CE1-CB 4.26Å; Y126-P316 HydrophobicContact CE1-CG 3.89Å; Y126-P316 HydrophobicContact CE2-CB 4.48Å; Y126-P316 VanDerWaalsContact OH-CB 3.25Å; Y126-P316 WeakPolarHBondContact OH-CB 3.25Å |
| 127 | K | 91 | Very high | 91.2 | Very high | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 178.3 | -174.6 | 173.8 | -178.9 | 173.9 | 0 | 114 | E124 L129 R130 S131 | E124-K127 WeakPolarHBondContact O-CB 3.28Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 VanDerWaalsContact O-N 3.15Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.05Å; E124-K127 WeakPolarHBondContact OE2-CD 3.07Å; E124-K127 IonicContact OE2-NZ 3.03Å; E124-K127 PolarHBondContact OE2-NZ 3.4Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.49Å; K127-R130 PolarHBondContact O-N 3.37Å; K127-S131 PolarHBondContact O-N 3.04Å; K127-S131 PolarHBondContact O-OG 2.89Å; K127-S131 VanDerWaalsContact O-OG 3.13Å |
| 128 | P | 91.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 53% | 0.532 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 177.5 | -24.1 | 35.5 | 0 | 0 | 0 | 113.5 | K125 Y126 S131 T132 | K125-P128 WeakPolarHBondContact O-CD 3.25Å; Y126-P128 VanDerWaalsContact C-CD 3.5Å; P128-S131 WeakPolarHBondContact CA-OG 3.02Å; P128-S131 PolarHBondContact O-OG 3.28Å; P128-T132 PolarHBondContact O-N 2.69Å; P128-T132 VanDerWaalsContact O-N 3.16Å; P128-T132 PolarHBondContact O-OG1 3.5Å |
| 129 | L | 90.7 | Very high | 91.5 | Very high | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.7 | -46.6 | 177.1 | -177.1 | 56.6 | 0 | 0 | 0 | 110.4 | V119 Y126 K127 S131 T132 Y133 | V119-L129 HydrophobicContact CB-CD2 3.6Å; V119-L129 HydrophobicContact CG1-CD2 4.02Å; V119-L129 HydrophobicContact CG2-CD2 3.9Å; Y126-L129 PolarHBondContact O-N 2.76Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.49Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.39Å; L129-T132 VanDerWaalsContact O-CB 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.48Å; L129-T132 PolarHBondContact O-N 2.84Å; L129-T132 VanDerWaalsContact O-N 3.09Å; L129-Y133 HydrophobicContact CD1-CE1 3.99Å; L129-Y133 HydrophobicContact CD1-CE2 4.31Å; L129-Y133 HydrophobicContact CG-CE1 4.46Å; L129-Y133 HydrophobicContact CG-CE2 3.87Å; L129-Y133 PolarHBondContact O-N 3.15Å |
| 130 | R | 91.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 174.2 | -170.7 | -162.3 | -52.9 | 151.9 | 6.9 | 112.8 | H121 P122 D123 Y126 K127 T132 Y133 I134 F185 | H121-R130 PolarHBondContact O-NH2 3.4Å; P122-R130 PolarHBondContact O-NH2 3.35Å; D123-R130 PolarHBondContact O-NH2 2.04Å; Y126-R130 PolarHBondContact O-N 2.84Å; K127-R130 PolarHBondContact O-N 3.37Å; R130-T132 VanDerWaalsContact C-N 3.27Å; R130-T132 PolarHBondContact O-N 3.48Å; R130-Y133 PolarHBondContact O-N 3.35Å; R130-I134 HydrophobicContact CG-CD1 4.07Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.03Å; R130-I134 VanDerWaalsContact O-N 3.08Å; R130-F185 HydrophobicContact CG-CB 3.78Å; R130-F185 HydrophobicContact CG-CD1 3.6Å; R130-F185 HydrophobicContact CG-CE1 4.38Å; R130-F185 HydrophobicContact CG-CG 3.88Å |
| 131 | S | 93.3 | Very high | 91.9 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | K127 P128 L129 I134 D135 | K127-S131 PolarHBondContact O-N 3.04Å; K127-S131 PolarHBondContact O-OG 2.89Å; K127-S131 VanDerWaalsContact O-OG 3.13Å; P128-S131 WeakPolarHBondContact CA-OG 3.02Å; P128-S131 PolarHBondContact O-OG 3.28Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.39Å; S131-I134 PolarHBondContact O-N 3.2Å; S131-D135 VanDerWaalsContact O-CB 3.3Å; S131-D135 WeakPolarHBondContact O-CB 3.44Å; S131-D135 PolarHBondContact O-N 2.98Å |
| 132 | T | 94.2 | Very high | 92.3 | Very high | 58 Ų | 58 | 66 Ų | 66 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | P128 L129 R130 I134 D135 E136 | P128-T132 PolarHBondContact O-N 2.69Å; P128-T132 VanDerWaalsContact O-N 3.16Å; P128-T132 PolarHBondContact O-OG1 3.5Å; L129-T132 VanDerWaalsContact O-CB 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.48Å; L129-T132 PolarHBondContact O-N 2.84Å; L129-T132 VanDerWaalsContact O-N 3.09Å; R130-T132 VanDerWaalsContact C-N 3.27Å; R130-T132 PolarHBondContact O-N 3.48Å; T132-I134 PolarHBondContact O-N 3.29Å; T132-D135 PolarHBondContact O-N 3.37Å; T132-E136 WeakPolarHBondContact O-CG 3.18Å; T132-E136 PolarHBondContact O-N 3.35Å |
| 133 | Y | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 175.4 | -55.7 | -34 | 0 | 0 | 0 | 112.5 | P108 L110 H113 V117 L118 V119 L129 R130 D135 E136 M137 F185 | P108-Y133 HydrophobicContact CB-CD1 3.82Å; P108-Y133 HydrophobicContact CB-CG 4.4Å; P108-Y133 HydrophobicContact CG-CD1 3.7Å; P108-Y133 HydrophobicContact CG-CE1 4.41Å; P108-Y133 HydrophobicContact CG-CG 3.97Å; L110-Y133 HydrophobicContact CD2-CE1 4.34Å; H113-Y133 AromaticContact CD2-CE1 3.6Å; H113-Y133 AromaticContact NE2-CD1 3.43Å; H113-Y133 WeakPolarHBondContact NE2-CD1 3.37Å; H113-Y133 AromaticContact NE2-CE1 3.36Å; H113-Y133 WeakPolarHBondContact NE2-CE1 3.5Å; V117-Y133 PolarHBondContact O-OH 3.44Å; L118-Y133 HydrophobicContact CD1-CD2 4.17Å; L118-Y133 HydrophobicContact CD1-CE2 4.06Å; V119-Y133 PolarHBondContact N-OH 3.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.99Å; L129-Y133 HydrophobicContact CD1-CE2 4.31Å; L129-Y133 HydrophobicContact CG-CE1 4.46Å; L129-Y133 HydrophobicContact CG-CE2 3.87Å; L129-Y133 PolarHBondContact O-N 3.15Å; R130-Y133 PolarHBondContact O-N 3.35Å; Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 2.91Å; Y133-E136 PolarHBondContact O-N 2.9Å; Y133-M137 VanDerWaalsContact O-CG 3.27Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 3.28Å; Y133-M137 VanDerWaalsContact O-N 3.07Å; Y133-F185 AromaticContact CD2-CE1 3.92Å; Y133-F185 HydrophobicContact CD2-CE1 3.92Å; Y133-F185 AromaticContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CG-CZ 4.45Å |
| 134 | I | 95.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.5 | -69.1 | 167 | 0 | 0 | 0 | 111.1 | R130 S131 T132 S138 Y183 F185 | R130-I134 HydrophobicContact CG-CD1 4.07Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.03Å; R130-I134 VanDerWaalsContact O-N 3.08Å; S131-I134 PolarHBondContact O-N 3.2Å; T132-I134 PolarHBondContact O-N 3.29Å; I134-S138 VanDerWaalsContact O-CB 3.28Å; I134-S138 WeakPolarHBondContact O-CB 3.38Å; I134-S138 PolarHBondContact O-N 3.22Å; I134-S138 PolarHBondContact O-OG 3.41Å; I134-Y183 HydrophobicContact CB-CD2 4.4Å; I134-Y183 HydrophobicContact CG1-CD2 4.41Å; I134-Y183 HydrophobicContact CG2-CD2 4.03Å; I134-Y183 HydrophobicContact CG2-CE2 4.13Å; I134-Y183 WeakPolarHBondContact O-CE2 3.46Å; I134-F185 HydrophobicContact CD1-CB 4.25Å; I134-F185 HydrophobicContact CG1-CD2 4.1Å |
| 135 | D | 95.9 | Very high | 92.9 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | -179.8 | -73.5 | -15.1 | 0 | 0 | 0 | 111.3 | S131 T132 Y133 S138 R139 | S131-D135 VanDerWaalsContact O-CB 3.3Å; S131-D135 WeakPolarHBondContact O-CB 3.44Å; S131-D135 PolarHBondContact O-N 2.98Å; T132-D135 PolarHBondContact O-N 3.37Å; Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 2.91Å; D135-S138 PolarHBondContact O-N 3.45Å; D135-R139 VanDerWaalsContact O-CB 3.23Å; D135-R139 WeakPolarHBondContact O-CB 3.25Å; D135-R139 PolarHBondContact O-N 2.88Å |
| 136 | E | 95.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.1 | -75.6 | -175.4 | -167 | 0 | 0 | 112.3 | V107 P108 D109 H113 T132 Y133 S138 R139 Y140 | V107-E136 HydrophobicContact CG1-CB 4.49Å; P108-E136 WeakPolarHBondContact CA-OE2 3.08Å; P108-E136 HydrophobicContact CB-CB 4.47Å; P108-E136 WeakPolarHBondContact CB-OE2 3.49Å; D109-E136 PolarHBondContact N-OE2 3.31Å; H113-E136 VanDerWaalsContact CE1-CD 3.46Å; H113-E136 IonicContact CE1-OE1 2.78Å; H113-E136 PolarHBondContact CE1-OE1 3.47Å; H113-E136 IonicContact CE1-OE2 3.18Å; H113-E136 PolarHBondContact CE1-OE2 3.29Å; H113-E136 IonicContact NE2-OE1 2.96Å; H113-E136 PolarHBondContact NE2-OE1 2.84Å; T132-E136 WeakPolarHBondContact O-CG 3.18Å; T132-E136 PolarHBondContact O-N 3.35Å; Y133-E136 PolarHBondContact O-N 2.9Å; E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.25Å; E136-R139 PolarHBondContact O-N 3.3Å; E136-Y140 WeakPolarHBondContact O-CB 3.45Å; E136-Y140 PolarHBondContact O-N 3.36Å |
| 137 | M | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.6 | -64.1 | 165.2 | 78.4 | 0 | 0 | 111.3 | V107 Y133 Y140 L141 Y183 F185 C191 L193 F277 | V107-M137 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CG 3.91Å; Y133-M137 VanDerWaalsContact O-CG 3.27Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 3.28Å; Y133-M137 VanDerWaalsContact O-N 3.07Å; M137-Y140 PolarHBondContact O-N 3.49Å; M137-L141 WeakPolarHBondContact O-CB 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.36Å; M137-Y183 HydrophobicContact CB-CD2 3.9Å; M137-Y183 HydrophobicContact CB-CE1 4.49Å; M137-Y183 HydrophobicContact CB-CE2 3.73Å; M137-Y183 HydrophobicContact CB-CG 4.37Å; M137-Y183 HydrophobicContact CE-CD1 3.89Å; M137-Y183 HydrophobicContact CE-CD2 4.14Å; M137-Y183 HydrophobicContact CE-CG 3.58Å; M137-Y183 HydrophobicContact SD-CD2 4.08Å; M137-Y183 HydrophobicContact SD-CG 4.09Å; M137-F185 HydrophobicContact SD-CE2 4.18Å; M137-C191 WeakPolarHBondContact CE-O 3.04Å; M137-L193 HydrophobicContact CE-CB 4.43Å; M137-F277 HydrophobicContact CE-CD1 4.12Å; M137-F277 HydrophobicContact CE-CE1 3.31Å; M137-F277 HydrophobicContact CE-CZ 4.11Å |
| 138 | S | 95.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.9 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | I134 D135 E136 L141 E142 Y183 | I134-S138 VanDerWaalsContact O-CB 3.28Å; I134-S138 WeakPolarHBondContact O-CB 3.38Å; I134-S138 PolarHBondContact O-N 3.22Å; I134-S138 PolarHBondContact O-OG 3.41Å; D135-S138 PolarHBondContact O-N 3.45Å; E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.25Å; S138-L141 PolarHBondContact O-N 3.33Å; S138-E142 PolarHBondContact O-N 2.93Å; S138-Y183 VanDerWaalsContact CA-OH 3.31Å; S138-Y183 WeakPolarHBondContact CA-OH 3.46Å; S138-Y183 WeakPolarHBondContact OG-CE2 3.46Å; S138-Y183 PolarHBondContact OG-OH 3.49Å |
| 139 | R | 95.8 | Very high | 90.3 | Very high | 163 Ų | 163 | 58.8 Ų | 58.8 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 178.1 | -174.3 | -178.9 | -62.9 | 132.2 | 4.8 | 111.2 | D135 E136 E142 | D135-R139 VanDerWaalsContact O-CB 3.23Å; D135-R139 WeakPolarHBondContact O-CB 3.25Å; D135-R139 PolarHBondContact O-N 2.88Å; E136-R139 PolarHBondContact O-N 3.3Å; R139-E142 WeakPolarHBondContact O-CB 3.41Å; R139-E142 PolarHBondContact O-N 2.99Å |
| 140 | Y | 94.5 | Very high | 89 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.8 | -163.7 | -84.1 | 0 | 0 | 0 | 111.7 | Y105 V107 E136 M137 E142 Y144 L193 V195 L275 | Y105-Y140 HydrophobicContact CE1-CE2 4.41Å; V107-Y140 HydrophobicContact CG2-CD2 3.91Å; V107-Y140 HydrophobicContact CG2-CE2 4.22Å; V107-Y140 HydrophobicContact CG2-CG 4.15Å; E136-Y140 WeakPolarHBondContact O-CB 3.45Å; E136-Y140 PolarHBondContact O-N 3.36Å; M137-Y140 PolarHBondContact O-N 3.49Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.26Å; Y140-Y144 HydrophobicContact CD1-CE2 4.14Å; Y140-Y144 AromaticContact CE1-CE2 3.76Å; Y140-Y144 HydrophobicContact CE1-CE2 3.76Å; Y140-L193 HydrophobicContact CD1-CD2 3.75Å; Y140-L193 HydrophobicContact CE1-CD2 4.36Å; Y140-L193 HydrophobicContact CG-CD2 4.4Å; Y140-V195 HydrophobicContact CD1-CG2 4.49Å; Y140-V195 HydrophobicContact CE1-CG1 4.41Å; Y140-V195 HydrophobicContact CE1-CG2 3.69Å; Y140-V195 VanDerWaalsContact OH-CG1 3.29Å; Y140-V195 WeakPolarHBondContact OH-CG1 3.47Å; Y140-L275 HydrophobicContact CE1-CD2 4.05Å |
| 141 | L | 94.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.8 | -11.5 | -179.9 | -73.5 | 170.4 | 0 | 0 | 0 | 114.2 | M137 S138 V143 Y144 R145 L173 Y183 L193 L275 F277 | M137-L141 WeakPolarHBondContact O-CB 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.36Å; S138-L141 PolarHBondContact O-N 3.33Å; L141-V143 VanDerWaalsContact C-N 3.28Å; L141-V143 PolarHBondContact O-N 2.84Å; L141-Y144 HydrophobicContact CD2-CD2 4.38Å; L141-Y144 WeakPolarHBondContact O-CB 3.23Å; L141-Y144 PolarHBondContact O-N 3.39Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; L141-R145 WeakPolarHBondContact O-CG 3.5Å; L141-R145 PolarHBondContact O-N 2.97Å; L141-L173 HydrophobicContact CD2-CD1 3.9Å; L141-Y183 HydrophobicContact CD1-CE1 3.58Å; L141-Y183 WeakPolarHBondContact CD1-OH 3.16Å; L141-L193 HydrophobicContact CD2-CD2 4.35Å; L141-L193 HydrophobicContact CG-CD2 4.28Å; L141-L275 HydrophobicContact CD2-CD1 3.51Å; L141-F277 HydrophobicContact CD1-CE2 4.36Å; L141-F277 HydrophobicContact CD1-CZ 3.85Å |
| 142 | E | 93.3 | Very high | 86.5 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.4 | -173.1 | 177 | -178.7 | 0 | 0 | 111.8 | S138 R139 Y140 Y144 R145 N146 | S138-E142 PolarHBondContact O-N 2.93Å; R139-E142 WeakPolarHBondContact O-CB 3.41Å; R139-E142 PolarHBondContact O-N 2.99Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.26Å; E142-Y144 PolarHBondContact O-N 3.37Å; E142-R145 PolarHBondContact O-N 3.39Å; E142-R145 VanDerWaalsContact O-N 3.13Å; E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.85Å |
| 143 | V | 90.8 | Very high | 85.1 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 53% | 0.527 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 177.6 | -176 | 0 | 0 | 0 | 0 | 111.4 | L141 L272 | L141-V143 VanDerWaalsContact C-N 3.28Å; L141-V143 PolarHBondContact O-N 2.84Å; V143-L272 HydrophobicContact CG1-CD1 4.27Å; V143-L272 HydrophobicContact CG1-CD2 3.72Å |
| 144 | Y | 90.4 | Very high | 83.5 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74 | -33.5 | 177.4 | -67.6 | -100.7 | 0 | 0 | 0 | 111.9 | Y140 L141 E142 Q147 F168 L272 P273 L275 | Y140-Y144 HydrophobicContact CD1-CE2 4.14Å; Y140-Y144 AromaticContact CE1-CE2 3.76Å; Y140-Y144 HydrophobicContact CE1-CE2 3.76Å; L141-Y144 HydrophobicContact CD2-CD2 4.38Å; L141-Y144 WeakPolarHBondContact O-CB 3.23Å; L141-Y144 PolarHBondContact O-N 3.39Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; E142-Y144 PolarHBondContact O-N 3.37Å; Y144-Q147 WeakPolarHBondContact O-CG 3.35Å; Y144-Q147 PolarHBondContact O-NE2 3.48Å; Y144-F168 HydrophobicContact CD1-CB 3.92Å; Y144-F168 AromaticContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CE1 4.49Å; Y144-F168 AromaticContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CE1-CB 4.23Å; Y144-F168 HydrophobicContact CE1-CD1 4.16Å; Y144-F168 HydrophobicContact CE1-CG 4.09Å; Y144-L272 HydrophobicContact CD1-CB 4.32Å; Y144-L272 HydrophobicContact CD1-CD1 3.84Å; Y144-L272 HydrophobicContact CD2-CD1 4.48Å; Y144-L272 HydrophobicContact CE1-CB 3.68Å; Y144-L272 HydrophobicContact CE1-CD1 4.02Å; Y144-L272 HydrophobicContact CE1-CG 4.42Å; Y144-L272 HydrophobicContact CG-CD1 4.09Å; Y144-P273 WeakPolarHBondContact CE1-O 3.4Å; Y144-P273 VanDerWaalsContact OH-CD 3.27Å; Y144-P273 WeakPolarHBondContact OH-CD 3.31Å; Y144-P273 VanDerWaalsContact OH-CG 3.31Å; Y144-P273 WeakPolarHBondContact OH-CG 3.41Å; Y144-P273 PolarHBondContact OH-O 3.24Å; Y144-L275 HydrophobicContact CD1-CD1 3.76Å; Y144-L275 HydrophobicContact CD1-CG 4.49Å; Y144-L275 HydrophobicContact CD2-CD1 4.06Å; Y144-L275 HydrophobicContact CE1-CD1 3.49Å; Y144-L275 VanDerWaalsContact CE1-CD1 3.49Å; Y144-L275 HydrophobicContact CE1-CD2 4.4Å; Y144-L275 HydrophobicContact CE1-CG 3.78Å; Y144-L275 HydrophobicContact CE2-CD1 3.84Å; Y144-L275 HydrophobicContact CE2-CD2 4.4Å; Y144-L275 HydrophobicContact CE2-CG 4.45Å; Y144-L275 HydrophobicContact CG-CD1 4.03Å; Y144-L275 WeakPolarHBondContact OH-CD2 3.46Å |
| 145 | R | 88.7 | Confident | 81.7 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 42% | 0.415 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.5 | -34.3 | 177.1 | -66.4 | 175 | -170.6 | 140.4 | 1.9 | 112.5 | L141 E142 Q147 V170 Y183 | L141-R145 WeakPolarHBondContact O-CG 3.5Å; L141-R145 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 3.39Å; E142-R145 VanDerWaalsContact O-N 3.13Å; R145-Q147 VanDerWaalsContact C-N 3.26Å; R145-Q147 PolarHBondContact O-N 2.81Å; R145-V170 HydrophobicContact CG-CG2 4.24Å; R145-Y183 PolarHBondContact NH2-OH 2.77Å |
| 146 | N | 86.3 | Confident | 79.6 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 18.7 | -179 | -68.1 | -18.1 | 0 | 0 | 0 | 113.4 | E142 | E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.85Å |
| 147 | Q | 80.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | trans | -58.7 | 136.1 | 173.3 | -83.5 | -180 | 98.3 | 0 | 0 | 110.9 | Y144 R145 L151 R167 F168 L272 | Y144-Q147 WeakPolarHBondContact O-CG 3.35Å; Y144-Q147 PolarHBondContact O-NE2 3.48Å; R145-Q147 VanDerWaalsContact C-N 3.26Å; R145-Q147 PolarHBondContact O-N 2.81Å; Q147-L151 HydrophobicContact CB-CD1 3.69Å; Q147-L151 HydrophobicContact CG-CD1 3.87Å; Q147-R167 HydrophobicContact CB-CG 4.45Å; Q147-F168 PolarHBondContact NE2-O 2.78Å; Q147-F168 VanDerWaalsContact OE1-N 3.09Å; Q147-L272 HydrophobicContact CG-CD1 3.74Å | ||
| 148 | S | 72.1 | Confident | 75 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 43% | 0.427 | 44% | 0.436 | S | S | . | . | trans | -57.9 | 139.1 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | E150 L151 | S148-E150 PolarHBondContact O-N 2.92Å; S148-E150 PolarHBondContact OG-N 3.21Å; S148-L151 WeakPolarHBondContact O-CB 3.31Å; S148-L151 PolarHBondContact O-N 2.95Å | ||
| 149 | S | 66.6 | Low | 72.6 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.1 | 173.8 | 55 | 0 | 0 | 0 | 0 | 114 | L151 | S149-L151 VanDerWaalsContact C-N 3.28Š|
| 150 | E | 62.4 | Low | 70.2 | Confident | 167 Ų | 167 | 86 Ų | 86 | 78% | 0.78 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.1 | 173.6 | -63 | -177 | 169.2 | 0 | 0 | 112.8 | S148 | S148-E150 PolarHBondContact O-N 2.92Å; S148-E150 PolarHBondContact OG-N 3.21Å |
| 151 | L | 65.6 | Low | 68.1 | Low | 23 Ų | 23 | 84.2 Ų | 84.2 | 12% | 0.12 | 47% | 0.465 | C | S | . | . | trans | -69.7 | 133.8 | 174.1 | -63.2 | 164.3 | 0 | 0 | 0 | 109.5 | Q147 S148 S149 I165 R167 M271 | Q147-L151 HydrophobicContact CB-CD1 3.69Å; Q147-L151 HydrophobicContact CG-CD1 3.87Å; S148-L151 WeakPolarHBondContact O-CB 3.31Å; S148-L151 PolarHBondContact O-N 2.95Å; S149-L151 VanDerWaalsContact C-N 3.28Å; L151-I165 HydrophobicContact CD2-CB 3.55Å; L151-I165 HydrophobicContact CD2-CG2 3.41Å; L151-I165 VanDerWaalsContact CD2-CG2 3.41Å; L151-R167 HydrophobicContact CB-CB 3.68Å; L151-R167 HydrophobicContact CB-CG 4.02Å; L151-M271 HydrophobicContact CD2-CE 4.04Å | ||
| 152 | R | 66.1 | Low | 65.9 | Low | 172 Ų | 172 | 93.2 Ų | 93.2 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | B | Isolated β-bridge | trans | -107.3 | 152 | -177.5 | -67.9 | -70.1 | -178.2 | 133.3 | -2.3 | 110.7 | C154 R167 | R152-C154 PolarHBondContact O-N 3.07Å; R152-R167 PolarHBondContact O-N 2.85Å |
| 153 | D | 64.7 | Low | 64 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | trans | -67.8 | 125.6 | 172.7 | -58.8 | -23.1 | 0 | 0 | 0 | 108.9 | D155 R167 | D153-D155 PolarHBondContact O-N 3.34Å; D153-R167 IonicContact OD1-CZ 3.51Å; D153-R167 VanDerWaalsContact OD1-CZ 3.27Å; D153-R167 IonicContact OD1-NE 3.11Å; D153-R167 PolarHBondContact OD1-NE 3.37Å; D153-R167 IonicContact OD1-NH2 2.81Å; D153-R167 PolarHBondContact OD1-NH2 2.74Å; D153-R167 IonicContact OD2-NH2 3.26Å; D153-R167 PolarHBondContact OD2-NH2 2.69Å | ||
| 154 | C | 62.2 | Low | 62.7 | Low | 31 Ų | 31 | 96.8 Ų | 96.8 | 21% | 0.209 | 52% | 0.519 | C | S | . | . | trans | -90.9 | 89.9 | -177.7 | -80.2 | 0 | 0 | 0 | 0 | 110.5 | R152 C166 T264 | R152-C154 PolarHBondContact O-N 3.07Å; C154-C166 HydrophobicContact CB-CB 3.71Å; C154-C166 WeakPolarHBondContact CB-SG 3.33Å; C154-C166 WeakPolarHBondContact SG-CA 3.24Å; C154-C166 WeakPolarHBondContact SG-CB 3.33Å; C154-C166 CovalentContact SG-SG 2.01Å; C154-C166 PolarHBondContact SG-SG 2.97Å; C154-T264 HydrophobicContact CB-CG2 4.33Å | ||
| 155 | D | 57.1 | Low | 61.6 | Low | 110 Ų | 110 | 99.8 Ų | 99.8 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | trans | -79.6 | 121.8 | 162 | -75 | -22.3 | 0 | 0 | 0 | 109.3 | D153 S157 T158 | D153-D155 PolarHBondContact O-N 3.34Å; D155-S157 PolarHBondContact O-N 2.89Å; D155-T158 PolarHBondContact O-N 3.28Å | ||
| 156 | L | 52.8 | Low | 61 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -27.6 | 174.9 | -78.9 | 151.9 | 0 | 0 | 0 | 113 | N229 | L156-N229 HydrophobicContact CD1-CB 4.15Š|
| 157 | S | 49.2 | Very low | 60.8 | Low | 104 Ų | 104 | 92.7 Ų | 92.7 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.4 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 115 | D155 | D155-S157 PolarHBondContact O-N 2.89Š|
| 158 | T | 45.4 | Very low | 61.1 | Low | 92 Ų | 92 | 91.3 Ų | 91.3 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -121.8 | 9 | -168 | -37.5 | 0 | 0 | 0 | 0 | 113.7 | D155 T160 | D155-T158 PolarHBondContact O-N 3.28Å; T158-T160 VanDerWaalsContact C-N 3.33Å; T158-T160 PolarHBondContact O-N 3.36Å |
| 159 | S | 44.5 | Very low | 61.8 | Low | 71 Ų | 71 | 90.5 Ų | 90.5 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -83.7 | 69 | -177.7 | -161.7 | 0 | 0 | 0 | 0 | 113.2 | G161 | S159-G161 VanDerWaalsContact C-N 3.27Š| ||
| 160 | T | 46.7 | Very low | 62.8 | Low | 146 Ų | 146 | 86.6 Ų | 86.6 | 90% | 0.896 | 46% | 0.456 | S | S | * | . | trans | -91.4 | 18.4 | 166 | -36.6 | 0 | 0 | 0 | 0 | 111.9 | T158 | T158-T160 VanDerWaalsContact C-N 3.33Å; T158-T160 PolarHBondContact O-N 3.36Å | ||
| 161 | G | 49 | Very low | 64 | Low | 24 Ų | 24 | 82.1 Ų | 82.1 | 25% | 0.247 | 44% | 0.443 | C | S | . | . | trans | -121.9 | 106.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S159 N163 K164 | S159-G161 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3.28Å; G161-K164 PolarHBondContact O-N 2.83Å | ||
| 162 | K | 49.6 | Very low | 65.2 | Low | 190 Ų | 190 | 85.6 Ų | 85.6 | 83% | 0.826 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -3.8 | -174.2 | -70.8 | -173.5 | 174.7 | -173.9 | 0 | 116.9 | ||
| 163 | N | 53.9 | Low | 66.4 | Low | 158 Ų | 158 | 77.5 Ų | 77.5 | 85% | 0.845 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 24.8 | -173.4 | -79.8 | 10.2 | 0 | 0 | 0 | 114.4 | G161 | G161-N163 PolarHBondContact O-N 3.28Š|
| 164 | K | 61.7 | Low | 67.6 | Low | 108 Ų | 108 | 74.3 Ų | 74.3 | 47% | 0.47 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 123.6 | 176.6 | -67.4 | -176.1 | -179.4 | 177.4 | 0 | 110.2 | G161 | G161-K164 PolarHBondContact O-N 2.83Š|
| 165 | I | 68 | Low | 69 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 127.8 | 172.2 | -54.6 | 173.9 | 0 | 0 | 0 | 108.6 | L151 H269 M271 | L151-I165 HydrophobicContact CD2-CB 3.55Å; L151-I165 HydrophobicContact CD2-CG2 3.41Å; L151-I165 VanDerWaalsContact CD2-CG2 3.41Å; I165-H269 CarbonylContact C-O 3.53Å; I165-H269 WeakPolarHBondContact CA-O 3.47Å; I165-M271 HydrophobicContact CD1-CE 3.84Å; I165-M271 HydrophobicContact CD1-CG 4.43Å; I165-M271 HydrophobicContact CD1-SD 4.34Å; I165-M271 HydrophobicContact CG2-CB 4.45Å; I165-M271 HydrophobicContact CG2-CE 3.89Å; I165-M271 HydrophobicContact CG2-CG 4Å |
| 166 | C | 76 | Confident | 70.6 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.034 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 129 | -176.2 | -60 | 0 | 0 | 0 | 0 | 112.1 | C154 F265 H269 | C154-C166 HydrophobicContact CB-CB 3.71Å; C154-C166 WeakPolarHBondContact CB-SG 3.33Å; C154-C166 WeakPolarHBondContact SG-CA 3.24Å; C154-C166 WeakPolarHBondContact SG-CB 3.33Å; C154-C166 CovalentContact SG-SG 2.01Å; C154-C166 PolarHBondContact SG-SG 2.97Å; C166-F265 HydrophobicContact CB-CD1 4.48Å; C166-F265 HydrophobicContact CB-CE1 3.94Å; C166-F265 HydrophobicContact CB-CZ 4.32Å; C166-H269 PolarHBondContact N-O 3.17Å |
| 167 | R | 82.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 131.2 | 167.4 | -164.5 | 175.3 | 65.5 | 111 | 0.7 | 109.4 | Q147 L151 R152 D153 | Q147-R167 HydrophobicContact CB-CG 4.45Å; L151-R167 HydrophobicContact CB-CB 3.68Å; L151-R167 HydrophobicContact CB-CG 4.02Å; R152-R167 PolarHBondContact O-N 2.85Å; D153-R167 IonicContact OD1-CZ 3.51Å; D153-R167 VanDerWaalsContact OD1-CZ 3.27Å; D153-R167 IonicContact OD1-NE 3.11Å; D153-R167 PolarHBondContact OD1-NE 3.37Å; D153-R167 IonicContact OD1-NH2 2.81Å; D153-R167 PolarHBondContact OD1-NH2 2.74Å; D153-R167 IonicContact OD2-NH2 3.26Å; D153-R167 PolarHBondContact OD2-NH2 2.69Å |
| 168 | F | 86.4 | Confident | 74.8 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 122.9 | 167.9 | -173 | -83.2 | 0 | 0 | 0 | 109.4 | Y144 Q147 W172 L173 F265 L275 | Y144-F168 HydrophobicContact CD1-CB 3.92Å; Y144-F168 AromaticContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CE1 4.49Å; Y144-F168 AromaticContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CE1-CB 4.23Å; Y144-F168 HydrophobicContact CE1-CD1 4.16Å; Y144-F168 HydrophobicContact CE1-CG 4.09Å; Q147-F168 PolarHBondContact NE2-O 2.78Å; Q147-F168 VanDerWaalsContact OE1-N 3.09Å; F168-W172 HydrophobicContact CD2-CE3 4.22Å; F168-W172 HydrophobicContact CD2-CZ3 4.07Å; F168-W172 HydrophobicContact CE2-CE3 4.09Å; F168-W172 HydrophobicContact CE2-CZ3 4.35Å; F168-W172 HydrophobicContact CG-CZ3 4.37Å; F168-W172 HydrophobicContact CZ-CE3 4.26Å; F168-L173 HydrophobicContact CE1-CD1 4.27Å; F168-L173 HydrophobicContact CE1-CD2 4.45Å; F168-L173 HydrophobicContact CE1-CG 4.15Å; F168-L173 HydrophobicContact CZ-CD2 4.21Å; F168-L173 HydrophobicContact CZ-CG 4.38Å; F168-F265 HydrophobicContact CB-CE1 3.76Å; F168-F265 HydrophobicContact CB-CZ 4.2Å; F168-F265 HydrophobicContact CD2-CD1 4.17Å; F168-F265 AromaticContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE2 4.22Å; F168-F265 AromaticContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CG-CE1 4.31Å; F168-F265 HydrophobicContact CG-CZ 4.48Å; F168-L275 HydrophobicContact CD1-CD1 4.48Å; F168-L275 HydrophobicContact CE1-CB 4.17Å; F168-L275 HydrophobicContact CE1-CD1 4.03Å; F168-L275 HydrophobicContact CE1-CG 4.34Å; F168-L275 HydrophobicContact CE2-CB 4.28Å; F168-L275 HydrophobicContact CZ-CB 3.7Å; F168-L275 HydrophobicContact CZ-CD1 4.37Å; F168-L275 HydrophobicContact CZ-CG 4.19Å |
| 169 | D | 86.1 | Confident | 77 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 120.4 | 174.7 | -164.9 | -14.2 | 0 | 0 | 0 | 110.8 | S171 W172 | D169-S171 PolarHBondContact O-N 3.14Å; D169-S171 WeakPolarHBondContact OD1-CB 3.31Å; D169-S171 PolarHBondContact OD1-N 3.18Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-S171 VanDerWaalsContact OD1-OG 3.06Å; D169-S171 PolarHBondContact OD2-OG 3.05Å; D169-W172 HydrophobicContact CB-CD2 3.8Å; D169-W172 HydrophobicContact CB-CE3 4.29Å; D169-W172 HydrophobicContact CB-CG 4.18Å; D169-W172 HydrophobicContact CB-CH2 4.34Å; D169-W172 HydrophobicContact CB-CZ2 3.85Å; D169-W172 WeakPolarHBondContact O-CB 3.5Å; D169-W172 PolarHBondContact O-N 2.67Å |
| 170 | V | 89.1 | Confident | 79.3 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 22% | 0.218 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.4 | -20.7 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 111 | R145 W172 L173 | R145-V170 HydrophobicContact CG-CG2 4.24Å; V170-W172 PolarHBondContact O-N 3.45Å; V170-L173 HydrophobicContact CG1-CD1 4.22Å; V170-L173 VanDerWaalsContact O-CB 3.27Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3.19Å; V170-L173 VanDerWaalsContact O-N 3.14Å |
| 171 | S | 87.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 51% | 0.51 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -62.8 | -26 | 175.1 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | D169 L173 G174 | D169-S171 PolarHBondContact O-N 3.14Å; D169-S171 WeakPolarHBondContact OD1-CB 3.31Å; D169-S171 PolarHBondContact OD1-N 3.18Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-S171 VanDerWaalsContact OD1-OG 3.06Å; D169-S171 PolarHBondContact OD2-OG 3.05Å; S171-L173 PolarHBondContact O-N 3.4Å; S171-G174 PolarHBondContact O-N 2.82Å; S171-G174 VanDerWaalsContact O-N 3.16Å |
| 172 | W | 90 | Very high | 83.6 | Confident | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -66.3 | -18.5 | 176.5 | -57.2 | -23.1 | 0 | 0 | 0 | 113.2 | F168 D169 V170 G174 P257 F265 | F168-W172 HydrophobicContact CD2-CE3 4.22Å; F168-W172 HydrophobicContact CD2-CZ3 4.07Å; F168-W172 HydrophobicContact CE2-CE3 4.09Å; F168-W172 HydrophobicContact CE2-CZ3 4.35Å; F168-W172 HydrophobicContact CG-CZ3 4.37Å; F168-W172 HydrophobicContact CZ-CE3 4.26Å; D169-W172 HydrophobicContact CB-CD2 3.8Å; D169-W172 HydrophobicContact CB-CE3 4.29Å; D169-W172 HydrophobicContact CB-CG 4.18Å; D169-W172 HydrophobicContact CB-CH2 4.34Å; D169-W172 HydrophobicContact CB-CZ2 3.85Å; D169-W172 WeakPolarHBondContact O-CB 3.5Å; D169-W172 PolarHBondContact O-N 2.67Å; V170-W172 PolarHBondContact O-N 3.45Å; W172-G174 PolarHBondContact O-N 3.07Å; W172-P257 HydrophobicContact CB-CG 4.29Å; W172-F265 HydrophobicContact CH2-CE2 4.23Å; W172-F265 AromaticContact CH2-CZ 3.92Å; W172-F265 HydrophobicContact CH2-CZ 3.92Å; W172-F265 AromaticContact CZ3-CE2 3.69Å; W172-F265 HydrophobicContact CZ3-CE2 3.69Å; W172-F265 AromaticContact CZ3-CZ 3.52Å; W172-F265 HydrophobicContact CZ3-CZ 3.52Å |
| 173 | L | 92.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -76.1 | 5.7 | 175.9 | -65.1 | -178.2 | 0 | 0 | 0 | 113.4 | L141 F168 V170 S171 F256 L275 F277 | L141-L173 HydrophobicContact CD2-CD1 3.9Å; F168-L173 HydrophobicContact CE1-CD1 4.27Å; F168-L173 HydrophobicContact CE1-CD2 4.45Å; F168-L173 HydrophobicContact CE1-CG 4.15Å; F168-L173 HydrophobicContact CZ-CD2 4.21Å; F168-L173 HydrophobicContact CZ-CG 4.38Å; V170-L173 HydrophobicContact CG1-CD1 4.22Å; V170-L173 VanDerWaalsContact O-CB 3.27Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3.19Å; V170-L173 VanDerWaalsContact O-N 3.14Å; S171-L173 PolarHBondContact O-N 3.4Å; L173-F256 WeakPolarHBondContact CD2-O 3.39Å; L173-F256 WeakPolarHBondContact O-CB 3.47Å; L173-L275 HydrophobicContact CD1-CB 4.4Å; L173-L275 HydrophobicContact CD1-CD1 4.14Å; L173-L275 HydrophobicContact CD2-CB 3.93Å; L173-F277 HydrophobicContact CB-CD2 3.7Å; L173-F277 HydrophobicContact CB-CE2 3.87Å; L173-F277 HydrophobicContact CD1-CD2 4.1Å; L173-F277 HydrophobicContact CD1-CE2 3.7Å; L173-F277 HydrophobicContact CD2-CD2 4.15Å; L173-F277 HydrophobicContact CG-CD2 4.21Å; L173-F277 HydrophobicContact CG-CE2 4.26Å |
| 174 | G | 88.9 | Confident | 87.7 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 168 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S171 W172 | S171-G174 PolarHBondContact O-N 2.82Å; S171-G174 VanDerWaalsContact O-N 3.16Å; W172-G174 PolarHBondContact O-N 3.07Å |
| 175 | D | 91 | Very high | 89.2 | Confident | 141 Ų | 141 | 43.4 Ų | 43.4 | 75% | 0.754 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.6 | -174.4 | -62.9 | -40.5 | 0 | 0 | 0 | 113.4 | T178 | D175-T178 VanDerWaalsContact O-CG2 3.25Å; D175-T178 WeakPolarHBondContact O-CG2 3.34Å; D175-T178 PolarHBondContact O-OG1 3.48Å; D175-T178 VanDerWaalsContact O-OG1 3.08Å |
| 176 | N | 91.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -40.1 | -175.7 | -69.4 | -34.5 | 0 | 0 | 0 | 112.8 | T178 N181 F256 | N176-T178 PolarHBondContact O-N 3.1Å; N176-N181 PolarHBondContact O-ND2 2.93Å; N176-F256 HydrophobicContact CB-CE1 4.47Å; N176-F256 HydrophobicContact CB-CE2 4.15Å; N176-F256 HydrophobicContact CB-CZ 3.95Å; N176-F256 WeakPolarHBondContact ND2-CE1 3.29Å; N176-F256 WeakPolarHBondContact ND2-CZ 3.42Å |
| 177 | C | 94.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 53.8 | -176.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | Y183 C191 F277 | C177-Y183 VanDerWaalsContact O-CD1 3.28Å; C177-Y183 WeakPolarHBondContact O-CD1 3.37Å; C177-C191 VanDerWaalsContact CA-SG 3.55Å; C177-C191 HydrophobicContact CB-CB 3.65Å; C177-C191 WeakPolarHBondContact CB-SG 3.37Å; C177-C191 WeakPolarHBondContact SG-CB 3.22Å; C177-C191 CovalentContact SG-SG 2.03Å; C177-C191 PolarHBondContact SG-SG 2.87Å; C177-F277 HydrophobicContact CB-CB 3.93Å; C177-F277 HydrophobicContact CB-CD1 4.05Å; C177-F277 HydrophobicContact CB-CD2 3.3Å; C177-F277 HydrophobicContact CB-CE1 4.4Å; C177-F277 HydrophobicContact CB-CE2 3.74Å; C177-F277 HydrophobicContact CB-CG 3.51Å; C177-F277 HydrophobicContact CB-CZ 4.28Å; C177-F277 VanDerWaalsContact O-CE2 3.25Å; C177-F277 WeakPolarHBondContact O-CE2 3.48Å |
| 178 | T | 94 | Very high | 91.5 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 23% | 0.233 | 27% | 0.271 | C | S | . | . | trans | -100.5 | 154.6 | -177.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | D175 N176 S180 N181 G182 Y183 | D175-T178 VanDerWaalsContact O-CG2 3.25Å; D175-T178 WeakPolarHBondContact O-CG2 3.34Å; D175-T178 PolarHBondContact O-OG1 3.48Å; D175-T178 VanDerWaalsContact O-OG1 3.08Å; N176-T178 PolarHBondContact O-N 3.1Å; T178-S180 VanDerWaalsContact C-N 3.25Å; T178-S180 PolarHBondContact O-N 3.25Å; T178-S180 PolarHBondContact OG1-OG 3Å; T178-N181 CarbonylContact O-C 3.56Å; T178-N181 PolarHBondContact O-N 3.11Å; T178-N181 VanDerWaalsContact O-N 3.15Å; T178-G182 PolarHBondContact O-N 3.37Å; T178-Y183 PolarHBondContact O-N 3.47Å | ||
| 179 | S | 92.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 45 Ų | 45 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -60.7 | -34.3 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | N181 G182 | S179-N181 VanDerWaalsContact C-N 3.3Å; S179-N181 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact O-N 3.13Å |
| 180 | S | 91.7 | Very high | 92.4 | Very high | 119 Ų | 119 | 43 Ų | 43 | 83% | 0.832 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63.3 | -34.1 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | T178 G182 | T178-S180 VanDerWaalsContact C-N 3.25Å; T178-S180 PolarHBondContact O-N 3.25Å; T178-S180 PolarHBondContact OG1-OG 3Å; S180-G182 VanDerWaalsContact C-N 3.28Å |
| 181 | N | 92.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -91.3 | 12.1 | 175.2 | -167.5 | 28.8 | 0 | 0 | 0 | 112.7 | N176 T178 S179 Y183 G184 A186 T187 | N176-N181 PolarHBondContact O-ND2 2.93Å; T178-N181 CarbonylContact O-C 3.56Å; T178-N181 PolarHBondContact O-N 3.11Å; T178-N181 VanDerWaalsContact O-N 3.15Å; S179-N181 VanDerWaalsContact C-N 3.3Å; S179-N181 PolarHBondContact O-N 2.93Å; N181-Y183 PolarHBondContact O-N 3.31Å; N181-G184 PolarHBondContact O-N 3.04Å; N181-G184 VanDerWaalsContact O-N 3.17Å; N181-A186 WeakPolarHBondContact O-CB 3.23Å; N181-A186 PolarHBondContact O-N 3.14Å; N181-T187 WeakPolarHBondContact ND2-CG2 3.48Å; N181-T187 PolarHBondContact ND2-OG1 3.3Å; N181-T187 VanDerWaalsContact ND2-OG1 3.14Å; N181-T187 VanDerWaalsContact OD1-CG2 3.28Å; N181-T187 WeakPolarHBondContact OD1-CG2 3.34Å |
| 182 | G | 94.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | 53.3 | 43 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T178 S179 S180 G184 F185 | T178-G182 PolarHBondContact O-N 3.37Å; S179-G182 PolarHBondContact O-N 3.13Å; S180-G182 VanDerWaalsContact C-N 3.28Å; G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.1Å; G182-F185 WeakPolarHBondContact O-CB 3.38Å; G182-F185 VanDerWaalsContact O-CD2 3.23Å; G182-F185 WeakPolarHBondContact O-CD2 3.35Å; G182-F185 PolarHBondContact O-N 2.88Å; G182-F185 VanDerWaalsContact O-N 3.12Å |
| 183 | Y | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 52.2 | 42.8 | -178 | -55.2 | -77.5 | 0 | 0 | 0 | 113.9 | I134 M137 S138 L141 R145 C177 T178 N181 F185 C191 F277 | I134-Y183 HydrophobicContact CB-CD2 4.4Å; I134-Y183 HydrophobicContact CG1-CD2 4.41Å; I134-Y183 HydrophobicContact CG2-CD2 4.03Å; I134-Y183 HydrophobicContact CG2-CE2 4.13Å; I134-Y183 WeakPolarHBondContact O-CE2 3.46Å; M137-Y183 HydrophobicContact CB-CD2 3.9Å; M137-Y183 HydrophobicContact CB-CE1 4.49Å; M137-Y183 HydrophobicContact CB-CE2 3.73Å; M137-Y183 HydrophobicContact CB-CG 4.37Å; M137-Y183 HydrophobicContact CE-CD1 3.89Å; M137-Y183 HydrophobicContact CE-CD2 4.14Å; M137-Y183 HydrophobicContact CE-CG 3.58Å; M137-Y183 HydrophobicContact SD-CD2 4.08Å; M137-Y183 HydrophobicContact SD-CG 4.09Å; S138-Y183 VanDerWaalsContact CA-OH 3.31Å; S138-Y183 WeakPolarHBondContact CA-OH 3.46Å; S138-Y183 WeakPolarHBondContact OG-CE2 3.46Å; S138-Y183 PolarHBondContact OG-OH 3.49Å; L141-Y183 HydrophobicContact CD1-CE1 3.58Å; L141-Y183 WeakPolarHBondContact CD1-OH 3.16Å; R145-Y183 PolarHBondContact NH2-OH 2.77Å; C177-Y183 VanDerWaalsContact O-CD1 3.28Å; C177-Y183 WeakPolarHBondContact O-CD1 3.37Å; T178-Y183 PolarHBondContact O-N 3.47Å; N181-Y183 PolarHBondContact O-N 3.31Å; Y183-F185 PolarHBondContact O-N 3.14Å; Y183-C191 VanDerWaalsContact O-CB 3.23Å; Y183-C191 WeakPolarHBondContact O-CB 3.5Å; Y183-C191 PolarHBondContact O-N 3.38Å; Y183-C191 PolarHBondContact O-SG 3.21Å; Y183-F277 HydrophobicContact CD1-CE1 4.03Å; Y183-F277 HydrophobicContact CD1-CE2 4.22Å; Y183-F277 AromaticContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CD1-CZ 3.49Å; Y183-F277 VanDerWaalsContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CE1-CE2 4.37Å; Y183-F277 AromaticContact CE1-CZ 3.68Å; Y183-F277 HydrophobicContact CE1-CZ 3.68Å |
| 184 | G | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 79.9 | -8.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | N181 G182 A186 T187 G188 N189 | N181-G184 PolarHBondContact O-N 3.04Å; N181-G184 VanDerWaalsContact O-N 3.17Å; G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.1Å; G184-A186 VanDerWaalsContact C-N 3.26Å; G184-A186 PolarHBondContact O-N 3.47Å; G184-T187 PolarHBondContact O-N 3.02Å; G184-T187 PolarHBondContact O-OG1 2.75Å; G184-T187 VanDerWaalsContact O-OG1 3.12Å; G184-G188 PolarHBondContact O-N 3.06Å; G184-G188 VanDerWaalsContact O-N 3.16Å; G184-N189 CarbonylContact C-O 3.57Å; G184-N189 VanDerWaalsContact C-O 3.25Å; G184-N189 WeakPolarHBondContact CA-O 3.4Å; G184-N189 CarbonylContact O-C 3.2Å; G184-N189 PolarHBondContact O-N 3.06Å; G184-N189 VanDerWaalsContact O-O 3.12Å |
| 185 | F | 93.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.7 | 174.8 | -73.6 | -94.4 | 0 | 0 | 0 | 112.2 | L118 Y120 R130 Y133 I134 M137 G182 Y183 G188 P190 | L118-F185 HydrophobicContact CD1-CZ 4.21Å; Y120-F185 AromaticContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CE1 4.48Å; Y120-F185 HydrophobicContact CE2-CD1 4.37Å; Y120-F185 VanDerWaalsContact CE2-O 3.3Å; Y120-F185 WeakPolarHBondContact CE2-O 3.39Å; Y120-F185 PolarHBondContact OH-O 2.86Å; R130-F185 HydrophobicContact CG-CB 3.78Å; R130-F185 HydrophobicContact CG-CD1 3.6Å; R130-F185 HydrophobicContact CG-CE1 4.38Å; R130-F185 HydrophobicContact CG-CG 3.88Å; Y133-F185 AromaticContact CD2-CE1 3.92Å; Y133-F185 HydrophobicContact CD2-CE1 3.92Å; Y133-F185 AromaticContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CG-CZ 4.45Å; I134-F185 HydrophobicContact CD1-CB 4.25Å; I134-F185 HydrophobicContact CG1-CD2 4.1Å; M137-F185 HydrophobicContact SD-CE2 4.18Å; G182-F185 WeakPolarHBondContact O-CB 3.38Å; G182-F185 VanDerWaalsContact O-CD2 3.23Å; G182-F185 WeakPolarHBondContact O-CD2 3.35Å; G182-F185 PolarHBondContact O-N 2.88Å; G182-F185 VanDerWaalsContact O-N 3.12Å; Y183-F185 PolarHBondContact O-N 3.14Å; F185-G188 PolarHBondContact O-N 2.95Å; F185-P190 HydrophobicContact CD1-CB 3.77Å; F185-P190 HydrophobicContact CD2-CB 4.2Å; F185-P190 HydrophobicContact CE1-CB 3.66Å; F185-P190 HydrophobicContact CE2-CB 4.11Å; F185-P190 HydrophobicContact CG-CB 4.05Å; F185-P190 HydrophobicContact CZ-CB 3.84Å |
| 186 | A | 90.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 25.5 Ų | 25.5 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N181 G184 | N181-A186 WeakPolarHBondContact O-CB 3.23Å; N181-A186 PolarHBondContact O-N 3.14Å; G184-A186 VanDerWaalsContact C-N 3.26Å; G184-A186 PolarHBondContact O-N 3.47Å |
| 187 | T | 91.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 24.9 Ų | 24.9 | 47% | 0.466 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.9 | 176.7 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | N181 G184 N189 | N181-T187 WeakPolarHBondContact ND2-CG2 3.48Å; N181-T187 PolarHBondContact ND2-OG1 3.3Å; N181-T187 VanDerWaalsContact ND2-OG1 3.14Å; N181-T187 VanDerWaalsContact OD1-CG2 3.28Å; N181-T187 WeakPolarHBondContact OD1-CG2 3.34Å; G184-T187 PolarHBondContact O-N 3.02Å; G184-T187 PolarHBondContact O-OG1 2.75Å; G184-T187 VanDerWaalsContact O-OG1 3.12Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-ND2 3.42Å; T187-N189 VanDerWaalsContact O-ND2 3.14Å |
| 188 | G | 92 | Very high | 93.8 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 25.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y120 G184 F185 | Y120-G188 VanDerWaalsContact CZ-CA 3.48Å; Y120-G188 WeakPolarHBondContact OH-CA 3.43Å; G184-G188 PolarHBondContact O-N 3.06Å; G184-G188 VanDerWaalsContact O-N 3.16Å; F185-G188 PolarHBondContact O-N 2.95Å |
| 189 | N | 94.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 29 Ų | 29 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | trans | -129.1 | 74.9 | 171.8 | -56.5 | -75.3 | 0 | 0 | 0 | 107.7 | G184 T187 C191 Q279 I280 A281 Q282 | G184-N189 CarbonylContact C-O 3.57Å; G184-N189 VanDerWaalsContact C-O 3.25Å; G184-N189 WeakPolarHBondContact CA-O 3.4Å; G184-N189 CarbonylContact O-C 3.2Å; G184-N189 PolarHBondContact O-N 3.06Å; G184-N189 VanDerWaalsContact O-O 3.12Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-ND2 3.42Å; T187-N189 VanDerWaalsContact O-ND2 3.14Å; N189-C191 PolarHBondContact O-N 3.45Å; N189-Q279 HydrophobicContact CB-CG 3.82Å; N189-Q279 WeakPolarHBondContact O-CG 3.37Å; N189-Q279 PolarHBondContact O-NE2 2.78Å; N189-I280 CarbonylContact C-O 3.51Å; N189-I280 VanDerWaalsContact CA-O 3.25Å; N189-I280 WeakPolarHBondContact CA-O 3.44Å; N189-A281 WeakPolarHBondContact OD1-CA 3.28Å; N189-Q282 PolarHBondContact OD1-N 3.01Å | ||
| 190 | P | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -60.2 | 136.2 | -173.6 | 26.8 | -34.9 | 0 | 0 | 0 | 110.9 | Y120 F185 I280 P283 | Y120-P190 HydrophobicContact CG-CG 4.41Å; F185-P190 HydrophobicContact CD1-CB 3.77Å; F185-P190 HydrophobicContact CD2-CB 4.2Å; F185-P190 HydrophobicContact CE1-CB 3.66Å; F185-P190 HydrophobicContact CE2-CB 4.11Å; F185-P190 HydrophobicContact CG-CB 4.05Å; F185-P190 HydrophobicContact CZ-CB 3.84Å; P190-I280 PolarHBondContact O-N 3.49Å; P190-P283 HydrophobicContact CG-CG 3.75Å | ||
| 191 | C | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.8 | 173 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | M137 C177 Y183 N189 F277 V278 | M137-C191 WeakPolarHBondContact CE-O 3.04Å; C177-C191 VanDerWaalsContact CA-SG 3.55Å; C177-C191 HydrophobicContact CB-CB 3.65Å; C177-C191 WeakPolarHBondContact CB-SG 3.37Å; C177-C191 WeakPolarHBondContact SG-CB 3.22Å; C177-C191 CovalentContact SG-SG 2.03Å; C177-C191 PolarHBondContact SG-SG 2.87Å; Y183-C191 VanDerWaalsContact O-CB 3.23Å; Y183-C191 WeakPolarHBondContact O-CB 3.5Å; Y183-C191 PolarHBondContact O-N 3.38Å; Y183-C191 PolarHBondContact O-SG 3.21Å; N189-C191 PolarHBondContact O-N 3.45Å; C191-F277 HydrophobicContact CB-CD1 3.89Å; C191-F277 HydrophobicContact CB-CE1 4.42Å; C191-F277 HydrophobicContact CB-CG 4.38Å; C191-V278 CarbonylContact C-O 3.57Å; C191-V278 WeakPolarHBondContact CA-O 3.29Å |
| 192 | V | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.9 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 107.4 | M106 L118 F194 F277 V278 F311 | M106-V192 HydrophobicContact CE-CG1 3.58Å; M106-V192 HydrophobicContact CE-CG2 4.18Å; M106-V192 HydrophobicContact CG-CG1 3.43Å; M106-V192 VanDerWaalsContact CG-CG1 3.43Å; M106-V192 HydrophobicContact SD-CG1 3.9Å; L118-V192 HydrophobicContact CD2-CG2 3.75Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CG1-CD2 4.19Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.05Å; V192-F277 WeakPolarHBondContact O-CA 3.42Å; V192-V278 PolarHBondContact N-O 3.17Å; V192-V278 PolarHBondContact O-N 3.49Å; V192-F311 HydrophobicContact CG2-CZ 4.39Å |
| 193 | L | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.1 | 177.4 | 179.9 | 65.5 | 0 | 0 | 0 | 109.1 | M106 V107 M137 Y140 L141 V195 L275 F277 | M106-L193 CarbonylContact C-O 3.43Å; M106-L193 WeakPolarHBondContact CA-O 3.3Å; V107-L193 HydrophobicContact CB-CB 4.06Å; V107-L193 HydrophobicContact CB-CD2 4.26Å; V107-L193 PolarHBondContact N-O 2.92Å; V107-L193 PolarHBondContact O-N 2.79Å; M137-L193 HydrophobicContact CE-CB 4.43Å; Y140-L193 HydrophobicContact CD1-CD2 3.75Å; Y140-L193 HydrophobicContact CE1-CD2 4.36Å; Y140-L193 HydrophobicContact CG-CD2 4.4Å; L141-L193 HydrophobicContact CD2-CD2 4.35Å; L141-L193 HydrophobicContact CG-CD2 4.28Å; L193-V195 HydrophobicContact CD2-CG2 4.43Å; L193-V195 HydrophobicContact CG-CG2 4.29Å; L193-L275 HydrophobicContact CD1-CB 4.04Å; L193-L275 HydrophobicContact CD1-CD1 4.4Å; L193-L275 HydrophobicContact CD1-CD2 4.23Å; L193-L275 HydrophobicContact CD1-CG 4.48Å; L193-L275 HydrophobicContact CD2-CD2 4.42Å; L193-L275 HydrophobicContact CG-CD2 4.47Å; L193-F277 HydrophobicContact CB-CD1 3.91Å; L193-F277 HydrophobicContact CB-CE1 3.55Å; L193-F277 HydrophobicContact CB-CZ 4.39Å; L193-F277 HydrophobicContact CD1-CD1 3.98Å; L193-F277 HydrophobicContact CD1-CE1 3.77Å; L193-F277 HydrophobicContact CD1-CE2 4.41Å; L193-F277 HydrophobicContact CD1-CG 4.36Å; L193-F277 HydrophobicContact CD1-CZ 4Å; L193-F277 HydrophobicContact CG-CE1 4.21Å |
| 194 | F | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.8 | 168.1 | -72.2 | -89.2 | 0 | 0 | 0 | 110.3 | L104 Y105 M106 V192 I233 F261 L275 V276 V278 C293 I309 F311 | L104-F194 HydrophobicContact CD1-CB 4.03Å; L104-F194 HydrophobicContact CD1-CD1 3.91Å; L104-F194 HydrophobicContact CD1-CG 4.4Å; L104-F194 HydrophobicContact CD2-CD1 4.01Å; L104-F194 HydrophobicContact CD2-CE1 4.31Å; L104-F194 HydrophobicContact CG-CD1 3.92Å; Y105-F194 CarbonylContact O-C 3.56Å; Y105-F194 WeakPolarHBondContact O-CA 3.34Å; M106-F194 HydrophobicContact CB-CD1 4.4Å; M106-F194 HydrophobicContact CB-CE1 4.09Å; M106-F194 HydrophobicContact CG-CE1 4.31Å; M106-F194 HydrophobicContact CG-CZ 4.4Å; M106-F194 HydrophobicContact SD-CZ 4.39Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CG1-CD2 4.19Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.05Å; F194-I233 HydrophobicContact CB-CD1 3.86Å; F194-I233 HydrophobicContact CD1-CD1 3.98Å; F194-I233 HydrophobicContact CD2-CD1 3.96Å; F194-I233 HydrophobicContact CG-CD1 3.64Å; F194-F261 HydrophobicContact CB-CZ 3.86Å; F194-F261 WeakPolarHBondContact O-CE1 2.8Å; F194-L275 WeakPolarHBondContact O-CA 3.32Å; F194-V276 PolarHBondContact N-O 3.2Å; F194-V276 PolarHBondContact O-N 2.99Å; F194-V278 HydrophobicContact CD2-CB 3.98Å; F194-V278 HydrophobicContact CD2-CG2 3.43Å; F194-V278 VanDerWaalsContact CD2-CG2 3.43Å; F194-V278 HydrophobicContact CE2-CB 3.82Å; F194-V278 HydrophobicContact CE2-CG2 3.58Å; F194-C293 HydrophobicContact CE1-CB 3.86Å; F194-C293 HydrophobicContact CE2-CB 4.33Å; F194-C293 HydrophobicContact CZ-CB 3.63Å; F194-C293 WeakPolarHBondContact CZ-SG 3.4Å; F194-I309 HydrophobicContact CD1-CD1 4.3Å; F194-I309 HydrophobicContact CE1-CB 4.24Å; F194-I309 HydrophobicContact CE1-CD1 4.1Å; F194-I309 HydrophobicContact CE1-CG2 4.47Å; F194-F311 HydrophobicContact CZ-CE1 4.05Å |
| 195 | V | 96 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.2 | -178.2 | -172.5 | 0 | 0 | 0 | 0 | 107.6 | L104 Y105 V107 Y140 L193 R197 P273 L275 | L104-V195 CarbonylContact C-O 3.56Å; L104-V195 WeakPolarHBondContact CA-O 3.45Å; Y105-V195 HydrophobicContact CD1-CB 4.27Å; Y105-V195 HydrophobicContact CD1-CG2 4.08Å; Y105-V195 PolarHBondContact N-O 3.42Å; Y105-V195 PolarHBondContact O-N 3.32Å; V107-V195 HydrophobicContact CG2-CG2 4.3Å; Y140-V195 HydrophobicContact CD1-CG2 4.49Å; Y140-V195 HydrophobicContact CE1-CG1 4.41Å; Y140-V195 HydrophobicContact CE1-CG2 3.69Å; Y140-V195 VanDerWaalsContact OH-CG1 3.29Å; Y140-V195 WeakPolarHBondContact OH-CG1 3.47Å; L193-V195 HydrophobicContact CD2-CG2 4.43Å; L193-V195 HydrophobicContact CG-CG2 4.29Å; V195-R197 HydrophobicContact CG1-CG 3.99Å; V195-P273 HydrophobicContact CG1-CB 3.8Å; V195-P273 HydrophobicContact CG1-CG 3.55Å; V195-L275 HydrophobicContact CB-CD2 4.07Å; V195-L275 HydrophobicContact CG1-CD2 3.87Å; V195-L275 HydrophobicContact CG2-CD2 3.64Å |
| 196 | L | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 94.8 | 170.8 | -174.4 | 57.2 | 0 | 0 | 0 | 109.3 | V199 I231 F261 L266 P273 P274 I295 | L196-V199 HydrophobicContact CD1-CG1 4.06Å; L196-V199 HydrophobicContact CG-CG1 4.12Å; L196-I231 HydrophobicContact CD2-CD1 3.57Å; L196-F261 HydrophobicContact CB-CD1 3.71Å; L196-F261 HydrophobicContact CB-CD2 4.35Å; L196-F261 HydrophobicContact CB-CE1 3.82Å; L196-F261 HydrophobicContact CB-CE2 4.44Å; L196-F261 HydrophobicContact CB-CG 3.99Å; L196-F261 HydrophobicContact CB-CZ 4.19Å; L196-F261 HydrophobicContact CD2-CB 4.1Å; L196-F261 HydrophobicContact CD2-CD2 4.27Å; L196-F261 HydrophobicContact CD2-CG 4.1Å; L196-L266 HydrophobicContact CD2-CD1 4.11Å; L196-L266 HydrophobicContact CD2-CD2 3.92Å; L196-L266 HydrophobicContact CG-CD2 4.1Å; L196-P273 WeakPolarHBondContact O-CB 3.41Å; L196-P274 HydrophobicContact CB-CG 4.19Å; L196-P274 PolarHBondContact N-O 2.72Å; L196-I295 HydrophobicContact CD1-CD1 3.81Å |
| 197 | R | 91 | Very high | 92 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 24% | 0.242 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 168.1 | 179.3 | -55 | -173.4 | -171.8 | -162.7 | 7.7 | 111.4 | A101 G103 Y105 V195 V199 | A101-R197 WeakPolarHBondContact O-CB 3.17Å; G103-R197 PolarHBondContact N-O 2.84Å; G103-R197 WeakPolarHBondContact O-CB 3.44Å; G103-R197 PolarHBondContact O-N 2.89Å; Y105-R197 VanDerWaalsContact CG-CZ 3.45Å; Y105-R197 PolarHBondContact OH-NH2 3.49Å; V195-R197 HydrophobicContact CG1-CG 3.99Å; R197-V199 WeakPolarHBondContact O-CG1 3.25Å; R197-V199 PolarHBondContact O-N 3.18Å |
| 198 | N | 83.9 | Confident | 92 | Very high | 117 Ų | 117 | 40 Ų | 40 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | trans | -18.5 | 109.8 | 177.9 | -177.6 | 15.8 | 0 | 0 | 0 | 114.1 | S102 G103 G200 | S102-N198 WeakPolarHBondContact CA-O 3.32Å; S102-N198 PolarHBondContact OG-O 3.44Å; G103-N198 PolarHBondContact N-O 3.38Å; N198-G200 PolarHBondContact OD1-N 2.68Å | ||
| 199 | V | 84 | Confident | 92 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | trans | -97.6 | 7.5 | 178.7 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | L196 R197 H201 W202 L266 L303 | L196-V199 HydrophobicContact CD1-CG1 4.06Å; L196-V199 HydrophobicContact CG-CG1 4.12Å; R197-V199 WeakPolarHBondContact O-CG1 3.25Å; R197-V199 PolarHBondContact O-N 3.18Å; V199-H201 PolarHBondContact O-N 2.84Å; V199-W202 HydrophobicContact CB-CB 4.43Å; V199-W202 HydrophobicContact CB-CE3 3.8Å; V199-W202 HydrophobicContact CG1-CE3 3.93Å; V199-W202 HydrophobicContact CG1-CZ3 4.16Å; V199-W202 HydrophobicContact CG2-CE3 4.15Å; V199-W202 VanDerWaalsContact O-CB 3.3Å; V199-W202 WeakPolarHBondContact O-CB 3.24Å; V199-W202 PolarHBondContact O-N 3.23Å; V199-W202 VanDerWaalsContact O-N 3.14Å; V199-L266 HydrophobicContact CG1-CD2 4.23Å; V199-L266 HydrophobicContact CG2-CB 4.32Å; V199-L266 HydrophobicContact CG2-CD1 4.36Å; V199-L266 HydrophobicContact CG2-CD2 4.18Å; V199-L303 HydrophobicContact CB-CD1 3.8Å; V199-L303 HydrophobicContact CG1-CD1 3.92Å | ||
| 200 | G | 84 | Confident | 91.8 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 54% | 0.536 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -122.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | N198 | N198-G200 PolarHBondContact OD1-N 2.68Š|
| 201 | H | 85 | Confident | 91.6 | Very high | 193 Ų | 193 | 44.4 Ų | 44.4 | 89% | 0.894 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.4 | 178.4 | -60.9 | -58.9 | 0 | 0 | 0 | 113.6 | V199 I203 | V199-H201 PolarHBondContact O-N 2.84Å; H201-I203 PolarHBondContact O-N 3.12Å |
| 202 | W | 90 | Very high | 91.3 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | trans | -71.5 | 125.1 | -179.8 | 176.5 | 75.3 | 0 | 0 | 0 | 110.7 | V199 P204 I231 L266 A297 N299 I300 L303 | V199-W202 HydrophobicContact CB-CB 4.43Å; V199-W202 HydrophobicContact CB-CE3 3.8Å; V199-W202 HydrophobicContact CG1-CE3 3.93Å; V199-W202 HydrophobicContact CG1-CZ3 4.16Å; V199-W202 HydrophobicContact CG2-CE3 4.15Å; V199-W202 VanDerWaalsContact O-CB 3.3Å; V199-W202 WeakPolarHBondContact O-CB 3.24Å; V199-W202 PolarHBondContact O-N 3.23Å; V199-W202 VanDerWaalsContact O-N 3.14Å; W202-P204 HydrophobicContact CH2-CB 3.67Å; W202-P204 HydrophobicContact CZ2-CB 3.9Å; W202-P204 HydrophobicContact CZ3-CB 4.06Å; W202-P204 HydrophobicContact CZ3-CG 4.46Å; W202-I231 HydrophobicContact CH2-CD1 3.89Å; W202-I231 HydrophobicContact CZ3-CD1 3.78Å; W202-L266 HydrophobicContact CZ3-CD1 4.42Å; W202-A297 HydrophobicContact CH2-CB 4.33Å; W202-A297 HydrophobicContact CZ2-CB 3.82Å; W202-N299 PolarHBondContact NE1-ND2 3.16Å; W202-N299 PolarHBondContact NE1-O 2.68Å; W202-N299 VanDerWaalsContact NE1-O 3.13Å; W202-I300 HydrophobicContact CH2-CD1 4.19Å; W202-I300 HydrophobicContact CZ2-CD1 3.9Å; W202-L303 HydrophobicContact CB-CD1 4.06Å; W202-L303 HydrophobicContact CD2-CB 4.04Å; W202-L303 HydrophobicContact CD2-CD1 3.94Å; W202-L303 HydrophobicContact CD2-CG 4.43Å; W202-L303 HydrophobicContact CE3-CD1 3.88Å; W202-L303 HydrophobicContact CG-CB 4.07Å; W202-L303 HydrophobicContact CG-CD1 4.07Å; W202-L303 HydrophobicContact CZ3-CD2 4.43Å | ||
| 203 | I | 89.4 | Confident | 91 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | trans | -109.1 | 121.1 | 171.8 | -59.7 | 174 | 0 | 0 | 0 | 107 | H201 V205 N299 | H201-I203 PolarHBondContact O-N 3.12Å; I203-V205 PolarHBondContact O-N 2.94Å; I203-N299 PolarHBondContact O-ND2 3.39Å | ||
| 204 | P | 92.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | trans | -64.8 | 129.6 | 178.9 | 28.3 | -36.9 | 0 | 0 | 0 | 110.9 | W202 I231 V263 L266 A297 | W202-P204 HydrophobicContact CH2-CB 3.67Å; W202-P204 HydrophobicContact CZ2-CB 3.9Å; W202-P204 HydrophobicContact CZ3-CB 4.06Å; W202-P204 HydrophobicContact CZ3-CG 4.46Å; P204-I231 HydrophobicContact CB-CD1 3.94Å; P204-I231 HydrophobicContact CB-CG1 3.83Å; P204-I231 HydrophobicContact CG-CD1 3.91Å; P204-I231 HydrophobicContact CG-CG1 4.03Å; P204-V263 HydrophobicContact CG-CB 4.39Å; P204-V263 HydrophobicContact CG-CG1 3.75Å; P204-L266 HydrophobicContact CG-CD1 4.33Å; P204-A297 HydrophobicContact CB-CB 4.43Å | ||
| 205 | V | 93.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | trans | -95.8 | 112.8 | 169 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | I203 D298 N299 | I203-V205 PolarHBondContact O-N 2.94Å; V205-D298 HydrophobicContact CB-CB 4.08Å; V205-D298 HydrophobicContact CG1-CB 3.97Å; V205-D298 WeakPolarHBondContact O-CB 3.31Å; V205-D298 PolarHBondContact O-N 3.11Å; V205-N299 HydrophobicContact CB-CB 4.41Å; V205-N299 HydrophobicContact CG2-CB 4.25Å; V205-N299 PolarHBondContact N-OD1 2.73Å | ||
| 206 | L | 93.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | trans | -117.6 | 113.7 | 178.4 | -61.7 | 170.2 | 0 | 0 | 0 | 108.5 | F210 L211 M228 H230 I231 V263 A297 | L206-F210 HydrophobicContact CD2-CE1 4.46Å; L206-L211 HydrophobicContact CD2-CD2 4.27Å; L206-M228 WeakPolarHBondContact CD1-O 3.43Å; L206-H230 VanDerWaalsContact CD1-O 3.24Å; L206-H230 WeakPolarHBondContact CD1-O 3.46Å; L206-I231 HydrophobicContact CD1-CG1 4.43Å; L206-V263 HydrophobicContact CD1-CG1 4.17Å; L206-A297 HydrophobicContact CD2-CB 4.28Å | ||
| 207 | S | 91.5 | Very high | 89.1 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | trans | -113.3 | 148.2 | 177.7 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | P209 F210 L211 D298 | S207-P209 VanDerWaalsContact C-CD 3.46Å; S207-P209 VanDerWaalsContact C-N 3.34Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-F210 VanDerWaalsContact O-N 3.11Å; S207-F210 VanDerWaalsContact OG-CB 3.22Å; S207-F210 WeakPolarHBondContact OG-CB 3.35Å; S207-F210 PolarHBondContact OG-N 2.96Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 2.89Å; S207-D298 WeakPolarHBondContact CB-OD2 3.46Å; S207-D298 PolarHBondContact OG-OD2 2.89Å | ||
| 208 | E | 91.8 | Very high | 88.6 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.3 | -45 | 175.7 | -70 | -62.2 | 164.2 | 0 | 0 | 112.9 | F210 L211 N212 M228 | E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.35Å; E208-L211 PolarHBondContact O-N 3.37Å; E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 VanDerWaalsContact O-CG 3.3Å; E208-N212 PolarHBondContact O-N 2.86Å; E208-N212 PolarHBondContact O-ND2 3.49Å; E208-M228 HydrophobicContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact OE1-CE 3.31Å; E208-M228 WeakPolarHBondContact OE1-CE 3.48Å |
| 209 | P | 91.7 | Very high | 88.4 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 178.3 | -22.6 | 35.3 | 0 | 0 | 0 | 112.3 | S207 S213 | S207-P209 VanDerWaalsContact C-CD 3.46Å; S207-P209 VanDerWaalsContact C-N 3.34Å; P209-S213 WeakPolarHBondContact O-CB 3.34Å; P209-S213 PolarHBondContact O-N 3.37Å |
| 210 | F | 91.8 | Very high | 88.1 | Confident | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 176.4 | 175.7 | -102.9 | 0 | 0 | 0 | 111.8 | L206 S207 E208 N212 S213 L214 A296 A297 D298 | L206-F210 HydrophobicContact CD2-CE1 4.46Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-F210 VanDerWaalsContact O-N 3.11Å; S207-F210 VanDerWaalsContact OG-CB 3.22Å; S207-F210 WeakPolarHBondContact OG-CB 3.35Å; S207-F210 PolarHBondContact OG-N 2.96Å; E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.35Å; F210-N212 VanDerWaalsContact C-N 3.29Å; F210-N212 PolarHBondContact O-N 2.91Å; F210-S213 WeakPolarHBondContact O-CB 3.5Å; F210-S213 PolarHBondContact O-N 2.88Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 2.91Å; F210-L214 HydrophobicContact CD1-CD1 4.32Å; F210-L214 HydrophobicContact CE1-CD1 3.75Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CZ-CD1 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.25Å; F210-L214 HydrophobicContact CZ-CG 4.33Å; F210-L214 PolarHBondContact O-N 2.87Å; F210-L214 VanDerWaalsContact O-N 3.11Å; F210-A296 HydrophobicContact CE1-CB 4.3Å; F210-A296 HydrophobicContact CZ-CB 3.85Å; F210-A297 VanDerWaalsContact CE1-CA 3.45Å; F210-A297 VanDerWaalsContact CZ-CA 3.48Å; F210-D298 VanDerWaalsContact CB-OD1 3.3Å; F210-D298 WeakPolarHBondContact CB-OD1 3.43Å; F210-D298 WeakPolarHBondContact CB-OD2 3.31Å; F210-D298 WeakPolarHBondContact CD2-OD1 3.46Å; F210-D298 VanDerWaalsContact CG-OD1 3.31Å; F210-D298 WeakPolarHBondContact CG-OD1 3.4Å |
| 211 | L | 91.4 | Very high | 88 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 179 | -64.7 | 179.6 | 0 | 0 | 0 | 112.1 | L206 S207 E208 L214 K215 F226 D227 P232 | L206-L211 HydrophobicContact CD2-CD2 4.27Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 2.89Å; E208-L211 PolarHBondContact O-N 3.37Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.46Å; L211-K215 PolarHBondContact O-N 2.89Å; L211-F226 HydrophobicContact CB-CB 4.21Å; L211-F226 HydrophobicContact CD1-CB 4.2Å; L211-F226 HydrophobicContact CD2-CB 4.06Å; L211-F226 HydrophobicContact CG-CB 4.38Å; L211-D227 WeakPolarHBondContact CD1-O 3.45Å; L211-P232 HydrophobicContact CD2-CG 4.19Å |
| 212 | N | 91 | Very high | 87.7 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 174.1 | -71.7 | -44.9 | 0 | 0 | 0 | 111.8 | E208 F210 L214 K215 E216 | E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 VanDerWaalsContact O-CG 3.3Å; E208-N212 PolarHBondContact O-N 2.86Å; E208-N212 PolarHBondContact O-ND2 3.49Å; F210-N212 VanDerWaalsContact C-N 3.29Å; F210-N212 PolarHBondContact O-N 2.91Å; N212-L214 PolarHBondContact O-N 2.87Å; N212-K215 PolarHBondContact O-N 2.82Å; N212-K215 VanDerWaalsContact O-N 3.1Å; N212-E216 PolarHBondContact O-N 3.22Å |
| 213 | S | 90.4 | Very high | 87.4 | Confident | 54 Ų | 54 | 65 Ų | 65 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.9 | -31.5 | 176.3 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | P209 F210 E216 A217 | P209-S213 WeakPolarHBondContact O-CB 3.34Å; P209-S213 PolarHBondContact O-N 3.37Å; F210-S213 WeakPolarHBondContact O-CB 3.5Å; F210-S213 PolarHBondContact O-N 2.88Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 2.91Å; S213-E216 PolarHBondContact O-N 2.95Å; S213-A217 VanDerWaalsContact O-CB 3.24Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 3.29Å |
| 214 | L | 88.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.2 | -65.9 | 176.6 | 0 | 0 | 0 | 111.7 | F210 L211 N212 E216 A217 D218 F226 P232 A296 | F210-L214 HydrophobicContact CD1-CD1 4.32Å; F210-L214 HydrophobicContact CE1-CD1 3.75Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CZ-CD1 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.25Å; F210-L214 HydrophobicContact CZ-CG 4.33Å; F210-L214 PolarHBondContact O-N 2.87Å; F210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.46Å; N212-L214 PolarHBondContact O-N 2.87Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-A217 PolarHBondContact O-N 3.49Å; L214-D218 PolarHBondContact O-N 3.48Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; L214-P232 HydrophobicContact CD1-CB 4.26Å; L214-P232 HydrophobicContact CD1-CG 3.62Å; L214-A296 HydrophobicContact CD1-CB 4.04Å; L214-A296 HydrophobicContact CD2-CB 4.09Å |
| 215 | K | 87.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.9 | -32.9 | 176.9 | -61 | -173.5 | -171 | -166.3 | 0 | 112.9 | L211 N212 R224 F226 | L211-K215 PolarHBondContact O-N 2.89Å; N212-K215 PolarHBondContact O-N 2.82Å; N212-K215 VanDerWaalsContact O-N 3.1Å; K215-R224 WeakPolarHBondContact CE-O 3.4Å; K215-R224 PolarHBondContact NZ-O 3.1Å; K215-F226 HydrophobicContact CD-CD2 4.27Å; K215-F226 VanDerWaalsContact CE-CD2 3.47Å; K215-F226 HydrophobicContact CG-CD2 3.74Å; K215-F226 HydrophobicContact CG-CE2 3.69Å |
| 216 | E | 86.1 | Confident | 87 | Confident | 163 Ų | 163 | 63.9 Ų | 63.9 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -76.3 | -34.7 | 177.4 | -70.3 | 179.8 | -178.4 | 0 | 0 | 112.2 | N212 S213 L214 | N212-E216 PolarHBondContact O-N 3.22Å; S213-E216 PolarHBondContact O-N 2.95Å; L214-E216 VanDerWaalsContact C-N 3.35Å |
| 217 | A | 85.2 | Confident | 86.9 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 70% | 0.702 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.5 | -33.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S213 L214 | S213-A217 VanDerWaalsContact O-CB 3.24Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 3.29Å; L214-A217 PolarHBondContact O-N 3.49Å |
| 218 | D | 80.2 | Confident | 86.9 | Confident | 39 Ų | 39 | 68 Ų | 68 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | trans | -126.7 | 114.4 | -178.8 | -168.6 | -24.2 | 0 | 0 | 0 | 111.5 | L214 T220 E221 | L214-D218 PolarHBondContact O-N 3.48Å; D218-T220 PolarHBondContact O-N 3.42Å; D218-T220 VanDerWaalsContact O-N 3.15Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.27Å; D218-T220 PolarHBondContact OD1-N 3.26Å; D218-T220 PolarHBondContact OD1-OG1 2.87Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å; D218-E221 HydrophobicContact CB-CB 4.16Å; D218-E221 HydrophobicContact CB-CG 3.64Å; D218-E221 PolarHBondContact O-N 3.41Å | ||
| 219 | P | 77.9 | Confident | 86.8 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -55.9 | -28.7 | 176 | -25 | 34.3 | 0 | 0 | 0 | 114.4 | E221 Q222 | P219-E221 PolarHBondContact O-N 3.33Å; P219-Q222 WeakPolarHBondContact O-CG 3.47Å; P219-Q222 PolarHBondContact O-N 3.44Å |
| 220 | T | 79.6 | Confident | 86.9 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -72.6 | -19.4 | -179.6 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | D218 | D218-T220 PolarHBondContact O-N 3.42Å; D218-T220 VanDerWaalsContact O-N 3.15Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.27Å; D218-T220 PolarHBondContact OD1-N 3.26Å; D218-T220 PolarHBondContact OD1-OG1 2.87Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å |
| 221 | E | 81.4 | Confident | 87 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -95.4 | -5 | -176.9 | -57.2 | -74.7 | 160 | 0 | 0 | 112.1 | D218 P219 N223 R224 F226 S234 Y255 | D218-E221 HydrophobicContact CB-CB 4.16Å; D218-E221 HydrophobicContact CB-CG 3.64Å; D218-E221 PolarHBondContact O-N 3.41Å; P219-E221 PolarHBondContact O-N 3.33Å; E221-N223 VanDerWaalsContact C-N 3.28Å; E221-N223 PolarHBondContact O-N 2.96Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-NH1 3.27Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-CZ 3.89Å; E221-R224 IonicContact OE2-NE 3.01Å; E221-R224 IonicContact OE2-NH1 2.72Å; E221-R224 PolarHBondContact OE2-NH1 2.86Å; E221-F226 HydrophobicContact CB-CZ 4.4Å; E221-F226 WeakPolarHBondContact OE2-CZ 3.49Å; E221-S234 WeakPolarHBondContact OE1-CB 3.31Å; E221-S234 PolarHBondContact OE1-OG 3.19Å; E221-Y255 PolarHBondContact OE1-OH 2.73Å |
| 222 | Q | 78.6 | Confident | 87.2 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -36.5 | -174.8 | -74.6 | -179.6 | 10.6 | 0 | 0 | 114 | P219 R224 | P219-Q222 WeakPolarHBondContact O-CG 3.47Å; P219-Q222 PolarHBondContact O-N 3.44Å; Q222-R224 VanDerWaalsContact C-N 3.33Å |
| 223 | N | 83.7 | Confident | 87.5 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.4 | -177.7 | -70.4 | -33.7 | 0 | 0 | 0 | 113.6 | E221 | E221-N223 VanDerWaalsContact C-N 3.28Å; E221-N223 PolarHBondContact O-N 2.96Å |
| 224 | R | 87.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | trans | -78.3 | 146.9 | -175.3 | -64.9 | -172.5 | 74.4 | -173.5 | -0.6 | 113 | K215 E221 Q222 F226 I233 Y255 D258 | K215-R224 WeakPolarHBondContact CE-O 3.4Å; K215-R224 PolarHBondContact NZ-O 3.1Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-NH1 3.27Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-CZ 3.89Å; E221-R224 IonicContact OE2-NE 3.01Å; E221-R224 IonicContact OE2-NH1 2.72Å; E221-R224 PolarHBondContact OE2-NH1 2.86Å; Q222-R224 VanDerWaalsContact C-N 3.33Å; R224-F226 HydrophobicContact CB-CE1 4.07Å; R224-F226 HydrophobicContact CB-CE2 4.29Å; R224-F226 HydrophobicContact CB-CZ 3.91Å; R224-F226 PolarHBondContact O-N 2.99Å; R224-I233 PolarHBondContact NH1-O 3.29Å; R224-I233 PolarHBondContact NH2-O 3.39Å; R224-Y255 VanDerWaalsContact CZ-CE2 3.43Å; R224-Y255 VanDerWaalsContact CZ-CG 3.45Å; R224-Y255 VanDerWaalsContact NE-CD2 3.34Å; R224-D258 WeakPolarHBondContact CA-OD2 3.34Å; R224-D258 WeakPolarHBondContact CG-OD1 3.49Å; R224-D258 VanDerWaalsContact CZ-O 3.28Å; R224-D258 PolarHBondContact NE-O 3.42Å; R224-D258 VanDerWaalsContact NE-O 3.14Å; R224-D258 IonicContact NE-OD1 3.34Å; R224-D258 PolarHBondContact NE-OD1 3.19Å; R224-D258 PolarHBondContact NH2-O 3.43Å | ||
| 225 | Q | 88.3 | Confident | 88 | Confident | 145 Ų | 145 | 55.4 Ų | 55.4 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | trans | -100.3 | 79.2 | -179.9 | -63.1 | -178.2 | 26.1 | 0 | 0 | 110 | D258 S259 | Q225-D258 PolarHBondContact N-OD2 3.06Å; Q225-S259 WeakPolarHBondContact O-CA 3.41Å; Q225-S259 VanDerWaalsContact O-CB 3.31Å; Q225-S259 WeakPolarHBondContact O-CB 3.35Å; Q225-S259 PolarHBondContact O-OG 2.73Å | ||
| 226 | F | 90.9 | Very high | 88.2 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 10% | 0.101 | 30% | 0.297 | C | S | . | . | trans | -71.9 | 144.4 | 168.6 | -56.3 | -48.7 | 0 | 0 | 0 | 111.3 | L211 L214 K215 E221 R224 P232 | L211-F226 HydrophobicContact CB-CB 4.21Å; L211-F226 HydrophobicContact CD1-CB 4.2Å; L211-F226 HydrophobicContact CD2-CB 4.06Å; L211-F226 HydrophobicContact CG-CB 4.38Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; K215-F226 HydrophobicContact CD-CD2 4.27Å; K215-F226 VanDerWaalsContact CE-CD2 3.47Å; K215-F226 HydrophobicContact CG-CD2 3.74Å; K215-F226 HydrophobicContact CG-CE2 3.69Å; E221-F226 HydrophobicContact CB-CZ 4.4Å; E221-F226 WeakPolarHBondContact OE2-CZ 3.49Å; R224-F226 HydrophobicContact CB-CE1 4.07Å; R224-F226 HydrophobicContact CB-CE2 4.29Å; R224-F226 HydrophobicContact CB-CZ 3.91Å; R224-F226 PolarHBondContact O-N 2.99Å; F226-P232 HydrophobicContact CD1-CB 3.75Å; F226-P232 HydrophobicContact CE1-CB 3.62Å; F226-P232 HydrophobicContact CZ-CB 4.36Å | ||
| 227 | D | 90.5 | Very high | 88.5 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | trans | -138 | 168.8 | 173.4 | 69.9 | 39.3 | 0 | 0 | 0 | 110.6 | L211 N229 H230 | L211-D227 WeakPolarHBondContact CD1-O 3.45Å; D227-N229 PolarHBondContact O-N 3.42Å; D227-N229 VanDerWaalsContact OD1-C 3.28Å; D227-N229 VanDerWaalsContact OD1-CA 3.29Å; D227-N229 WeakPolarHBondContact OD1-CA 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.26Å; D227-N229 PolarHBondContact OD1-N 3.43Å; D227-H230 IonicContact OD1-CE1 3.58Å; D227-H230 IonicContact OD1-CG 3.51Å; D227-H230 PolarHBondContact OD1-N 3.47Å; D227-H230 IonicContact OD1-ND1 2.66Å; D227-H230 PolarHBondContact OD1-ND1 3.38Å; D227-H230 IonicContact OD2-CE1 3.64Å; D227-H230 PolarHBondContact OD2-CE1 3.07Å; D227-H230 IonicContact OD2-CG 2.67Å; D227-H230 IonicContact OD2-ND1 2.76Å; D227-H230 PolarHBondContact OD2-ND1 2.93Å | ||
| 228 | M | 90.2 | Very high | 88.7 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 47% | 0.473 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.1 | -179.9 | -63.2 | -175.5 | 177.1 | 0 | 0 | 114.4 | L206 E208 | L206-M228 WeakPolarHBondContact CD1-O 3.43Å; E208-M228 HydrophobicContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact OE1-CE 3.31Å; E208-M228 WeakPolarHBondContact OE1-CE 3.48Å |
| 229 | N | 90.1 | Very high | 89 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -0.9 | -175.8 | -62.2 | -34.3 | 0 | 0 | 0 | 112.3 | L156 D227 N262 V263 | L156-N229 HydrophobicContact CD1-CB 4.15Å; D227-N229 PolarHBondContact O-N 3.42Å; D227-N229 VanDerWaalsContact OD1-C 3.28Å; D227-N229 VanDerWaalsContact OD1-CA 3.29Å; D227-N229 WeakPolarHBondContact OD1-CA 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.26Å; D227-N229 PolarHBondContact OD1-N 3.43Å; N229-N262 WeakPolarHBondContact O-CA 3.5Å; N229-V263 VanDerWaalsContact O-CG2 3.29Å; N229-V263 WeakPolarHBondContact O-CG2 3.31Å; N229-V263 PolarHBondContact O-N 3.34Å |
| 230 | H | 93.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.2 | 179.1 | -64.1 | 83.7 | 0 | 0 | 0 | 111.3 | L206 D227 P232 S259 G260 F261 N262 | L206-H230 VanDerWaalsContact CD1-O 3.24Å; L206-H230 WeakPolarHBondContact CD1-O 3.46Å; D227-H230 IonicContact OD1-CE1 3.58Å; D227-H230 IonicContact OD1-CG 3.51Å; D227-H230 PolarHBondContact OD1-N 3.47Å; D227-H230 IonicContact OD1-ND1 2.66Å; D227-H230 PolarHBondContact OD1-ND1 3.38Å; D227-H230 IonicContact OD2-CE1 3.64Å; D227-H230 PolarHBondContact OD2-CE1 3.07Å; D227-H230 IonicContact OD2-CG 2.67Å; D227-H230 IonicContact OD2-ND1 2.76Å; D227-H230 PolarHBondContact OD2-ND1 2.93Å; H230-P232 VanDerWaalsContact O-CD 3.29Å; H230-P232 WeakPolarHBondContact O-CD 3.28Å; H230-S259 WeakPolarHBondContact CB-O 3.35Å; H230-G260 PolarHBondContact CD2-O 3.3Å; H230-F261 CarbonylContact C-O 3.58Å; H230-F261 WeakPolarHBondContact CA-O 3.38Å; H230-N262 VanDerWaalsContact CD2-CA 3.42Å; H230-N262 WeakPolarHBondContact CD2-CA 3.41Å; H230-N262 PolarHBondContact CD2-N 3.08Å |
| 231 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117 | 170.4 | -61.3 | 161.6 | 0 | 0 | 0 | 107.7 | L196 W202 P204 L206 G260 F261 V263 L266 I295 | L196-I231 HydrophobicContact CD2-CD1 3.57Å; W202-I231 HydrophobicContact CH2-CD1 3.89Å; W202-I231 HydrophobicContact CZ3-CD1 3.78Å; P204-I231 HydrophobicContact CB-CD1 3.94Å; P204-I231 HydrophobicContact CB-CG1 3.83Å; P204-I231 HydrophobicContact CG-CD1 3.91Å; P204-I231 HydrophobicContact CG-CG1 4.03Å; L206-I231 HydrophobicContact CD1-CG1 4.43Å; I231-G260 CarbonylContact O-C 3.53Å; I231-G260 WeakPolarHBondContact O-CA 3.38Å; I231-F261 HydrophobicContact CB-CB 4.31Å; I231-F261 PolarHBondContact N-O 3.11Å; I231-F261 PolarHBondContact O-N 3.39Å; I231-V263 HydrophobicContact CD1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG1 3.84Å; I231-L266 HydrophobicContact CD1-CD1 3.43Å; I231-L266 VanDerWaalsContact CD1-CD1 3.43Å; I231-I295 HydrophobicContact CG2-CB 3.96Å; I231-I295 HydrophobicContact CG2-CG2 4.3Å |
| 232 | P | 95.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | trans | -67 | 141.1 | 177.3 | 28 | -34.9 | 0 | 0 | 0 | 110.8 | L211 L214 F226 H230 I295 A296 | L211-P232 HydrophobicContact CD2-CG 4.19Å; L214-P232 HydrophobicContact CD1-CB 4.26Å; L214-P232 HydrophobicContact CD1-CG 3.62Å; F226-P232 HydrophobicContact CD1-CB 3.75Å; F226-P232 HydrophobicContact CE1-CB 3.62Å; F226-P232 HydrophobicContact CZ-CB 4.36Å; H230-P232 VanDerWaalsContact O-CD 3.29Å; H230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-I295 VanDerWaalsContact O-CA 3.31Å; P232-I295 WeakPolarHBondContact O-CA 3.49Å; P232-A296 WeakPolarHBondContact CD-O 3.43Å; P232-A296 HydrophobicContact CG-CB 4.22Å; P232-A296 WeakPolarHBondContact CG-O 3.29Å; P232-A296 PolarHBondContact O-N 3.34Å | ||
| 233 | I | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.3 | 164.4 | -177.9 | 173.8 | 0 | 0 | 0 | 107.8 | L104 F194 R224 Y255 F261 V276 V278 C293 Q294 I295 | L104-I233 HydrophobicContact CD1-CD1 4.21Å; L104-I233 HydrophobicContact CD2-CD1 4.36Å; F194-I233 HydrophobicContact CB-CD1 3.86Å; F194-I233 HydrophobicContact CD1-CD1 3.98Å; F194-I233 HydrophobicContact CD2-CD1 3.96Å; F194-I233 HydrophobicContact CG-CD1 3.64Å; R224-I233 PolarHBondContact NH1-O 3.29Å; R224-I233 PolarHBondContact NH2-O 3.39Å; I233-Y255 HydrophobicContact CG2-CD1 3.94Å; I233-Y255 HydrophobicContact CG2-CE1 4.32Å; I233-Y255 VanDerWaalsContact O-CE1 3.3Å; I233-Y255 WeakPolarHBondContact O-CE1 3.28Å; I233-F261 HydrophobicContact CB-CE2 4Å; I233-F261 HydrophobicContact CD1-CE2 4.15Å; I233-F261 HydrophobicContact CD1-CZ 4.42Å; I233-F261 HydrophobicContact CG2-CE2 4.24Å; I233-V276 HydrophobicContact CG2-CB 4.35Å; I233-V276 HydrophobicContact CG2-CG1 3.79Å; I233-V276 HydrophobicContact CG2-CG2 4.48Å; I233-V278 HydrophobicContact CD1-CG2 4.21Å; I233-C293 HydrophobicContact CD1-CB 4.39Å; I233-Q294 CarbonylContact C-O 3.52Å; I233-Q294 WeakPolarHBondContact CA-O 3.24Å; I233-I295 HydrophobicContact CB-CG2 4.12Å; I233-I295 HydrophobicContact CG1-CG2 4.36Å |
| 234 | S | 94.2 | Very high | 87.7 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.2 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | E221 Y255 C293 Q294 | E221-S234 WeakPolarHBondContact OE1-CB 3.31Å; E221-S234 PolarHBondContact OE1-OG 3.19Å; S234-Y255 WeakPolarHBondContact CA-OH 3.46Å; S234-C293 CarbonylContact O-C 3.58Å; S234-C293 WeakPolarHBondContact O-CA 3.29Å; S234-Q294 PolarHBondContact N-O 2.95Å; S234-Q294 PolarHBondContact O-N 2.77Å |
| 235 | C | 95.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.1 | 179.4 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | F253 Y255 V278 I291 R292 C293 | C235-F253 HydrophobicContact CB-CB 4.4Å; C235-F253 HydrophobicContact CB-CD1 3.93Å; C235-F253 HydrophobicContact CB-CD2 3.92Å; C235-F253 HydrophobicContact CB-CE1 4.16Å; C235-F253 HydrophobicContact CB-CE2 4.15Å; C235-F253 HydrophobicContact CB-CG 3.81Å; C235-F253 HydrophobicContact CB-CZ 4.27Å; C235-F253 WeakPolarHBondContact O-CD2 3.45Å; C235-F253 WeakPolarHBondContact O-CE2 3.35Å; C235-Y255 HydrophobicContact CB-CE1 4.44Å; C235-Y255 PolarHBondContact N-OH 3.36Å; C235-V278 HydrophobicContact CB-CG1 4.42Å; C235-I291 HydrophobicContact CB-CG2 4.4Å; C235-R292 CarbonylContact C-O 3.6Å; C235-R292 VanDerWaalsContact CA-O 3.25Å; C235-R292 WeakPolarHBondContact CA-O 3.5Å; C235-C293 HydrophobicContact CB-CB 4.16Å; C235-C293 WeakPolarHBondContact CB-SG 3.4Å; C235-C293 WeakPolarHBondContact SG-CB 3.34Å; C235-C293 CovalentContact SG-SG 2.04Å; C235-C293 PolarHBondContact SG-SG 3.36Å |
| 236 | S | 92.2 | Very high | 85.9 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.5 | 180 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | I291 R292 | S236-I291 WeakPolarHBondContact O-CA 3.21Å; S236-R292 PolarHBondContact N-O 3.41Å; S236-R292 PolarHBondContact O-N 2.69Å |
| 237 | V | 91.5 | Very high | 85 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.4 | 172 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | R239 M240 M252 F253 L289 | V237-R239 VanDerWaalsContact CG1-O 3.28Å; V237-R239 WeakPolarHBondContact CG1-O 3.48Å; V237-M240 HydrophobicContact CG1-CB 4.41Å; V237-M240 HydrophobicContact CG1-CE 4.3Å; V237-M252 HydrophobicContact CG2-CE 3.76Å; V237-M252 HydrophobicContact CG2-SD 3.49Å; V237-M252 WeakPolarHBondContact CG2-SD 3.26Å; V237-F253 HydrophobicContact CG2-CE2 4.12Å; V237-F253 HydrophobicContact CG2-CZ 3.95Å; V237-L289 HydrophobicContact CG1-CD2 4.13Å; V237-L289 HydrophobicContact CG2-CD2 4.47Å |
| 238 | M | 90 | Very high | 84 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -38.2 | 177.2 | -72 | -174.5 | 59.6 | 0 | 0 | 112.8 | H290 R292 E310 | M238-H290 PolarHBondContact N-O 3.26Å; M238-R292 HydrophobicContact CG-CB 3.76Å; M238-R292 HydrophobicContact SD-CB 3.64Å; M238-R292 HydrophobicContact SD-CG 4.36Å; M238-R292 PolarHBondContact SD-NE 2.81Å; M238-R292 PolarHBondContact SD-NH2 2.97Å; M238-R292 VanDerWaalsContact SD-NH2 3.36Å; M238-E310 HydrophobicContact SD-CG 4.11Å |
| 239 | R | 87.9 | Confident | 83 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 151.8 | -179.6 | -60.7 | -172.1 | -179.7 | 98.4 | 3.8 | 109 | V237 H290 | V237-R239 VanDerWaalsContact CG1-O 3.28Å; V237-R239 WeakPolarHBondContact CG1-O 3.48Å; R239-H290 HydrophobicContact CB-CB 3.95Å; R239-H290 PolarHBondContact O-N 2.96Å |
| 240 | M | 85.2 | Confident | 82.4 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.2 | 174.3 | 60.8 | -170.7 | 83.8 | 0 | 0 | 109.1 | V237 D242 E245 E288 L289 | V237-M240 HydrophobicContact CG1-CB 4.41Å; V237-M240 HydrophobicContact CG1-CE 4.3Å; M240-D242 WeakPolarHBondContact CG-O 3.48Å; M240-E245 HydrophobicContact CE-CG 4.11Å; M240-E245 HydrophobicContact SD-CB 4.39Å; M240-E245 HydrophobicContact SD-CG 3.88Å; M240-E288 WeakPolarHBondContact CA-O 3.43Å; M240-L289 HydrophobicContact CB-CD2 4.15Å |
| 241 | G | 81.1 | Confident | 81.9 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -77.5 | -22.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E288 | G241-E288 PolarHBondContact N-O 3.12Š|
| 242 | D | 73.6 | Confident | 81.7 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -93 | 160.8 | -177.9 | -57.7 | -54.1 | 0 | 0 | 0 | 113.5 | M240 V244 F286 S287 | M240-D242 WeakPolarHBondContact CG-O 3.48Å; D242-V244 VanDerWaalsContact C-N 3.29Å; D242-F286 VanDerWaalsContact OD2-C 3.3Å; D242-F286 WeakPolarHBondContact OD2-CA 3.25Å; D242-F286 WeakPolarHBondContact OD2-CB 3.5Å; D242-S287 WeakPolarHBondContact OD1-CB 3.32Å; D242-S287 PolarHBondContact OD1-OG 3.13Å; D242-S287 PolarHBondContact OD2-N 2.98Å; D242-S287 PolarHBondContact OD2-OG 3.39Å |
| 243 | I | 63.5 | Low | 81.7 | Confident | 172 Ų | 172 | 70.6 Ų | 70.6 | 88% | 0.882 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -80.2 | -16.3 | 173 | -52.5 | 171.5 | 0 | 0 | 0 | 111 | E245 | I243-E245 PolarHBondContact O-N 2.91Š|
| 244 | V | 69.2 | Low | 81.6 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 62% | 0.618 | 39% | 0.389 | S | S | * | . | trans | -84.1 | 102.2 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | D242 F286 | D242-V244 VanDerWaalsContact C-N 3.29Å; V244-F286 WeakPolarHBondContact O-CE1 3.49Å | ||
| 245 | E | 70.6 | Confident | 81.7 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 146.2 | 170.1 | -66.8 | 177.1 | 175.6 | 0 | 0 | 110.2 | M240 I243 | M240-E245 HydrophobicContact CE-CG 4.11Å; M240-E245 HydrophobicContact SD-CB 4.39Å; M240-E245 HydrophobicContact SD-CG 3.88Å; I243-E245 PolarHBondContact O-N 2.91Å |
| 246 | P | 68.5 | Low | 81.7 | Confident | 37 Ų | 37 | 73.2 Ų | 73.2 | 24% | 0.24 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 146.9 | 165.2 | -21.2 | 31.6 | 0 | 0 | 0 | 110 | M252 F286 | P246-M252 HydrophobicContact CG-SD 4.33Å; P246-F286 HydrophobicContact CG-CE1 4.48Å; P246-F286 HydrophobicContact CG-CZ 4.09Å |
| 247 | K | 71.4 | Confident | 81.8 | Confident | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 144.6 | 175.5 | -65.5 | 177.6 | -179.1 | 175 | 0 | 109.4 | G249 E250 | K247-G249 PolarHBondContact O-N 3.22Å; K247-G249 VanDerWaalsContact O-N 3.14Å; K247-E250 HydrophobicContact CB-CB 4.23Å; K247-E250 PolarHBondContact N-OE2 2.95Å; K247-E250 VanDerWaalsContact N-OE2 3.14Å; K247-E250 WeakPolarHBondContact O-CB 3.12Å; K247-E250 PolarHBondContact O-N 3.05Å |
| 248 | D | 70.1 | Confident | 81.9 | Confident | 172 Ų | 172 | 73.4 Ų | 73.4 | 92% | 0.92 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 122.9 | 174.7 | -74.1 | -29.4 | 0 | 0 | 0 | 110.8 | E250 | D248-E250 VanDerWaalsContact C-N 3.33Š|
| 249 | G | 69.1 | Low | 82 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 6.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K247 Q251 | K247-G249 PolarHBondContact O-N 3.22Å; K247-G249 VanDerWaalsContact O-N 3.14Å; G249-Q251 PolarHBondContact O-N 3.15Å |
| 250 | E | 78.3 | Confident | 82.3 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | trans | -68.1 | 119.3 | 172.2 | -173.2 | 173.2 | 175.8 | 0 | 0 | 110.6 | K247 D248 M252 R285 | K247-E250 HydrophobicContact CB-CB 4.23Å; K247-E250 PolarHBondContact N-OE2 2.95Å; K247-E250 VanDerWaalsContact N-OE2 3.14Å; K247-E250 WeakPolarHBondContact O-CB 3.12Å; K247-E250 PolarHBondContact O-N 3.05Å; D248-E250 VanDerWaalsContact C-N 3.33Å; E250-M252 PolarHBondContact O-N 3.05Å; E250-R285 IonicContact OE1-CZ 3.23Å; E250-R285 IonicContact OE1-NH1 3.5Å; E250-R285 PolarHBondContact OE1-NH1 3.23Å; E250-R285 IonicContact OE1-NH2 3.47Å; E250-R285 PolarHBondContact OE1-NH2 2.97Å; E250-R285 IonicContact OE2-NH1 2.86Å | ||
| 251 | Q | 83 | Confident | 82.7 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | trans | -74.3 | 97.6 | 178 | -172.8 | 172.6 | 8.9 | 0 | 0 | 110.5 | G249 F253 N254 | G249-Q251 PolarHBondContact O-N 3.15Å; Q251-F253 WeakPolarHBondContact CG-O 3.23Å; Q251-F253 PolarHBondContact NE2-O 2.87Å; Q251-N254 PolarHBondContact NE2-OD1 2.91Å | ||
| 252 | M | 90.5 | Very high | 83.2 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.054 | 32% | 0.321 | C | S | . | . | trans | -82.8 | -24.4 | 179.4 | -173.8 | 169.5 | 172.9 | 0 | 0 | 113.2 | V237 P246 E250 I280 A281 F286 L289 | V237-M252 HydrophobicContact CG2-CE 3.76Å; V237-M252 HydrophobicContact CG2-SD 3.49Å; V237-M252 WeakPolarHBondContact CG2-SD 3.26Å; P246-M252 HydrophobicContact CG-SD 4.33Å; E250-M252 PolarHBondContact O-N 3.05Å; M252-I280 HydrophobicContact CE-CG2 4.01Å; M252-I280 HydrophobicContact CG-CG2 4.48Å; M252-A281 WeakPolarHBondContact O-CB 3.13Å; M252-A281 PolarHBondContact O-N 3.4Å; M252-F286 HydrophobicContact CE-CD2 4.33Å; M252-F286 HydrophobicContact CE-CE2 4.19Å; M252-L289 HydrophobicContact CE-CD1 3.21Å; M252-L289 HydrophobicContact CE-CD2 3.92Å; M252-L289 HydrophobicContact CE-CG 4.13Å | ||
| 253 | F | 94.3 | Very high | 83.9 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126 | -177.9 | -56.9 | -73.1 | 0 | 0 | 0 | 110.7 | C235 V237 Q251 Y255 V278 Q279 I280 I291 | C235-F253 HydrophobicContact CB-CB 4.4Å; C235-F253 HydrophobicContact CB-CD1 3.93Å; C235-F253 HydrophobicContact CB-CD2 3.92Å; C235-F253 HydrophobicContact CB-CE1 4.16Å; C235-F253 HydrophobicContact CB-CE2 4.15Å; C235-F253 HydrophobicContact CB-CG 3.81Å; C235-F253 HydrophobicContact CB-CZ 4.27Å; C235-F253 WeakPolarHBondContact O-CD2 3.45Å; C235-F253 WeakPolarHBondContact O-CE2 3.35Å; V237-F253 HydrophobicContact CG2-CE2 4.12Å; V237-F253 HydrophobicContact CG2-CZ 3.95Å; Q251-F253 WeakPolarHBondContact CG-O 3.23Å; Q251-F253 PolarHBondContact NE2-O 2.87Å; F253-Y255 HydrophobicContact CB-CE1 4.46Å; F253-Y255 HydrophobicContact CB-CE2 4.09Å; F253-V278 HydrophobicContact CB-CG1 4.28Å; F253-V278 HydrophobicContact CD1-CG1 3.92Å; F253-V278 HydrophobicContact CG-CG1 4.48Å; F253-Q279 WeakPolarHBondContact CA-O 3.42Å; F253-I280 HydrophobicContact CD1-CG1 4.33Å; F253-I280 HydrophobicContact CE1-CG1 4.17Å; F253-I280 HydrophobicContact CE1-CG2 4.15Å; F253-I291 HydrophobicContact CE1-CD1 4.09Å; F253-I291 HydrophobicContact CE1-CG1 4.39Å; F253-I291 HydrophobicContact CE1-CG2 3.85Å; F253-I291 HydrophobicContact CZ-CD1 4.28Å; F253-I291 HydrophobicContact CZ-CG1 4.14Å; F253-I291 HydrophobicContact CZ-CG2 3.77Å |
| 254 | N | 94.8 | Very high | 84.9 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.4 | 170.8 | -56.7 | -47.7 | 0 | 0 | 0 | 109.3 | Q251 F256 V278 Q279 | Q251-N254 PolarHBondContact NE2-OD1 2.91Å; N254-F256 HydrophobicContact CB-CE2 3.81Å; N254-F256 HydrophobicContact CB-CZ 3.72Å; N254-V278 CarbonylContact O-C 3.5Å; N254-V278 WeakPolarHBondContact O-CA 3.4Å; N254-Q279 HydrophobicContact CB-CB 4.22Å; N254-Q279 PolarHBondContact N-O 3.41Å; N254-Q279 PolarHBondContact ND2-OE1 2.82Å; N254-Q279 PolarHBondContact O-N 2.8Å |
| 255 | Y | 95.5 | Very high | 85.6 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.3 | -173.6 | -52.7 | -92 | 0 | 0 | 0 | 110.3 | E221 R224 I233 S234 C235 F253 P257 D258 F277 V278 | E221-Y255 PolarHBondContact OE1-OH 2.73Å; R224-Y255 VanDerWaalsContact CZ-CE2 3.43Å; R224-Y255 VanDerWaalsContact CZ-CG 3.45Å; R224-Y255 VanDerWaalsContact NE-CD2 3.34Å; I233-Y255 HydrophobicContact CG2-CD1 3.94Å; I233-Y255 HydrophobicContact CG2-CE1 4.32Å; I233-Y255 VanDerWaalsContact O-CE1 3.3Å; I233-Y255 WeakPolarHBondContact O-CE1 3.28Å; S234-Y255 WeakPolarHBondContact CA-OH 3.46Å; C235-Y255 HydrophobicContact CB-CE1 4.44Å; C235-Y255 PolarHBondContact N-OH 3.36Å; F253-Y255 HydrophobicContact CB-CE1 4.46Å; F253-Y255 HydrophobicContact CB-CE2 4.09Å; Y255-P257 CarbonylContact C-O 3.59Å; Y255-P257 CarbonylContact O-C 3.5Å; Y255-D258 WeakPolarHBondContact O-CA 3.46Å; Y255-D258 PolarHBondContact O-N 3.45Å; Y255-F277 CarbonylContact C-O 3.25Å; Y255-F277 WeakPolarHBondContact CA-O 3.46Å; Y255-V278 HydrophobicContact CD1-CG1 4.5Å; Y255-V278 HydrophobicContact CD1-CG2 3.78Å; Y255-V278 HydrophobicContact CE1-CG1 4.28Å; Y255-V278 HydrophobicContact CE1-CG2 3.96Å |
| 256 | F | 95.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 107.3 | 179.2 | -50.5 | -79.8 | 0 | 0 | 0 | 110.6 | L173 N176 N254 V276 F277 Q279 | L173-F256 WeakPolarHBondContact CD2-O 3.39Å; L173-F256 WeakPolarHBondContact O-CB 3.47Å; N176-F256 HydrophobicContact CB-CE1 4.47Å; N176-F256 HydrophobicContact CB-CE2 4.15Å; N176-F256 HydrophobicContact CB-CZ 3.95Å; N176-F256 WeakPolarHBondContact ND2-CE1 3.29Å; N176-F256 WeakPolarHBondContact ND2-CZ 3.42Å; N254-F256 HydrophobicContact CB-CE2 3.81Å; N254-F256 HydrophobicContact CB-CZ 3.72Å; F256-V276 CarbonylContact O-C 3.57Å; F256-V276 WeakPolarHBondContact O-CA 3.35Å; F256-F277 HydrophobicContact CB-CB 4.28Å; F256-F277 HydrophobicContact CD2-CB 4.22Å; F256-F277 PolarHBondContact N-O 2.87Å; F256-F277 PolarHBondContact O-N 3.22Å; F256-Q279 HydrophobicContact CE2-CB 3.84Å |
| 257 | P | 94.3 | Very high | 86.4 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | S | Bend | cis | -64.4 | 153.6 | -3.7 | -20 | 32.4 | 0 | 0 | 0 | 114.2 | W172 Y255 S259 G260 | W172-P257 HydrophobicContact CB-CG 4.29Å; Y255-P257 CarbonylContact C-O 3.59Å; Y255-P257 CarbonylContact O-C 3.5Å; P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 PolarHBondContact O-N 3.26Å; P257-G260 PolarHBondContact O-N 2.87Å |
| 258 | D | 93 | Very high | 86.1 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -31.7 | 178.9 | -176.9 | 57.5 | 0 | 0 | 0 | 112.8 | R224 Q225 Y255 G260 | R224-D258 WeakPolarHBondContact CA-OD2 3.34Å; R224-D258 WeakPolarHBondContact CG-OD1 3.49Å; R224-D258 VanDerWaalsContact CZ-O 3.28Å; R224-D258 PolarHBondContact NE-O 3.42Å; R224-D258 VanDerWaalsContact NE-O 3.14Å; R224-D258 IonicContact NE-OD1 3.34Å; R224-D258 PolarHBondContact NE-OD1 3.19Å; R224-D258 PolarHBondContact NH2-O 3.43Å; Q225-D258 PolarHBondContact N-OD2 3.06Å; Y255-D258 WeakPolarHBondContact O-CA 3.46Å; Y255-D258 PolarHBondContact O-N 3.45Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 2.65Å |
| 259 | S | 92.3 | Very high | 85.6 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | Q225 H230 P257 | Q225-S259 WeakPolarHBondContact O-CA 3.41Å; Q225-S259 VanDerWaalsContact O-CB 3.31Å; Q225-S259 WeakPolarHBondContact O-CB 3.35Å; Q225-S259 PolarHBondContact O-OG 2.73Å; H230-S259 WeakPolarHBondContact CB-O 3.35Å; P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 PolarHBondContact O-N 3.26Å |
| 260 | G | 94.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | 102 | -148 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H230 I231 P257 D258 V276 | H230-G260 PolarHBondContact CD2-O 3.3Å; I231-G260 CarbonylContact O-C 3.53Å; I231-G260 WeakPolarHBondContact O-CA 3.38Å; P257-G260 PolarHBondContact O-N 2.87Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 2.65Å; G260-V276 VanDerWaalsContact C-CG2 3.42Å; G260-V276 WeakPolarHBondContact O-CG2 3.44Å | ||
| 261 | F | 94.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.8 | -173.9 | -62.8 | -83 | 0 | 0 | 0 | 112 | L104 F194 L196 H230 I231 I233 V263 P274 V276 I295 | L104-F261 HydrophobicContact CD1-CE2 3.88Å; L104-F261 HydrophobicContact CD1-CZ 3.71Å; F194-F261 HydrophobicContact CB-CZ 3.86Å; F194-F261 WeakPolarHBondContact O-CE1 2.8Å; L196-F261 HydrophobicContact CB-CD1 3.71Å; L196-F261 HydrophobicContact CB-CD2 4.35Å; L196-F261 HydrophobicContact CB-CE1 3.82Å; L196-F261 HydrophobicContact CB-CE2 4.44Å; L196-F261 HydrophobicContact CB-CG 3.99Å; L196-F261 HydrophobicContact CB-CZ 4.19Å; L196-F261 HydrophobicContact CD2-CB 4.1Å; L196-F261 HydrophobicContact CD2-CD2 4.27Å; L196-F261 HydrophobicContact CD2-CG 4.1Å; H230-F261 CarbonylContact C-O 3.58Å; H230-F261 WeakPolarHBondContact CA-O 3.38Å; I231-F261 HydrophobicContact CB-CB 4.31Å; I231-F261 PolarHBondContact N-O 3.11Å; I231-F261 PolarHBondContact O-N 3.39Å; I233-F261 HydrophobicContact CB-CE2 4Å; I233-F261 HydrophobicContact CD1-CE2 4.15Å; I233-F261 HydrophobicContact CD1-CZ 4.42Å; I233-F261 HydrophobicContact CG2-CE2 4.24Å; F261-V263 PolarHBondContact O-N 2.94Å; F261-P274 HydrophobicContact CB-CB 4.34Å; F261-P274 HydrophobicContact CB-CG 4.23Å; F261-P274 HydrophobicContact CD1-CB 4.1Å; F261-P274 HydrophobicContact CD1-CG 4.15Å; F261-V276 HydrophobicContact CD1-CB 4.4Å; F261-V276 HydrophobicContact CD1-CG2 3.62Å; F261-V276 HydrophobicContact CD2-CG2 4.06Å; F261-V276 HydrophobicContact CE1-CB 3.97Å; F261-V276 HydrophobicContact CE1-CG2 3.69Å; F261-V276 HydrophobicContact CE2-CB 4.47Å; F261-V276 HydrophobicContact CE2-CG2 4.13Å; F261-V276 HydrophobicContact CG-CG2 3.8Å; F261-V276 HydrophobicContact CZ-CB 4.01Å; F261-V276 HydrophobicContact CZ-CG2 3.95Å; F261-I295 HydrophobicContact CD2-CG2 3.99Å; F261-I295 HydrophobicContact CE2-CG2 3.66Å |
| 262 | N | 90.7 | Very high | 85.6 | Confident | 31 Ų | 31 | 42 Ų | 42 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 119.2 | 177.9 | -174.6 | -30.4 | 0 | 0 | 0 | 111.6 | N229 H230 T264 F265 | N229-N262 WeakPolarHBondContact O-CA 3.5Å; H230-N262 VanDerWaalsContact CD2-CA 3.42Å; H230-N262 WeakPolarHBondContact CD2-CA 3.41Å; H230-N262 PolarHBondContact CD2-N 3.08Å; N262-T264 PolarHBondContact O-N 2.93Å; N262-T264 WeakPolarHBondContact OD1-CB 3.29Å; N262-T264 PolarHBondContact OD1-N 3.18Å; N262-T264 PolarHBondContact OD1-OG1 3.33Å; N262-F265 HydrophobicContact CB-CD2 3.9Å; N262-F265 HydrophobicContact CB-CE2 4.25Å; N262-F265 PolarHBondContact O-N 3.39Å |
| 263 | V | 88.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -63.2 | -22.9 | -176.8 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | P204 L206 N229 I231 F261 F265 L266 Y267 | P204-V263 HydrophobicContact CG-CB 4.39Å; P204-V263 HydrophobicContact CG-CG1 3.75Å; L206-V263 HydrophobicContact CD1-CG1 4.17Å; N229-V263 VanDerWaalsContact O-CG2 3.29Å; N229-V263 WeakPolarHBondContact O-CG2 3.31Å; N229-V263 PolarHBondContact O-N 3.34Å; I231-V263 HydrophobicContact CD1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG1 3.84Å; F261-V263 PolarHBondContact O-N 2.94Å; V263-F265 PolarHBondContact O-N 3.29Å; V263-F265 VanDerWaalsContact O-N 3.16Å; V263-L266 WeakPolarHBondContact O-CB 3.21Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-Y267 HydrophobicContact CG2-CE2 4.26Å; V263-Y267 WeakPolarHBondContact O-CD2 3.31Å; V263-Y267 VanDerWaalsContact O-CE2 3.31Å; V263-Y267 WeakPolarHBondContact O-CE2 3.35Å |
| 264 | T | 83.6 | Confident | 85.5 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -57.5 | -32.6 | 179.1 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | C154 N262 L266 | C154-T264 HydrophobicContact CB-CG2 4.33Å; N262-T264 PolarHBondContact O-N 2.93Å; N262-T264 WeakPolarHBondContact OD1-CB 3.29Å; N262-T264 PolarHBondContact OD1-N 3.18Å; N262-T264 PolarHBondContact OD1-OG1 3.33Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 2.76Å |
| 265 | F | 83.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -77.5 | -10.4 | 179.1 | -69.9 | -91.9 | 0 | 0 | 0 | 113.6 | C166 F168 W172 N262 V263 S270 P274 | C166-F265 HydrophobicContact CB-CD1 4.48Å; C166-F265 HydrophobicContact CB-CE1 3.94Å; C166-F265 HydrophobicContact CB-CZ 4.32Å; F168-F265 HydrophobicContact CB-CE1 3.76Å; F168-F265 HydrophobicContact CB-CZ 4.2Å; F168-F265 HydrophobicContact CD2-CD1 4.17Å; F168-F265 AromaticContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE2 4.22Å; F168-F265 AromaticContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CG-CE1 4.31Å; F168-F265 HydrophobicContact CG-CZ 4.48Å; W172-F265 HydrophobicContact CH2-CE2 4.23Å; W172-F265 AromaticContact CH2-CZ 3.92Å; W172-F265 HydrophobicContact CH2-CZ 3.92Å; W172-F265 AromaticContact CZ3-CE2 3.69Å; W172-F265 HydrophobicContact CZ3-CE2 3.69Å; W172-F265 AromaticContact CZ3-CZ 3.52Å; W172-F265 HydrophobicContact CZ3-CZ 3.52Å; N262-F265 HydrophobicContact CB-CD2 3.9Å; N262-F265 HydrophobicContact CB-CE2 4.25Å; N262-F265 PolarHBondContact O-N 3.39Å; V263-F265 PolarHBondContact O-N 3.29Å; V263-F265 VanDerWaalsContact O-N 3.16Å; F265-S270 WeakPolarHBondContact O-CB 3.31Å; F265-S270 PolarHBondContact O-OG 2.78Å; F265-P274 HydrophobicContact CB-CB 3.83Å; F265-P274 HydrophobicContact CB-CG 3.9Å; F265-P274 HydrophobicContact CG-CB 4.27Å |
| 266 | L | 82.7 | Confident | 85.6 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -83.5 | -18.7 | 176.2 | -59.7 | -178.7 | 0 | 0 | 0 | 112.9 | L196 V199 W202 P204 I231 V263 T264 P274 | L196-L266 HydrophobicContact CD2-CD1 4.11Å; L196-L266 HydrophobicContact CD2-CD2 3.92Å; L196-L266 HydrophobicContact CG-CD2 4.1Å; V199-L266 HydrophobicContact CG1-CD2 4.23Å; V199-L266 HydrophobicContact CG2-CB 4.32Å; V199-L266 HydrophobicContact CG2-CD1 4.36Å; V199-L266 HydrophobicContact CG2-CD2 4.18Å; W202-L266 HydrophobicContact CZ3-CD1 4.42Å; P204-L266 HydrophobicContact CG-CD1 4.33Å; I231-L266 HydrophobicContact CD1-CD1 3.43Å; I231-L266 VanDerWaalsContact CD1-CD1 3.43Å; V263-L266 WeakPolarHBondContact O-CB 3.21Å; V263-L266 PolarHBondContact O-N 3.31Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 2.76Å; L266-P274 HydrophobicContact CD2-CG 4.06Å |
| 267 | Y | 73.6 | Confident | 85.7 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -80.2 | 160.1 | 177.7 | -55.1 | -61.8 | 0 | 0 | 0 | 111.3 | V263 H269 S270 | V263-Y267 HydrophobicContact CG2-CE2 4.26Å; V263-Y267 WeakPolarHBondContact O-CD2 3.31Å; V263-Y267 VanDerWaalsContact O-CE2 3.31Å; V263-Y267 WeakPolarHBondContact O-CE2 3.35Å; Y267-H269 PolarHBondContact O-N 2.96Å; Y267-S270 PolarHBondContact O-N 3.15Å |
| 268 | E | 64.3 | Low | 85.9 | Confident | 200 Ų | 200 | 37.3 Ų | 37.3 | 94% | 0.935 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 2.5 | -177 | -67.6 | 179 | 170.4 | 0 | 0 | 115.7 | ||
| 269 | H | 59.9 | Low | 86 | Confident | 79 Ų | 79 | 35.6 Ų | 35.6 | 37% | 0.366 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.3 | 178.8 | -57.1 | -50.3 | 0 | 0 | 0 | 113.9 | I165 C166 Y267 | I165-H269 CarbonylContact C-O 3.53Å; I165-H269 WeakPolarHBondContact CA-O 3.47Å; C166-H269 PolarHBondContact N-O 3.17Å; Y267-H269 PolarHBondContact O-N 2.96Å |
| 270 | S | 66 | Low | 86.2 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 19% | 0.189 | 17% | 0.17 | C | C | . | . | trans | -124.2 | 135.8 | 179.1 | 106 | 0 | 0 | 0 | 0 | 111.9 | F265 Y267 L272 | F265-S270 WeakPolarHBondContact O-CB 3.31Å; F265-S270 PolarHBondContact O-OG 2.78Å; Y267-S270 PolarHBondContact O-N 3.15Å; S270-L272 PolarHBondContact OG-O 2.71Å | ||
| 271 | M | 77.2 | Confident | 86.1 | Confident | 131 Ų | 131 | 35.2 Ų | 35.2 | 65% | 0.645 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -88 | -21.2 | 174 | -76.3 | -168.1 | -77.8 | 0 | 0 | 112.5 | L151 I165 | L151-M271 HydrophobicContact CD2-CE 4.04Å; I165-M271 HydrophobicContact CD1-CE 3.84Å; I165-M271 HydrophobicContact CD1-CG 4.43Å; I165-M271 HydrophobicContact CD1-SD 4.34Å; I165-M271 HydrophobicContact CG2-CB 4.45Å; I165-M271 HydrophobicContact CG2-CE 3.89Å; I165-M271 HydrophobicContact CG2-CG 4Å |
| 272 | L | 87.3 | Confident | 85.9 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -120.6 | 134.7 | -173.3 | -63.9 | 178.7 | 0 | 0 | 0 | 110.3 | V143 Y144 Q147 S270 | V143-L272 HydrophobicContact CG1-CD1 4.27Å; V143-L272 HydrophobicContact CG1-CD2 3.72Å; Y144-L272 HydrophobicContact CD1-CB 4.32Å; Y144-L272 HydrophobicContact CD1-CD1 3.84Å; Y144-L272 HydrophobicContact CD2-CD1 4.48Å; Y144-L272 HydrophobicContact CE1-CB 3.68Å; Y144-L272 HydrophobicContact CE1-CD1 4.02Å; Y144-L272 HydrophobicContact CE1-CG 4.42Å; Y144-L272 HydrophobicContact CG-CD1 4.09Å; Q147-L272 HydrophobicContact CG-CD1 3.74Å; S270-L272 PolarHBondContact OG-O 2.71Å |
| 273 | P | 90.7 | Very high | 85.9 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | trans | -66.4 | 149.7 | -179.5 | 24.2 | -30 | 0 | 0 | 0 | 111.6 | Y144 V195 L196 | Y144-P273 WeakPolarHBondContact CE1-O 3.4Å; Y144-P273 VanDerWaalsContact OH-CD 3.27Å; Y144-P273 WeakPolarHBondContact OH-CD 3.31Å; Y144-P273 VanDerWaalsContact OH-CG 3.31Å; Y144-P273 WeakPolarHBondContact OH-CG 3.41Å; Y144-P273 PolarHBondContact OH-O 3.24Å; V195-P273 HydrophobicContact CG1-CB 3.8Å; V195-P273 HydrophobicContact CG1-CG 3.55Å; L196-P273 WeakPolarHBondContact O-CB 3.41Å | ||
| 274 | P | 92.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | trans | -68.2 | 153.9 | 175.7 | 28.3 | -31.4 | 0 | 0 | 0 | 111.3 | L196 F261 F265 L266 | L196-P274 HydrophobicContact CB-CG 4.19Å; L196-P274 PolarHBondContact N-O 2.72Å; F261-P274 HydrophobicContact CB-CB 4.34Å; F261-P274 HydrophobicContact CB-CG 4.23Å; F261-P274 HydrophobicContact CD1-CB 4.1Å; F261-P274 HydrophobicContact CD1-CG 4.15Å; F265-P274 HydrophobicContact CB-CB 3.83Å; F265-P274 HydrophobicContact CB-CG 3.9Å; F265-P274 HydrophobicContact CG-CB 4.27Å; L266-P274 HydrophobicContact CD2-CG 4.06Å | ||
| 275 | L | 95.6 | Very high | 86 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.1 | -172.3 | -59.5 | -179.7 | 0 | 0 | 0 | 111.2 | Y140 L141 Y144 F168 L173 L193 F194 V195 | Y140-L275 HydrophobicContact CE1-CD2 4.05Å; L141-L275 HydrophobicContact CD2-CD1 3.51Å; Y144-L275 HydrophobicContact CD1-CD1 3.76Å; Y144-L275 HydrophobicContact CD1-CG 4.49Å; Y144-L275 HydrophobicContact CD2-CD1 4.06Å; Y144-L275 HydrophobicContact CE1-CD1 3.49Å; Y144-L275 VanDerWaalsContact CE1-CD1 3.49Å; Y144-L275 HydrophobicContact CE1-CD2 4.4Å; Y144-L275 HydrophobicContact CE1-CG 3.78Å; Y144-L275 HydrophobicContact CE2-CD1 3.84Å; Y144-L275 HydrophobicContact CE2-CD2 4.4Å; Y144-L275 HydrophobicContact CE2-CG 4.45Å; Y144-L275 HydrophobicContact CG-CD1 4.03Å; Y144-L275 WeakPolarHBondContact OH-CD2 3.46Å; F168-L275 HydrophobicContact CD1-CD1 4.48Å; F168-L275 HydrophobicContact CE1-CB 4.17Å; F168-L275 HydrophobicContact CE1-CD1 4.03Å; F168-L275 HydrophobicContact CE1-CG 4.34Å; F168-L275 HydrophobicContact CE2-CB 4.28Å; F168-L275 HydrophobicContact CZ-CB 3.7Å; F168-L275 HydrophobicContact CZ-CD1 4.37Å; F168-L275 HydrophobicContact CZ-CG 4.19Å; L173-L275 HydrophobicContact CD1-CB 4.4Å; L173-L275 HydrophobicContact CD1-CD1 4.14Å; L173-L275 HydrophobicContact CD2-CB 3.93Å; L193-L275 HydrophobicContact CD1-CB 4.04Å; L193-L275 HydrophobicContact CD1-CD1 4.4Å; L193-L275 HydrophobicContact CD1-CD2 4.23Å; L193-L275 HydrophobicContact CD1-CG 4.48Å; L193-L275 HydrophobicContact CD2-CD2 4.42Å; L193-L275 HydrophobicContact CG-CD2 4.47Å; F194-L275 WeakPolarHBondContact O-CA 3.32Å; V195-L275 HydrophobicContact CB-CD2 4.07Å; V195-L275 HydrophobicContact CG1-CD2 3.87Å; V195-L275 HydrophobicContact CG2-CD2 3.64Å |
| 276 | V | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131.2 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | F194 I233 F256 G260 F261 | F194-V276 PolarHBondContact N-O 3.2Å; F194-V276 PolarHBondContact O-N 2.99Å; I233-V276 HydrophobicContact CG2-CB 4.35Å; I233-V276 HydrophobicContact CG2-CG1 3.79Å; I233-V276 HydrophobicContact CG2-CG2 4.48Å; F256-V276 CarbonylContact O-C 3.57Å; F256-V276 WeakPolarHBondContact O-CA 3.35Å; G260-V276 VanDerWaalsContact C-CG2 3.42Å; G260-V276 WeakPolarHBondContact O-CG2 3.44Å; F261-V276 HydrophobicContact CD1-CB 4.4Å; F261-V276 HydrophobicContact CD1-CG2 3.62Å; F261-V276 HydrophobicContact CD2-CG2 4.06Å; F261-V276 HydrophobicContact CE1-CB 3.97Å; F261-V276 HydrophobicContact CE1-CG2 3.69Å; F261-V276 HydrophobicContact CE2-CB 4.47Å; F261-V276 HydrophobicContact CE2-CG2 4.13Å; F261-V276 HydrophobicContact CG-CG2 3.8Å; F261-V276 HydrophobicContact CZ-CB 4.01Å; F261-V276 HydrophobicContact CZ-CG2 3.95Å |
| 277 | F | 97.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 138.4 | 163.1 | -81.9 | -61.2 | 0 | 0 | 0 | 110.9 | M137 L141 L173 C177 Y183 C191 V192 L193 Y255 F256 | M137-F277 HydrophobicContact CE-CD1 4.12Å; M137-F277 HydrophobicContact CE-CE1 3.31Å; M137-F277 HydrophobicContact CE-CZ 4.11Å; L141-F277 HydrophobicContact CD1-CE2 4.36Å; L141-F277 HydrophobicContact CD1-CZ 3.85Å; L173-F277 HydrophobicContact CB-CD2 3.7Å; L173-F277 HydrophobicContact CB-CE2 3.87Å; L173-F277 HydrophobicContact CD1-CD2 4.1Å; L173-F277 HydrophobicContact CD1-CE2 3.7Å; L173-F277 HydrophobicContact CD2-CD2 4.15Å; L173-F277 HydrophobicContact CG-CD2 4.21Å; L173-F277 HydrophobicContact CG-CE2 4.26Å; C177-F277 HydrophobicContact CB-CB 3.93Å; C177-F277 HydrophobicContact CB-CD1 4.05Å; C177-F277 HydrophobicContact CB-CD2 3.3Å; C177-F277 HydrophobicContact CB-CE1 4.4Å; C177-F277 HydrophobicContact CB-CE2 3.74Å; C177-F277 HydrophobicContact CB-CG 3.51Å; C177-F277 HydrophobicContact CB-CZ 4.28Å; C177-F277 VanDerWaalsContact O-CE2 3.25Å; C177-F277 WeakPolarHBondContact O-CE2 3.48Å; Y183-F277 HydrophobicContact CD1-CE1 4.03Å; Y183-F277 HydrophobicContact CD1-CE2 4.22Å; Y183-F277 AromaticContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CD1-CZ 3.49Å; Y183-F277 VanDerWaalsContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CE1-CE2 4.37Å; Y183-F277 AromaticContact CE1-CZ 3.68Å; Y183-F277 HydrophobicContact CE1-CZ 3.68Å; C191-F277 HydrophobicContact CB-CD1 3.89Å; C191-F277 HydrophobicContact CB-CE1 4.42Å; C191-F277 HydrophobicContact CB-CG 4.38Å; V192-F277 WeakPolarHBondContact O-CA 3.42Å; L193-F277 HydrophobicContact CB-CD1 3.91Å; L193-F277 HydrophobicContact CB-CE1 3.55Å; L193-F277 HydrophobicContact CB-CZ 4.39Å; L193-F277 HydrophobicContact CD1-CD1 3.98Å; L193-F277 HydrophobicContact CD1-CE1 3.77Å; L193-F277 HydrophobicContact CD1-CE2 4.41Å; L193-F277 HydrophobicContact CD1-CG 4.36Å; L193-F277 HydrophobicContact CD1-CZ 4Å; L193-F277 HydrophobicContact CG-CE1 4.21Å; Y255-F277 CarbonylContact C-O 3.25Å; Y255-F277 WeakPolarHBondContact CA-O 3.46Å; F256-F277 HydrophobicContact CB-CB 4.28Å; F256-F277 HydrophobicContact CD2-CB 4.22Å; F256-F277 PolarHBondContact N-O 2.87Å; F256-F277 PolarHBondContact O-N 3.22Å |
| 278 | V | 97.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.1 | 163.1 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | C191 V192 F194 I233 C235 F253 N254 Y255 | C191-V278 CarbonylContact C-O 3.57Å; C191-V278 WeakPolarHBondContact CA-O 3.29Å; V192-V278 PolarHBondContact N-O 3.17Å; V192-V278 PolarHBondContact O-N 3.49Å; F194-V278 HydrophobicContact CD2-CB 3.98Å; F194-V278 HydrophobicContact CD2-CG2 3.43Å; F194-V278 VanDerWaalsContact CD2-CG2 3.43Å; F194-V278 HydrophobicContact CE2-CB 3.82Å; F194-V278 HydrophobicContact CE2-CG2 3.58Å; I233-V278 HydrophobicContact CD1-CG2 4.21Å; C235-V278 HydrophobicContact CB-CG1 4.42Å; F253-V278 HydrophobicContact CB-CG1 4.28Å; F253-V278 HydrophobicContact CD1-CG1 3.92Å; F253-V278 HydrophobicContact CG-CG1 4.48Å; N254-V278 CarbonylContact O-C 3.5Å; N254-V278 WeakPolarHBondContact O-CA 3.4Å; Y255-V278 HydrophobicContact CD1-CG1 4.5Å; Y255-V278 HydrophobicContact CD1-CG2 3.78Å; Y255-V278 HydrophobicContact CE1-CG1 4.28Å; Y255-V278 HydrophobicContact CE1-CG2 3.96Å |
| 279 | Q | 96.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.2 | 171.9 | 177.5 | 177.8 | 65.5 | 0 | 0 | 109.8 | N189 F253 N254 F256 | N189-Q279 HydrophobicContact CB-CG 3.82Å; N189-Q279 WeakPolarHBondContact O-CG 3.37Å; N189-Q279 PolarHBondContact O-NE2 2.78Å; F253-Q279 WeakPolarHBondContact CA-O 3.42Å; N254-Q279 HydrophobicContact CB-CB 4.22Å; N254-Q279 PolarHBondContact N-O 3.41Å; N254-Q279 PolarHBondContact ND2-OE1 2.82Å; N254-Q279 PolarHBondContact O-N 2.8Å; F256-Q279 HydrophobicContact CE2-CB 3.84Å |
| 280 | I | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 172.5 | -45.2 | 172.6 | 0 | 0 | 0 | 107.6 | L118 N189 P190 M252 F253 P283 I291 F311 | L118-I280 HydrophobicContact CD2-CD1 3.99Å; N189-I280 CarbonylContact C-O 3.51Å; N189-I280 VanDerWaalsContact CA-O 3.25Å; N189-I280 WeakPolarHBondContact CA-O 3.44Å; P190-I280 PolarHBondContact O-N 3.49Å; M252-I280 HydrophobicContact CE-CG2 4.01Å; M252-I280 HydrophobicContact CG-CG2 4.48Å; F253-I280 HydrophobicContact CD1-CG1 4.33Å; F253-I280 HydrophobicContact CE1-CG1 4.17Å; F253-I280 HydrophobicContact CE1-CG2 4.15Å; I280-P283 HydrophobicContact CB-CB 4.43Å; I280-P283 HydrophobicContact CB-CG 4.23Å; I280-P283 HydrophobicContact CG2-CB 3.68Å; I280-P283 HydrophobicContact CG2-CG 4.01Å; I280-P283 WeakPolarHBondContact O-CD 3.43Å; I280-I291 HydrophobicContact CD1-CD1 3.74Å; I280-F311 HydrophobicContact CD1-CE2 4.15Å; I280-F311 HydrophobicContact CD1-CZ 4.25Å |
| 281 | A | 93.3 | Very high | 91.8 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 120.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N189 M252 P283 | N189-A281 WeakPolarHBondContact OD1-CA 3.28Å; M252-A281 WeakPolarHBondContact O-CB 3.13Å; M252-A281 PolarHBondContact O-N 3.4Å; A281-P283 VanDerWaalsContact C-CD 3.46Å |
| 282 | Q | 89.9 | Confident | 92.7 | Very high | 91 Ų | 91 | 28 Ų | 28 | 43% | 0.425 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 44.6 | 51 | 174.7 | -58.1 | -178.7 | -40.4 | 0 | 0 | 114.6 | N189 H284 R285 | N189-Q282 PolarHBondContact OD1-N 3.01Å; Q282-H284 PolarHBondContact O-N 2.78Å; Q282-R285 PolarHBondContact O-N 3.16Å; Q282-R285 PolarHBondContact O-NE 3.29Å; Q282-R285 VanDerWaalsContact O-NE 3.09Å |
| 283 | P | 91.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -73.7 | -11.6 | -174.9 | 33.2 | -37.9 | 0 | 0 | 0 | 112.9 | P190 I280 A281 R285 F286 L289 Y313 | P190-P283 HydrophobicContact CG-CG 3.75Å; I280-P283 HydrophobicContact CB-CB 4.43Å; I280-P283 HydrophobicContact CB-CG 4.23Å; I280-P283 HydrophobicContact CG2-CB 3.68Å; I280-P283 HydrophobicContact CG2-CG 4.01Å; I280-P283 WeakPolarHBondContact O-CD 3.43Å; A281-P283 VanDerWaalsContact C-CD 3.46Å; P283-R285 PolarHBondContact O-N 2.84Å; P283-R285 VanDerWaalsContact O-N 3.07Å; P283-F286 PolarHBondContact O-N 3.05Å; P283-F286 VanDerWaalsContact O-O 3.13Å; P283-L289 HydrophobicContact CB-CD1 4.09Å; P283-Y313 HydrophobicContact CB-CD1 4.37Å; P283-Y313 HydrophobicContact CB-CD2 4.36Å; P283-Y313 HydrophobicContact CB-CE1 3.79Å; P283-Y313 HydrophobicContact CB-CE2 3.71Å; P283-Y313 VanDerWaalsContact CB-CZ 3.43Å; P283-Y313 WeakPolarHBondContact CB-OH 3.12Å; P283-Y313 HydrophobicContact CG-CE2 3.66Å; P283-Y313 WeakPolarHBondContact O-CE1 3.26Å; P283-Y313 PolarHBondContact O-OH 2.86Å |
| 284 | H | 87.1 | Confident | 93.4 | Very high | 80 Ų | 80 | 28.5 Ų | 28.5 | 37% | 0.37 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -61.5 | -13.3 | 174.6 | 65.3 | -90.1 | 0 | 0 | 0 | 113.9 | Y120 Q282 Y313 N315 | Y120-H284 HydrophobicContact CD1-CB 4.23Å; Y120-H284 HydrophobicContact CE1-CB 4.03Å; Q282-H284 PolarHBondContact O-N 2.78Å; H284-Y313 PolarHBondContact N-OH 2.87Å; H284-N315 VanDerWaalsContact CA-ND2 3.34Å; H284-N315 WeakPolarHBondContact CA-ND2 3.49Å; H284-N315 PolarHBondContact O-ND2 3.28Å |
| 285 | R | 86.4 | Confident | 93.6 | Very high | 100 Ų | 100 | 28.6 Ų | 28.6 | 38% | 0.377 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -72.3 | -19.1 | 172.4 | -63.3 | 179.8 | -66.6 | 170 | -2.3 | 112.5 | E250 Q282 P283 | E250-R285 IonicContact OE1-CZ 3.23Å; E250-R285 IonicContact OE1-NH1 3.5Å; E250-R285 PolarHBondContact OE1-NH1 3.23Å; E250-R285 IonicContact OE1-NH2 3.47Å; E250-R285 PolarHBondContact OE1-NH2 2.97Å; E250-R285 IonicContact OE2-NH1 2.86Å; Q282-R285 PolarHBondContact O-N 3.16Å; Q282-R285 PolarHBondContact O-NE 3.29Å; Q282-R285 VanDerWaalsContact O-NE 3.09Å; P283-R285 PolarHBondContact O-N 2.84Å; P283-R285 VanDerWaalsContact O-N 3.07Å |
| 286 | F | 88.3 | Confident | 93.5 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | trans | -110.9 | 146.4 | -179.1 | -48.7 | -76.6 | 0 | 0 | 0 | 110.1 | D242 V244 P246 M252 P283 L289 N315 | D242-F286 VanDerWaalsContact OD2-C 3.3Å; D242-F286 WeakPolarHBondContact OD2-CA 3.25Å; D242-F286 WeakPolarHBondContact OD2-CB 3.5Å; V244-F286 WeakPolarHBondContact O-CE1 3.49Å; P246-F286 HydrophobicContact CG-CE1 4.48Å; P246-F286 HydrophobicContact CG-CZ 4.09Å; M252-F286 HydrophobicContact CE-CD2 4.33Å; M252-F286 HydrophobicContact CE-CE2 4.19Å; P283-F286 PolarHBondContact O-N 3.05Å; P283-F286 VanDerWaalsContact O-O 3.13Å; F286-L289 HydrophobicContact CB-CD1 4.03Å; F286-L289 HydrophobicContact CB-CD2 3.82Å; F286-L289 HydrophobicContact CB-CG 3.81Å; F286-L289 HydrophobicContact CD1-CD2 4.32Å; F286-L289 HydrophobicContact CD2-CD1 3.87Å; F286-L289 HydrophobicContact CD2-CD2 4.08Å; F286-L289 HydrophobicContact CD2-CG 4.36Å; F286-L289 HydrophobicContact CG-CD1 4.23Å; F286-L289 HydrophobicContact CG-CD2 3.81Å; F286-L289 HydrophobicContact CG-CG 4.23Å; F286-N315 WeakPolarHBondContact O-CB 3.36Å; F286-N315 PolarHBondContact O-ND2 3.35Å | ||
| 287 | S | 89.5 | Confident | 93.4 | Very high | 28 Ų | 28 | 29.5 Ų | 29.5 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -79.5 | -45.6 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | D242 N314 N315 | D242-S287 WeakPolarHBondContact OD1-CB 3.32Å; D242-S287 PolarHBondContact OD1-OG 3.13Å; D242-S287 PolarHBondContact OD2-N 2.98Å; D242-S287 PolarHBondContact OD2-OG 3.39Å; S287-N314 WeakPolarHBondContact O-CA 3.3Å; S287-N314 PolarHBondContact O-OD1 3.31Å; S287-N315 PolarHBondContact O-N 3.49Å |
| 288 | E | 91.5 | Very high | 93.2 | Very high | 82 Ų | 82 | 32.7 Ų | 32.7 | 38% | 0.383 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.5 | -177.9 | -169.4 | -173.7 | 146 | 0 | 0 | 110.9 | M240 G241 Y313 | M240-E288 WeakPolarHBondContact CA-O 3.43Å; G241-E288 PolarHBondContact N-O 3.12Å; E288-Y313 CarbonylContact C-O 3.57Å; E288-Y313 WeakPolarHBondContact CA-O 2.95Å |
| 289 | L | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125 | 177 | -61.8 | 165.2 | 0 | 0 | 0 | 109.7 | V237 M240 M252 P283 F286 I291 E312 Y313 | V237-L289 HydrophobicContact CG1-CD2 4.13Å; V237-L289 HydrophobicContact CG2-CD2 4.47Å; M240-L289 HydrophobicContact CB-CD2 4.15Å; M252-L289 HydrophobicContact CE-CD1 3.21Å; M252-L289 HydrophobicContact CE-CD2 3.92Å; M252-L289 HydrophobicContact CE-CG 4.13Å; P283-L289 HydrophobicContact CB-CD1 4.09Å; F286-L289 HydrophobicContact CB-CD1 4.03Å; F286-L289 HydrophobicContact CB-CD2 3.82Å; F286-L289 HydrophobicContact CB-CG 3.81Å; F286-L289 HydrophobicContact CD1-CD2 4.32Å; F286-L289 HydrophobicContact CD2-CD1 3.87Å; F286-L289 HydrophobicContact CD2-CD2 4.08Å; F286-L289 HydrophobicContact CD2-CG 4.36Å; F286-L289 HydrophobicContact CG-CD1 4.23Å; F286-L289 HydrophobicContact CG-CD2 3.81Å; F286-L289 HydrophobicContact CG-CG 4.23Å; L289-I291 HydrophobicContact CB-CD1 4.21Å; L289-I291 HydrophobicContact CB-CG1 4.11Å; L289-E312 CarbonylContact O-C 3.55Å; L289-E312 WeakPolarHBondContact O-CA 3.46Å; L289-Y313 HydrophobicContact CB-CD1 4.1Å; L289-Y313 HydrophobicContact CD1-CD1 3.67Å; L289-Y313 HydrophobicContact CD1-CE1 4.13Å; L289-Y313 HydrophobicContact CD1-CG 4.31Å; L289-Y313 HydrophobicContact CG-CD1 4.02Å; L289-Y313 PolarHBondContact N-O 3.03Å; L289-Y313 PolarHBondContact O-N 3.41Å |
| 290 | H | 94.3 | Very high | 93 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.8 | 168.9 | -173.9 | -138.5 | 0 | 0 | 0 | 109 | M238 R239 E310 | M238-H290 PolarHBondContact N-O 3.26Å; R239-H290 HydrophobicContact CB-CB 3.95Å; R239-H290 PolarHBondContact O-N 2.96Å; H290-E310 IonicContact CE1-OE2 3.5Å; H290-E310 PolarHBondContact CE1-OE2 3.14Å; H290-E310 VanDerWaalsContact CE1-OE2 3.26Å; H290-E310 IonicContact NE2-OE2 2.82Å |
| 291 | I | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132 | -170.4 | -60.6 | 165.6 | 0 | 0 | 0 | 109.1 | C235 S236 F253 I280 L289 E310 F311 | C235-I291 HydrophobicContact CB-CG2 4.4Å; S236-I291 WeakPolarHBondContact O-CA 3.21Å; F253-I291 HydrophobicContact CE1-CD1 4.09Å; F253-I291 HydrophobicContact CE1-CG1 4.39Å; F253-I291 HydrophobicContact CE1-CG2 3.85Å; F253-I291 HydrophobicContact CZ-CD1 4.28Å; F253-I291 HydrophobicContact CZ-CG1 4.14Å; F253-I291 HydrophobicContact CZ-CG2 3.77Å; I280-I291 HydrophobicContact CD1-CD1 3.74Å; L289-I291 HydrophobicContact CB-CD1 4.21Å; L289-I291 HydrophobicContact CB-CG1 4.11Å; I291-E310 WeakPolarHBondContact O-CA 3.42Å; I291-F311 HydrophobicContact CB-CD1 4.45Å; I291-F311 HydrophobicContact CB-CE1 4.01Å; I291-F311 HydrophobicContact CB-CE2 4.23Å; I291-F311 HydrophobicContact CB-CZ 3.9Å; I291-F311 HydrophobicContact CD1-CE2 3.85Å; I291-F311 HydrophobicContact CD1-CZ 3.95Å; I291-F311 HydrophobicContact CG2-CE1 3.77Å; I291-F311 HydrophobicContact CG2-CZ 3.79Å; I291-F311 PolarHBondContact N-O 2.77Å; I291-F311 PolarHBondContact O-N 2.9Å |
| 292 | R | 95.9 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 30% | 0.302 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.5 | 170.7 | -179.3 | -174.5 | -73.8 | 161.3 | -5 | 109.7 | C235 S236 M238 S308 I309 E310 | C235-R292 CarbonylContact C-O 3.6Å; C235-R292 VanDerWaalsContact CA-O 3.25Å; C235-R292 WeakPolarHBondContact CA-O 3.5Å; S236-R292 PolarHBondContact N-O 3.41Å; S236-R292 PolarHBondContact O-N 2.69Å; M238-R292 HydrophobicContact CG-CB 3.76Å; M238-R292 HydrophobicContact SD-CB 3.64Å; M238-R292 HydrophobicContact SD-CG 4.36Å; M238-R292 PolarHBondContact SD-NE 2.81Å; M238-R292 PolarHBondContact SD-NH2 2.97Å; M238-R292 VanDerWaalsContact SD-NH2 3.36Å; R292-S308 VanDerWaalsContact CG-OG 3.29Å; R292-S308 WeakPolarHBondContact CG-OG 3.5Å; R292-I309 WeakPolarHBondContact CA-O 3.35Å; R292-E310 HydrophobicContact CB-CG 3.94Å; R292-E310 HydrophobicContact CG-CG 3.87Å; R292-E310 IonicContact CZ-OE1 3.94Å; R292-E310 IonicContact NE-OE1 3.91Å; R292-E310 PolarHBondContact NE-OE1 3.24Å; R292-E310 IonicContact NH2-OE1 3.4Å; R292-E310 PolarHBondContact NH2-OE1 3.3Å |
| 293 | C | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137 | 169.8 | -65.9 | 0 | 0 | 0 | 0 | 110 | F194 I233 S234 C235 S308 I309 | F194-C293 HydrophobicContact CE1-CB 3.86Å; F194-C293 HydrophobicContact CE2-CB 4.33Å; F194-C293 HydrophobicContact CZ-CB 3.63Å; F194-C293 WeakPolarHBondContact CZ-SG 3.4Å; I233-C293 HydrophobicContact CD1-CB 4.39Å; S234-C293 CarbonylContact O-C 3.58Å; S234-C293 WeakPolarHBondContact O-CA 3.29Å; C235-C293 HydrophobicContact CB-CB 4.16Å; C235-C293 WeakPolarHBondContact CB-SG 3.4Å; C235-C293 WeakPolarHBondContact SG-CB 3.34Å; C235-C293 CovalentContact SG-SG 2.04Å; C235-C293 PolarHBondContact SG-SG 3.36Å; C293-S308 CarbonylContact O-C 3.58Å; C293-S308 WeakPolarHBondContact O-CA 3.46Å; C293-S308 PolarHBondContact O-OG 3.44Å; C293-I309 PolarHBondContact N-O 3.16Å; C293-I309 PolarHBondContact O-N 2.94Å |
| 294 | Q | 96.2 | Very high | 92.8 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.7 | -178 | 61.6 | -172.7 | -12.4 | 0 | 0 | 111.3 | I233 S234 H307 | I233-Q294 CarbonylContact C-O 3.52Å; I233-Q294 WeakPolarHBondContact CA-O 3.24Å; S234-Q294 PolarHBondContact N-O 2.95Å; S234-Q294 PolarHBondContact O-N 2.77Å; Q294-H307 VanDerWaalsContact CA-O 3.3Å; Q294-H307 WeakPolarHBondContact CA-O 3.4Å |
| 295 | I | 96 | Very high | 93 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 148.1 | 168.1 | 52.9 | 163.8 | 0 | 0 | 0 | 110 | L104 L196 I231 P232 I233 F261 I300 L303 H307 | L104-I295 HydrophobicContact CD1-CG2 4.03Å; L104-I295 HydrophobicContact CD2-CG2 4.43Å; L196-I295 HydrophobicContact CD1-CD1 3.81Å; I231-I295 HydrophobicContact CG2-CB 3.96Å; I231-I295 HydrophobicContact CG2-CG2 4.3Å; P232-I295 VanDerWaalsContact O-CA 3.31Å; P232-I295 WeakPolarHBondContact O-CA 3.49Å; I233-I295 HydrophobicContact CB-CG2 4.12Å; I233-I295 HydrophobicContact CG1-CG2 4.36Å; F261-I295 HydrophobicContact CD2-CG2 3.99Å; F261-I295 HydrophobicContact CE2-CG2 3.66Å; I295-I300 HydrophobicContact CD1-CD1 3.94Å; I295-I300 HydrophobicContact CG1-CD1 4Å; I295-L303 HydrophobicContact CD1-CD2 3.78Å; I295-H307 HydrophobicContact CD1-CB 4.21Å; I295-H307 HydrophobicContact CG1-CB 3.87Å; I295-H307 WeakPolarHBondContact CG1-O 3.42Å; I295-H307 PolarHBondContact N-O 2.62Å |
| 296 | A | 94.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | trans | -130.3 | 134.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F210 L214 P232 | F210-A296 HydrophobicContact CE1-CB 4.3Å; F210-A296 HydrophobicContact CZ-CB 3.85Å; L214-A296 HydrophobicContact CD1-CB 4.04Å; L214-A296 HydrophobicContact CD2-CB 4.09Å; P232-A296 WeakPolarHBondContact CD-O 3.43Å; P232-A296 HydrophobicContact CG-CB 4.22Å; P232-A296 WeakPolarHBondContact CG-O 3.29Å; P232-A296 PolarHBondContact O-N 3.34Å | ||
| 297 | A | 94.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | trans | -155.4 | 158 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | W202 P204 L206 F210 N299 I300 | W202-A297 HydrophobicContact CH2-CB 4.33Å; W202-A297 HydrophobicContact CZ2-CB 3.82Å; P204-A297 HydrophobicContact CB-CB 4.43Å; L206-A297 HydrophobicContact CD2-CB 4.28Å; F210-A297 VanDerWaalsContact CE1-CA 3.45Å; F210-A297 VanDerWaalsContact CZ-CA 3.48Å; A297-N299 PolarHBondContact O-N 3.36Å; A297-I300 HydrophobicContact CB-CB 4.34Å; A297-I300 WeakPolarHBondContact O-CB 3.36Å; A297-I300 WeakPolarHBondContact O-CG2 3.1Å; A297-I300 PolarHBondContact O-N 3.48Å; A297-I300 VanDerWaalsContact O-N 3.12Å | ||
| 298 | D | 94.4 | Very high | 93.9 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.7 | 179.6 | -83.2 | -46.3 | 0 | 0 | 0 | 111.8 | V205 S207 F210 | V205-D298 HydrophobicContact CB-CB 4.08Å; V205-D298 HydrophobicContact CG1-CB 3.97Å; V205-D298 WeakPolarHBondContact O-CB 3.31Å; V205-D298 PolarHBondContact O-N 3.11Å; S207-D298 WeakPolarHBondContact CB-OD2 3.46Å; S207-D298 PolarHBondContact OG-OD2 2.89Å; F210-D298 VanDerWaalsContact CB-OD1 3.3Å; F210-D298 WeakPolarHBondContact CB-OD1 3.43Å; F210-D298 WeakPolarHBondContact CB-OD2 3.31Å; F210-D298 WeakPolarHBondContact CD2-OD1 3.46Å; F210-D298 VanDerWaalsContact CG-OD1 3.31Å; F210-D298 WeakPolarHBondContact CG-OD1 3.4Å |
| 299 | N | 94.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 28.9 | 179.5 | 73 | -33.9 | 0 | 0 | 0 | 113.1 | W202 I203 V205 A297 R301 E302 | W202-N299 PolarHBondContact NE1-ND2 3.16Å; W202-N299 PolarHBondContact NE1-O 2.68Å; W202-N299 VanDerWaalsContact NE1-O 3.13Å; I203-N299 PolarHBondContact O-ND2 3.39Å; V205-N299 HydrophobicContact CB-CB 4.41Å; V205-N299 HydrophobicContact CG2-CB 4.25Å; V205-N299 PolarHBondContact N-OD1 2.73Å; A297-N299 PolarHBondContact O-N 3.36Å; N299-R301 PolarHBondContact O-N 2.95Å; N299-E302 HydrophobicContact CB-CG 4.33Å; N299-E302 PolarHBondContact ND2-OE2 3.05Å; N299-E302 WeakPolarHBondContact O-CB 3.49Å; N299-E302 PolarHBondContact O-N 3.23Å |
| 300 | I | 94.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 56 Ų | 56 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.6 | -28.1 | -177.2 | -169.1 | 58.2 | 0 | 0 | 0 | 113.7 | W202 I295 A297 E302 L303 H307 | W202-I300 HydrophobicContact CH2-CD1 4.19Å; W202-I300 HydrophobicContact CZ2-CD1 3.9Å; I295-I300 HydrophobicContact CD1-CD1 3.94Å; I295-I300 HydrophobicContact CG1-CD1 4Å; A297-I300 HydrophobicContact CB-CB 4.34Å; A297-I300 WeakPolarHBondContact O-CB 3.36Å; A297-I300 WeakPolarHBondContact O-CG2 3.1Å; A297-I300 PolarHBondContact O-N 3.48Å; A297-I300 VanDerWaalsContact O-N 3.12Å; I300-E302 PolarHBondContact O-N 3.06Å; I300-L303 HydrophobicContact CD1-CB 4.43Å; I300-L303 HydrophobicContact CD1-CD2 4.02Å; I300-L303 WeakPolarHBondContact O-CB 3.31Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-H307 HydrophobicContact CD1-CB 3.89Å; I300-H307 HydrophobicContact CG1-CB 4.02Å |
| 301 | R | 92.8 | Very high | 94.3 | Very high | 232 Ų | 232 | 55.6 Ų | 55.6 | 88% | 0.875 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.1 | 177.8 | -66.1 | -176.9 | -68.8 | -161.9 | -3.8 | 114.1 | N299 L303 | N299-R301 PolarHBondContact O-N 2.95Å; R301-L303 VanDerWaalsContact C-N 3.34Å |
| 302 | E | 92.9 | Very high | 94.3 | Very high | 136 Ų | 136 | 59.5 Ų | 59.5 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -84.3 | -11.1 | 177.2 | -63.5 | 173.8 | -174.4 | 0 | 0 | 112.4 | N299 I300 E304 | N299-E302 HydrophobicContact CB-CG 4.33Å; N299-E302 PolarHBondContact ND2-OE2 3.05Å; N299-E302 WeakPolarHBondContact O-CB 3.49Å; N299-E302 PolarHBondContact O-N 3.23Å; I300-E302 PolarHBondContact O-N 3.06Å; E302-E304 PolarHBondContact O-N 2.89Å |
| 303 | L | 90.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | trans | -70.9 | 116.3 | 177.1 | 177.5 | 59.2 | 0 | 0 | 0 | 110.5 | V199 W202 I295 I300 R301 G305 H307 | V199-L303 HydrophobicContact CB-CD1 3.8Å; V199-L303 HydrophobicContact CG1-CD1 3.92Å; W202-L303 HydrophobicContact CB-CD1 4.06Å; W202-L303 HydrophobicContact CD2-CB 4.04Å; W202-L303 HydrophobicContact CD2-CD1 3.94Å; W202-L303 HydrophobicContact CD2-CG 4.43Å; W202-L303 HydrophobicContact CE3-CD1 3.88Å; W202-L303 HydrophobicContact CG-CB 4.07Å; W202-L303 HydrophobicContact CG-CD1 4.07Å; W202-L303 HydrophobicContact CZ3-CD2 4.43Å; I295-L303 HydrophobicContact CD1-CD2 3.78Å; I300-L303 HydrophobicContact CD1-CB 4.43Å; I300-L303 HydrophobicContact CD1-CD2 4.02Å; I300-L303 WeakPolarHBondContact O-CB 3.31Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-L303 VanDerWaalsContact O-N 3.16Å; R301-L303 VanDerWaalsContact C-N 3.34Å; L303-G305 PolarHBondContact O-N 2.01Å; L303-H307 HydrophobicContact CD2-CB 4.17Å | ||
| 304 | E | 88.3 | Confident | 93.9 | Very high | 174 Ų | 174 | 58.6 Ų | 58.6 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -81.4 | 63.5 | 173.3 | -63.4 | -171.5 | 168.4 | 0 | 0 | 111.4 | S102 E302 | S102-E304 WeakPolarHBondContact CB-O 3.3Å; S102-E304 PolarHBondContact OG-O 2.97Å; E302-E304 PolarHBondContact O-N 2.89Å |
| 305 | G | 90.5 | Very high | 93.6 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -170.1 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S102 L303 H307 | S102-G305 WeakPolarHBondContact O-CA 3.49Å; S102-G305 WeakPolarHBondContact OG-CA 3.37Å; L303-G305 PolarHBondContact O-N 2.01Å; G305-H307 PolarHBondContact O-N 3.4Å |
| 306 | I | 93.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 124.8 | 174.3 | -61.8 | 177.6 | 0 | 0 | 0 | 108.1 | K100 S102 G103 L104 S308 I309 | K100-I306 HydrophobicContact CG-CD1 4.29Å; S102-I306 PolarHBondContact O-N 2.97Å; G103-I306 CarbonylContact C-O 3.48Å; G103-I306 WeakPolarHBondContact CA-O 3.14Å; L104-I306 HydrophobicContact CB-CG2 4.41Å; L104-I306 WeakPolarHBondContact CB-O 3.35Å; L104-I306 PolarHBondContact N-O 3.41Å; I306-S308 VanDerWaalsContact CG2-O 3.23Å; I306-S308 WeakPolarHBondContact CG2-O 3.22Å; I306-I309 HydrophobicContact CG2-CG1 3.89Å |
| 307 | H | 94.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | trans | -116.4 | -3.9 | 173.9 | 63.4 | 77.6 | 0 | 0 | 0 | 112.7 | Q294 I295 I300 L303 G305 | Q294-H307 VanDerWaalsContact CA-O 3.3Å; Q294-H307 WeakPolarHBondContact CA-O 3.4Å; I295-H307 HydrophobicContact CD1-CB 4.21Å; I295-H307 HydrophobicContact CG1-CB 3.87Å; I295-H307 WeakPolarHBondContact CG1-O 3.42Å; I295-H307 PolarHBondContact N-O 2.62Å; I300-H307 HydrophobicContact CD1-CB 3.89Å; I300-H307 HydrophobicContact CG1-CB 4.02Å; L303-H307 HydrophobicContact CD2-CB 4.17Å; G305-H307 PolarHBondContact O-N 3.4Å | ||
| 308 | S | 95.5 | Very high | 91.1 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.5 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | R292 C293 I306 | R292-S308 VanDerWaalsContact CG-OG 3.29Å; R292-S308 WeakPolarHBondContact CG-OG 3.5Å; C293-S308 CarbonylContact O-C 3.58Å; C293-S308 WeakPolarHBondContact O-CA 3.46Å; C293-S308 PolarHBondContact O-OG 3.44Å; I306-S308 VanDerWaalsContact CG2-O 3.23Å; I306-S308 WeakPolarHBondContact CG2-O 3.22Å |
| 309 | I | 95.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.7 | 175.6 | -65.9 | 179.2 | 0 | 0 | 0 | 107.9 | L104 M106 F194 R292 C293 I306 F311 | L104-I309 HydrophobicContact CB-CD1 4.3Å; L104-I309 HydrophobicContact CD2-CD1 4.18Å; L104-I309 HydrophobicContact CD2-CG1 4.1Å; L104-I309 HydrophobicContact CG-CD1 3.87Å; L104-I309 HydrophobicContact CG-CG1 4.26Å; M106-I309 HydrophobicContact CB-CD1 3.83Å; M106-I309 HydrophobicContact CB-CG2 4.29Å; M106-I309 HydrophobicContact SD-CG2 4.11Å; F194-I309 HydrophobicContact CD1-CD1 4.3Å; F194-I309 HydrophobicContact CE1-CB 4.24Å; F194-I309 HydrophobicContact CE1-CD1 4.1Å; F194-I309 HydrophobicContact CE1-CG2 4.47Å; R292-I309 WeakPolarHBondContact CA-O 3.35Å; C293-I309 PolarHBondContact N-O 3.16Å; C293-I309 PolarHBondContact O-N 2.94Å; I306-I309 HydrophobicContact CG2-CG1 3.89Å; I309-F311 HydrophobicContact CG2-CD1 4.47Å |
| 310 | E | 95.6 | Very high | 87.5 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135 | 172.1 | -70.3 | 177.4 | -156.1 | 0 | 0 | 108.5 | M238 H290 I291 R292 | M238-E310 HydrophobicContact SD-CG 4.11Å; H290-E310 IonicContact CE1-OE2 3.5Å; H290-E310 PolarHBondContact CE1-OE2 3.14Å; H290-E310 VanDerWaalsContact CE1-OE2 3.26Å; H290-E310 IonicContact NE2-OE2 2.82Å; I291-E310 WeakPolarHBondContact O-CA 3.42Å; R292-E310 HydrophobicContact CB-CG 3.94Å; R292-E310 HydrophobicContact CG-CG 3.87Å; R292-E310 IonicContact CZ-OE1 3.94Å; R292-E310 IonicContact NE-OE1 3.91Å; R292-E310 PolarHBondContact NE-OE1 3.24Å; R292-E310 IonicContact NH2-OE1 3.4Å; R292-E310 PolarHBondContact NH2-OE1 3.3Å |
| 311 | F | 95.9 | Very high | 85.1 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152 | 173.4 | 65.9 | -82.4 | 0 | 0 | 0 | 110.7 | M106 L110 L118 V192 F194 I280 I291 I309 | M106-F311 HydrophobicContact CE-CB 4.23Å; M106-F311 HydrophobicContact CE-CD1 4.04Å; M106-F311 HydrophobicContact CE-CD2 3.82Å; M106-F311 HydrophobicContact CE-CE1 4.35Å; M106-F311 HydrophobicContact CE-CE2 4.14Å; M106-F311 HydrophobicContact CE-CG 3.76Å; M106-F311 HydrophobicContact CE-CZ 4.39Å; M106-F311 HydrophobicContact SD-CB 4.13Å; M106-F311 HydrophobicContact SD-CD1 3.6Å; M106-F311 VanDerWaalsContact SD-CD1 3.6Å; M106-F311 HydrophobicContact SD-CD2 4.45Å; M106-F311 HydrophobicContact SD-CE1 4.08Å; M106-F311 HydrophobicContact SD-CG 3.81Å; L110-F311 HydrophobicContact CD1-CB 3.73Å; L110-F311 HydrophobicContact CD1-CD2 4.31Å; L110-F311 HydrophobicContact CD1-CG 4.35Å; L118-F311 HydrophobicContact CB-CD2 4.26Å; L118-F311 HydrophobicContact CD2-CD2 4.48Å; L118-F311 HydrophobicContact CD2-CE2 3.93Å; V192-F311 HydrophobicContact CG2-CZ 4.39Å; F194-F311 HydrophobicContact CZ-CE1 4.05Å; I280-F311 HydrophobicContact CD1-CE2 4.15Å; I280-F311 HydrophobicContact CD1-CZ 4.25Å; I291-F311 HydrophobicContact CB-CD1 4.45Å; I291-F311 HydrophobicContact CB-CE1 4.01Å; I291-F311 HydrophobicContact CB-CE2 4.23Å; I291-F311 HydrophobicContact CB-CZ 3.9Å; I291-F311 HydrophobicContact CD1-CE2 3.85Å; I291-F311 HydrophobicContact CD1-CZ 3.95Å; I291-F311 HydrophobicContact CG2-CE1 3.77Å; I291-F311 HydrophobicContact CG2-CZ 3.79Å; I291-F311 PolarHBondContact N-O 2.77Å; I291-F311 PolarHBondContact O-N 2.9Å; I309-F311 HydrophobicContact CG2-CD1 4.47Å |
| 312 | E | 94.7 | Very high | 82.9 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 38% | 0.383 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.4 | 174.1 | -68.5 | 175.3 | -177.6 | 0 | 0 | 109.4 | V117 L118 L289 | V117-E312 HydrophobicContact CB-CB 4.5Å; V117-E312 HydrophobicContact CG1-CB 3.92Å; V117-E312 VanDerWaalsContact CG1-O 3.29Å; V117-E312 WeakPolarHBondContact CG1-O 2.98Å; V117-E312 HydrophobicContact CG2-CB 4.14Å; L118-E312 PolarHBondContact N-O 2.78Å; L289-E312 CarbonylContact O-C 3.55Å; L289-E312 WeakPolarHBondContact O-CA 3.46Å |
| 313 | Y | 94.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.4 | 165.7 | 161.8 | -80.5 | 0 | 0 | 0 | 108.4 | L118 Y120 P283 H284 E288 L289 N315 | L118-Y313 HydrophobicContact CD2-CD2 4.22Å; L118-Y313 HydrophobicContact CG-CD2 4.37Å; L118-Y313 CarbonylContact O-C 3.6Å; L118-Y313 VanDerWaalsContact O-CA 3.29Å; L118-Y313 WeakPolarHBondContact O-CA 3.28Å; Y120-Y313 VanDerWaalsContact CB-CE2 3.43Å; Y120-Y313 HydrophobicContact CG-CE2 4.41Å; P283-Y313 HydrophobicContact CB-CD1 4.37Å; P283-Y313 HydrophobicContact CB-CD2 4.36Å; P283-Y313 HydrophobicContact CB-CE1 3.79Å; P283-Y313 HydrophobicContact CB-CE2 3.71Å; P283-Y313 VanDerWaalsContact CB-CZ 3.43Å; P283-Y313 WeakPolarHBondContact CB-OH 3.12Å; P283-Y313 HydrophobicContact CG-CE2 3.66Å; P283-Y313 WeakPolarHBondContact O-CE1 3.26Å; P283-Y313 PolarHBondContact O-OH 2.86Å; H284-Y313 PolarHBondContact N-OH 2.87Å; E288-Y313 CarbonylContact C-O 3.57Å; E288-Y313 WeakPolarHBondContact CA-O 2.95Å; L289-Y313 HydrophobicContact CB-CD1 4.1Å; L289-Y313 HydrophobicContact CD1-CD1 3.67Å; L289-Y313 HydrophobicContact CD1-CE1 4.13Å; L289-Y313 HydrophobicContact CD1-CG 4.31Å; L289-Y313 HydrophobicContact CG-CD1 4.02Å; L289-Y313 PolarHBondContact N-O 3.03Å; L289-Y313 PolarHBondContact O-N 3.41Å; Y313-N315 HydrophobicContact CE1-CB 3.83Å |
| 314 | N | 91.9 | Very high | 78.1 | Confident | 60 Ų | 60 | 85 Ų | 85 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.7 | 176.8 | -172.2 | -11.5 | 0 | 0 | 0 | 110.2 | V117 L118 V119 Y120 S287 | V117-N314 HydrophobicContact CG1-CB 3.53Å; L118-N314 PolarHBondContact O-N 2.82Å; V119-N314 WeakPolarHBondContact CA-O 3.39Å; Y120-N314 PolarHBondContact N-O 3.4Å; Y120-N314 VanDerWaalsContact N-O 3.11Å; S287-N314 WeakPolarHBondContact O-CA 3.3Å; S287-N314 PolarHBondContact O-OD1 3.31Å |
| 315 | N | 89.8 | Confident | 76.1 | Confident | 5 Ų | 5 | 81.7 Ų | 81.7 | 3% | 0.027 | 43% | 0.426 | C | S | . | . | trans | -118.1 | 93.7 | 172.3 | 177.4 | 25.4 | 0 | 0 | 0 | 108.2 | Y120 H121 H284 F286 S287 Y313 Q317 | Y120-N315 WeakPolarHBondContact O-CA 3.31Å; Y120-N315 PolarHBondContact O-OD1 2.69Å; H121-N315 PolarHBondContact CD2-OD1 2.03Å; H284-N315 VanDerWaalsContact CA-ND2 3.34Å; H284-N315 WeakPolarHBondContact CA-ND2 3.49Å; H284-N315 PolarHBondContact O-ND2 3.28Å; F286-N315 WeakPolarHBondContact O-CB 3.36Å; F286-N315 PolarHBondContact O-ND2 3.35Å; S287-N315 PolarHBondContact O-N 3.49Å; Y313-N315 HydrophobicContact CE1-CB 3.83Å; N315-Q317 PolarHBondContact ND2-NE2 2.86Å; N315-Q317 PolarHBondContact O-N 3.27Å; N315-Q317 PolarHBondContact O-NE2 2.7Å | ||
| 316 | P | 85.1 | Confident | 74.2 | Confident | 30 Ų | 30 | 88 Ų | 88 | 20% | 0.195 | 46% | 0.461 | C | S | . | . | trans | -57 | 106.3 | -178.1 | -26.3 | 35 | 0 | 0 | 0 | 110.7 | V119 H121 Y126 | V119-P316 HydrophobicContact CG1-CG 3.95Å; H121-P316 PolarHBondContact CD2-O 3.04Å; H121-P316 PolarHBondContact NE2-O 2.97Å; Y126-P316 HydrophobicContact CE1-CB 4.26Å; Y126-P316 HydrophobicContact CE1-CG 3.89Å; Y126-P316 HydrophobicContact CE2-CB 4.48Å; Y126-P316 VanDerWaalsContact OH-CB 3.25Å; Y126-P316 WeakPolarHBondContact OH-CB 3.25Å | ||
| 317 | Q | 78.4 | Confident | 72.6 | Confident | 102 Ų | 102 | 95 Ų | 95 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 145.2 | 174.3 | -61.7 | -61 | -43.5 | 0 | 0 | 109 | N315 D319 | N315-Q317 PolarHBondContact ND2-NE2 2.86Å; N315-Q317 PolarHBondContact O-N 3.27Å; N315-Q317 PolarHBondContact O-NE2 2.7Å; Q317-D319 PolarHBondContact O-N 2.91Å |
| 318 | P | 68.6 | Low | 71.5 | Confident | 96 Ų | 96 | 95.7 Ų | 95.7 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 127.6 | 168.9 | 22.3 | -30.4 | 0 | 0 | 0 | 108.7 | V320 | P318-V320 PolarHBondContact O-N 3.49Š|
| 319 | D | 59.3 | Low | 70.2 | Confident | 132 Ų | 132 | 99 Ų | 99 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 118.4 | 178.2 | -80.4 | -46.2 | 0 | 0 | 0 | 109.2 | Q317 Q321 E322 | Q317-D319 PolarHBondContact O-N 2.91Å; D319-Q321 PolarHBondContact O-N 2.98Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.07Å |
| 320 | V | 54.5 | Low | 68.8 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -56.2 | -17 | 172.8 | 178 | 0 | 0 | 0 | 0 | 110.8 | P318 E322 K323 | P318-V320 PolarHBondContact O-N 3.49Å; V320-E322 PolarHBondContact O-N 3.39Å; V320-K323 PolarHBondContact O-N 3.05Å |
| 321 | Q | 44.5 | Very low | 67.2 | Low | 162 Ų | 162 | 103.6 Ų | 103.6 | 76% | 0.757 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -71.3 | -17.6 | 177 | -65.3 | -166.3 | 9.6 | 0 | 0 | 115.3 | D319 K323 | D319-Q321 PolarHBondContact O-N 2.98Å; Q321-K323 PolarHBondContact O-N 3.17Å |
| 322 | E | 45.3 | Very low | 65.4 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -81 | -3.4 | 175.9 | -148.2 | 172.2 | -162.4 | 0 | 0 | 113 | D319 V320 | D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.07Å; V320-E322 PolarHBondContact O-N 3.39Å |
| 323 | K | 39.8 | Very low | 63.5 | Low | 186 Ų | 186 | 111.2 Ų | 111.2 | 81% | 0.809 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -103.7 | 42.8 | 168.9 | -68.3 | -174.2 | -177.1 | 176.3 | 0 | 112.6 | V320 Q321 P325 | V320-K323 PolarHBondContact O-N 3.05Å; Q321-K323 PolarHBondContact O-N 3.17Å; K323-P325 VanDerWaalsContact O-CD 3.27Å; K323-P325 WeakPolarHBondContact O-CD 3.22Å |
| 324 | I | 43.1 | Very low | 61.3 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 66% | 0.662 | 64% | 0.643 | S | S | * | * | trans | -90.3 | 103.9 | 153.4 | -56.8 | 175 | 0 | 0 | 0 | 105.5 | V326 | I324-V326 PolarHBondContact O-N 3.44Š| ||
| 325 | P | 47.5 | Very low | 59 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | -58.8 | 119.5 | 170.5 | 24.9 | -30.3 | 0 | 0 | 0 | 107 | K323 V327 | K323-P325 VanDerWaalsContact O-CD 3.27Å; K323-P325 WeakPolarHBondContact O-CD 3.22Å; P325-V327 PolarHBondContact O-N 3.34Å | ||
| 326 | V | 50.9 | Low | 56.4 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -56.8 | 110.7 | 163.3 | -180 | 0 | 0 | 0 | 0 | 105.5 | I324 | I324-V326 PolarHBondContact O-N 3.44Š| ||
| 327 | V | 59.8 | Low | 53.8 | Low | 200 Ų | 200 | 143 Ų | 143 | 100% | 1.212 | 77% | 0.77 | S | S | * | * | trans | -65.4 | 0 | 176.4 | 175 | 0 | 0 | 0 | 0 | 110.1 | P325 | P325-V327 PolarHBondContact O-N 3.34Š|
Retrieved 327 of 327 residues in 89.7 ms
(Link to these results)