| 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 | 42.2 | Very low | 38 | Very low | 243 Ų | 243 | 149.4 Ų | 149.4 | 100% | 1.197 | 87% | 0.868 | S | S | * | * | 0 | 99.3 | 0 | -161.4 | 170.2 | -178.5 | 0 | 0 | 106.8 | |||||
| 2 | I | 36.3 | Very low | 38.2 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | -95.8 | 120.9 | -170.7 | -63.7 | 166.7 | 0 | 0 | 0 | 106.9 | ||||
| 3 | M | 35 | Very low | 38.1 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -105.3 | 110.9 | 168.2 | -87.8 | 178.2 | 69.3 | 0 | 0 | 108.9 | ||||
| 4 | A | 35.4 | Very low | 37.9 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -80.1 | 134.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | A | 40.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 155.1 Ų | 155.1 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | trans | -120.4 | 109.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | V | 39.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | trans | -82.9 | 120.5 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 108.3 | R8 | V6-R8 HydrophobicContact CG1-CG 4.24Š| ||
| 7 | S | 38.6 | Very low | 38.3 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 84% | 0.839 | 85% | 0.85 | S | S | * | * | trans | -106 | 117.1 | 168.6 | 179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | R | 37.8 | Very low | 38.4 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 116.8 | 177.4 | -72.1 | -180 | 168.7 | -177.3 | -3.6 | 109.2 | V6 | V6-R8 HydrophobicContact CG1-CG 4.24Š|
| 9 | G | 37.4 | Very low | 38.4 | Very low | 81 Ų | 81 | 149.7 Ų | 149.7 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 10 | F | 36.6 | Very low | 38.2 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.2 | 174.5 | -99.2 | -106.3 | 0 | 0 | 0 | 111 | ||
| 11 | A | 38.8 | Very low | 38.3 | Very low | 90 Ų | 90 | 152.7 Ų | 152.7 | 74% | 0.744 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 12 | A | 39.8 | Very low | 38.5 | Very low | 83 Ų | 83 | 146 Ų | 146 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | -92 | 107.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | L | 37.9 | Very low | 38.7 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 127.2 | 162.7 | -92.1 | 101.6 | 0 | 0 | 0 | 109.3 | ||||
| 14 | W | 35.2 | Very low | 38.7 | Very low | 235 Ų | 235 | 145.6 Ų | 145.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -105.7 | 111 | 161.9 | -69.3 | 91.5 | 0 | 0 | 0 | 109.2 | ||||
| 15 | R | 33.7 | Very low | 39.2 | Very low | 217 Ų | 217 | 146 Ų | 146 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -93.8 | 133.8 | 161.6 | -81.8 | -177.3 | -169.2 | -126.4 | 0.7 | 108.1 | ||||
| 16 | T | 49.8 | Very low | 39.3 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -128 | 119.3 | 155 | 52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 17 | N | 35.9 | Very low | 39.5 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 136.1 | 168.4 | -90.4 | -20.6 | 0 | 0 | 0 | 109.8 | ||||
| 18 | G | 40.1 | Very low | 39.8 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -143.8 | 125.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | V | 40 | Very low | 39.7 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -66.3 | 141 | -166.1 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 20 | R | 33.2 | Very low | 39.8 | Very low | 239 Ų | 239 | 150.2 Ų | 150.2 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -76.3 | 133.2 | 172.6 | -72 | 177.1 | 173.9 | -176.7 | -3 | 110.9 | ||||
| 21 | V | 41.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -118.7 | 128 | 161.6 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 22 | P | 45.4 | Very low | 40.6 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -93.5 | 135.1 | 175.6 | 34.1 | -27 | 0 | 0 | 0 | 110.4 | ||||
| 23 | L | 40 | Very low | 40.7 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -136 | 124.2 | 158 | -100.5 | 139.3 | 0 | 0 | 0 | 108.5 | ||||
| 24 | H | 35 | Very low | 40.9 | Very low | 175 Ų | 175 | 151 Ų | 151 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 170.3 | -174.6 | -89.3 | -67.3 | 0 | 0 | 0 | 112.5 | ||||
| 25 | P | 46.6 | Very low | 41.6 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | trans | -91.2 | 151.1 | -140.3 | 36.4 | -34.1 | 0 | 0 | 0 | 113.1 | ||||
| 26 | L | 42.5 | Very low | 42.2 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -109.1 | 109.2 | 156.9 | -70.9 | 176.8 | 0 | 0 | 0 | 108.5 | S28 | L26-S28 PolarHBondContact O-N 2.8Š| ||
| 27 | L | 44.2 | Very low | 42.5 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -58.8 | 115.1 | 162.2 | -70.8 | 162.6 | 0 | 0 | 0 | 108.1 | ||||
| 28 | S | 43.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -113.9 | 122.8 | 153.9 | 74.6 | 0 | 0 | 0 | 0 | 108.8 | L26 | L26-S28 PolarHBondContact O-N 2.8Š| ||
| 29 | L | 36.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -49 | 140.4 | -179.4 | -70.3 | 98.6 | 0 | 0 | 0 | 113.4 | ||||
| 30 | C | 40.1 | Very low | 45.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 24.7 | 114.7 | 143.7 | -59.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 31 | A | 42.3 | Very low | 46.8 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | -148.2 | 101.9 | 109.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R33 | A31-R33 PolarHBondContact O-N 2.78Š| |||
| 32 | A | 49.4 | Very low | 48.4 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -58.3 | 98.3 | 150 | 0 | 0 | 0 | 0 | 0 | 105 | T34 | A32-T34 VanDerWaalsContact C-N 3.32Å; A32-T34 PolarHBondContact O-N 2.92Å | ||
| 33 | R | 40.4 | Very low | 50 | Low | 234 Ų | 234 | 134.4 Ų | 134.4 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 105 | 172.6 | -150 | 178.3 | -152 | -175.1 | 5.5 | 104.6 | A31 Q35 | A31-R33 PolarHBondContact O-N 2.78Å; R33-Q35 PolarHBondContact O-N 3.43Å; R33-Q35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | T | 43.8 | Very low | 52.1 | Low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -37.3 | 122.4 | 164.7 | -41 | 0 | 0 | 0 | 0 | 106.6 | A32 S36 | A32-T34 VanDerWaalsContact C-N 3.32Å; A32-T34 PolarHBondContact O-N 2.92Å; T34-S36 PolarHBondContact O-N 2.84Å | ||
| 35 | Q | 50 | Low | 54.4 | Low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -58.6 | 92.3 | 170 | -71.9 | -176.3 | -6.2 | 0 | 0 | 106 | R33 S37 | R33-Q35 PolarHBondContact O-N 3.43Å; R33-Q35 VanDerWaalsContact O-N 3.14Å; Q35-S37 PolarHBondContact O-N 2.88Å; Q35-S37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | S | 46 | Very low | 56.4 | Low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -68.2 | 112.3 | 172 | 59.3 | 0 | 0 | 0 | 0 | 104.1 | T34 V38 | T34-S36 PolarHBondContact O-N 2.84Å; S36-V38 PolarHBondContact O-N 3.05Å | ||
| 37 | S | 54.9 | Low | 58.5 | Low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -63.4 | 60.1 | 165.7 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | Q35 S39 | Q35-S37 PolarHBondContact O-N 2.88Å; Q35-S37 VanDerWaalsContact O-N 3.1Å; S37-S39 PolarHBondContact O-N 3.16Å | ||
| 38 | V | 50.6 | Low | 60.4 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | trans | -83 | 102.8 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 104.7 | S36 G40 | S36-V38 PolarHBondContact O-N 3.05Å; V38-G40 PolarHBondContact O-N 3.35Å | ||
| 39 | S | 58.7 | Low | 62.4 | Low | 131 Ų | 131 | 124.8 Ų | 124.8 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | -66.9 | 81.4 | 165.7 | -57 | 0 | 0 | 0 | 0 | 107.1 | S37 | S37-S39 PolarHBondContact O-N 3.16Š| ||
| 40 | G | 64 | Low | 64.7 | Low | 44 Ų | 44 | 120.3 Ų | 120.3 | 45% | 0.454 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -161.5 | 158.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V38 L42 | V38-G40 PolarHBondContact O-N 3.35Å; G40-L42 PolarHBondContact O-N 2.66Å |
| 41 | D | 66.1 | Low | 67 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | trans | -51.4 | 128.6 | -177.5 | -69.3 | -22.8 | 0 | 0 | 0 | 110.8 | L43 R45 | D41-L43 PolarHBondContact O-N 2.76Å; D41-L43 VanDerWaalsContact O-N 3.08Å; D41-R45 IonicContact OD2-CZ 3.84Å; D41-R45 IonicContact OD2-NE 3.16Å; D41-R45 PolarHBondContact OD2-NE 2.72Å; D41-R45 VanDerWaalsContact OD2-NE 3.16Å; D41-R45 IonicContact OD2-NH2 2.74Å; D41-R45 PolarHBondContact OD2-NH2 2.63Å | ||
| 42 | L | 76.2 | Confident | 69.2 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 92% | 0.916 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -64.5 | -13.9 | -175.5 | -67.2 | 173.1 | 0 | 0 | 0 | 113.6 | G40 | G40-L42 PolarHBondContact O-N 2.66Š|
| 43 | L | 78.8 | Confident | 71 | Confident | 121 Ų | 121 | 122.6 Ų | 122.6 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -129.8 | 145.2 | -176.8 | -64.5 | 175.5 | 0 | 0 | 0 | 110.7 | D41 R45 | D41-L43 PolarHBondContact O-N 2.76Å; D41-L43 VanDerWaalsContact O-N 3.08Å; L43-R45 PolarHBondContact O-N 3.32Å |
| 44 | P | 84.4 | Confident | 73.2 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | -63.9 | 137.2 | 173.9 | 27.9 | -33.6 | 0 | 0 | 0 | 110 | T46 S49 | P44-T46 PolarHBondContact O-N 2.72Å; P44-T46 VanDerWaalsContact O-N 3.1Å; P44-S49 WeakPolarHBondContact O-CB 3.27Å | ||
| 45 | R | 83.1 | Confident | 75.1 | Confident | 211 Ų | 211 | 117.1 Ų | 117.1 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | trans | -66.3 | 112.2 | 175.8 | -71.5 | -170.5 | 179.2 | -160.9 | -2.5 | 110.2 | D41 L43 S49 | D41-R45 IonicContact OD2-CZ 3.84Å; D41-R45 IonicContact OD2-NE 3.16Å; D41-R45 PolarHBondContact OD2-NE 2.72Å; D41-R45 VanDerWaalsContact OD2-NE 3.16Å; D41-R45 IonicContact OD2-NH2 2.74Å; D41-R45 PolarHBondContact OD2-NH2 2.63Å; L43-R45 PolarHBondContact O-N 3.32Å; R45-S49 WeakPolarHBondContact CA-OG 3.38Å | ||
| 46 | T | 87.7 | Confident | 76.4 | Confident | 80 Ų | 80 | 116.6 Ų | 116.6 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | trans | -127.9 | 170.9 | 173.7 | 69.8 | 0 | 0 | 0 | 0 | 109.9 | P44 L48 S49 | P44-T46 PolarHBondContact O-N 2.72Å; P44-T46 VanDerWaalsContact O-N 3.1Å; T46-L48 PolarHBondContact O-N 2.83Å; T46-L48 PolarHBondContact OG1-N 2.79Å; T46-S49 PolarHBondContact N-OG 2.8Å; T46-S49 PolarHBondContact O-N 2.84Å; T46-S49 PolarHBondContact O-OG 3.06Å; T46-S49 WeakPolarHBondContact OG1-CB 3.35Å; T46-S49 PolarHBondContact OG1-N 2.9Å | ||
| 47 | S | 86.4 | Confident | 77.8 | Confident | 118 Ų | 118 | 116.4 Ų | 116.4 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -17.3 | 177.7 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 48 | L | 84.9 | Confident | 78.6 | Confident | 156 Ų | 156 | 115.2 Ų | 115.2 | 82% | 0.817 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 2.8 | 178.5 | -58.1 | 179.2 | 0 | 0 | 0 | 113.2 | T46 S50 | T46-L48 PolarHBondContact O-N 2.83Å; T46-L48 PolarHBondContact OG1-N 2.79Å; L48-S50 VanDerWaalsContact C-N 3.33Å |
| 49 | S | 85.8 | Confident | 79.4 | Confident | 42 Ų | 42 | 118.7 Ų | 118.7 | 29% | 0.294 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -25.1 | -176.3 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | P44 R45 T46 | P44-S49 WeakPolarHBondContact O-CB 3.27Å; R45-S49 WeakPolarHBondContact CA-OG 3.38Å; T46-S49 PolarHBondContact N-OG 2.8Å; T46-S49 PolarHBondContact O-N 2.84Å; T46-S49 PolarHBondContact O-OG 3.06Å; T46-S49 WeakPolarHBondContact OG1-CB 3.35Å; T46-S49 PolarHBondContact OG1-N 2.9Å |
| 50 | S | 84.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 114.6 Ų | 114.6 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -131.2 | 153.1 | 173.2 | 61.5 | 0 | 0 | 0 | 0 | 108.3 | L48 | L48-S50 VanDerWaalsContact C-N 3.33Š|
| 51 | P | 89.2 | Confident | 81.8 | Confident | 43 Ų | 43 | 115.2 Ų | 115.2 | 28% | 0.279 | 63% | 0.625 | S | S | . | * | trans | -55.6 | 153.2 | 170.6 | 22.5 | -31.4 | 0 | 0 | 0 | 111 | W53 | P51-W53 HydrophobicContact CB-CD2 3.62Å; P51-W53 HydrophobicContact CB-CE3 4.01Å; P51-W53 HydrophobicContact CB-CG 4.16Å; P51-W53 HydrophobicContact CB-CH2 3.85Å; P51-W53 HydrophobicContact CB-CZ2 3.44Å; P51-W53 VanDerWaalsContact CB-CZ2 3.44Å; P51-W53 HydrophobicContact CB-CZ3 4.11Å; P51-W53 HydrophobicContact CG-CD2 4.43Å; P51-W53 HydrophobicContact CG-CZ2 4.19Å; P51-W53 PolarHBondContact O-N 2.84Å | ||
| 52 | P | 87.9 | Confident | 83 | Confident | 129 Ų | 129 | 112.6 Ų | 112.6 | 84% | 0.838 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -69.6 | -11 | 179.6 | 29 | -35.2 | 0 | 0 | 0 | 113.1 | ||
| 53 | W | 87.6 | Confident | 83.8 | Confident | 186 Ų | 186 | 111.4 Ų | 111.4 | 71% | 0.705 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -93.6 | 149.2 | 173.3 | 56.5 | 83.7 | 0 | 0 | 0 | 111.3 | P51 E55 | P51-W53 HydrophobicContact CB-CD2 3.62Å; P51-W53 HydrophobicContact CB-CE3 4.01Å; P51-W53 HydrophobicContact CB-CG 4.16Å; P51-W53 HydrophobicContact CB-CH2 3.85Å; P51-W53 HydrophobicContact CB-CZ2 3.44Å; P51-W53 VanDerWaalsContact CB-CZ2 3.44Å; P51-W53 HydrophobicContact CB-CZ3 4.11Å; P51-W53 HydrophobicContact CG-CD2 4.43Å; P51-W53 HydrophobicContact CG-CZ2 4.19Å; P51-W53 PolarHBondContact O-N 2.84Å; W53-E55 PolarHBondContact O-N 2.64Å |
| 54 | S | 87.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 110.4 Ų | 110.4 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | trans | -62.6 | 133.4 | 175.1 | 57 | 0 | 0 | 0 | 0 | 110.8 | Q56 | S54-Q56 PolarHBondContact O-N 3.34Å; S54-Q56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | E | 82.5 | Confident | 84.9 | Confident | 153 Ų | 153 | 109.1 Ų | 109.1 | 72% | 0.715 | 59% | 0.585 | S | S | * | * | trans | -64.4 | 113.2 | 167.8 | -74.9 | 178.9 | 178.2 | 0 | 0 | 109.5 | W53 | W53-E55 PolarHBondContact O-N 2.64Š| ||
| 56 | Q | 78.4 | Confident | 85.4 | Confident | 178 Ų | 178 | 107.7 Ų | 107.7 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -91.7 | 99.1 | 174.4 | -77.2 | 169.9 | -15.1 | 0 | 0 | 108.5 | S54 S58 | S54-Q56 PolarHBondContact O-N 3.34Å; S54-Q56 VanDerWaalsContact O-N 3.13Å; Q56-S58 PolarHBondContact O-N 2.78Å | ||
| 57 | T | 73.9 | Confident | 85.8 | Confident | 84 Ų | 84 | 107.8 Ų | 107.8 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | trans | -82.7 | 113.6 | 168.2 | -51.5 | 0 | 0 | 0 | 0 | 108.1 | F59 | T57-F59 VanDerWaalsContact CB-CZ 3.47Å; T57-F59 HydrophobicContact CG2-CD1 3.82Å; T57-F59 HydrophobicContact CG2-CD2 4.42Å; T57-F59 HydrophobicContact CG2-CE1 3.51Å; T57-F59 HydrophobicContact CG2-CE2 4.16Å; T57-F59 HydrophobicContact CG2-CG 4.27Å; T57-F59 HydrophobicContact CG2-CZ 3.71Å; T57-F59 WeakPolarHBondContact O-CD2 3.42Å; T57-F59 WeakPolarHBondContact O-CE2 2.97Å; T57-F59 PolarHBondContact O-N 2.95Å | ||
| 58 | S | 71.9 | Confident | 86.2 | Confident | 97 Ų | 97 | 108.5 Ų | 108.5 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | trans | -70.9 | 93 | 170.2 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | Q56 V60 | Q56-S58 PolarHBondContact O-N 2.78Å; S58-V60 PolarHBondContact O-N 2.83Å | ||
| 59 | F | 67.9 | Low | 86.7 | Confident | 179 Ų | 179 | 107 Ų | 107 | 79% | 0.785 | 56% | 0.557 | S | S | * | * | trans | -76.9 | -0.2 | -179.5 | -63.9 | -76.1 | 0 | 0 | 0 | 114 | T57 | T57-F59 VanDerWaalsContact CB-CZ 3.47Å; T57-F59 HydrophobicContact CG2-CD1 3.82Å; T57-F59 HydrophobicContact CG2-CD2 4.42Å; T57-F59 HydrophobicContact CG2-CE1 3.51Å; T57-F59 HydrophobicContact CG2-CE2 4.16Å; T57-F59 HydrophobicContact CG2-CG 4.27Å; T57-F59 HydrophobicContact CG2-CZ 3.71Å; T57-F59 WeakPolarHBondContact O-CD2 3.42Å; T57-F59 WeakPolarHBondContact O-CE2 2.97Å; T57-F59 PolarHBondContact O-N 2.95Å | ||
| 60 | V | 83.8 | Confident | 87.1 | Confident | 45 Ų | 45 | 107.9 Ų | 107.9 | 27% | 0.273 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -85.8 | 127.8 | -176.9 | -170.2 | 0 | 0 | 0 | 0 | 109 | S58 E64 E65 | S58-V60 PolarHBondContact O-N 2.83Å; V60-E64 HydrophobicContact CG1-CB 3.66Å; V60-E65 HydrophobicContact CB-CG 3.98Å; V60-E65 HydrophobicContact CG1-CG 3.55Å |
| 61 | S | 89.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | trans | -61.9 | 142.4 | 172 | 175.6 | 0 | 0 | 0 | 0 | 110 | E63 E64 E65 | S61-E63 PolarHBondContact O-N 2.84Å; S61-E64 WeakPolarHBondContact O-CB 3.44Å; S61-E64 PolarHBondContact O-N 2.91Å; S61-E65 PolarHBondContact O-N 2.81Å; S61-E65 VanDerWaalsContact O-N 3.13Å | ||
| 62 | A | 91.1 | Very high | 88 | Confident | 54 Ų | 54 | 109.2 Ų | 109.2 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -55.8 | -26.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R66 | A62-R66 VanDerWaalsContact O-CG 3.27Å; A62-R66 WeakPolarHBondContact O-CG 3.43Å; A62-R66 PolarHBondContact O-N 2.79Å; A62-R66 VanDerWaalsContact O-N 3.1Å |
| 63 | E | 93.2 | Very high | 88.4 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.5 | -42.5 | 176.3 | -64.8 | 177 | 175.1 | 0 | 0 | 112.1 | S61 R66 S67 | S61-E63 PolarHBondContact O-N 2.84Å; E63-R66 PolarHBondContact O-N 2.84Å; E63-S67 PolarHBondContact O-N 3.49Å |
| 64 | E | 93.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 175.9 | -67.9 | -179.6 | -161.4 | 0 | 0 | 111.1 | V60 S61 S67 R68 | V60-E64 HydrophobicContact CG1-CB 3.66Å; S61-E64 WeakPolarHBondContact O-CB 3.44Å; S61-E64 PolarHBondContact O-N 2.91Å; E64-S67 PolarHBondContact O-N 2.76Å; E64-R68 VanDerWaalsContact O-CG 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.48Å; E64-R68 PolarHBondContact O-N 3.36Å; E64-R68 IonicContact OE2-NH2 3.6Å; E64-R68 PolarHBondContact OE2-NH2 3.46Å; E64-R68 VanDerWaalsContact OE2-NH2 3.07Å |
| 65 | E | 92.6 | Very high | 89.2 | Confident | 74 Ų | 74 | 98.9 Ų | 98.9 | 35% | 0.346 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175 | -65.2 | -174.2 | 162.8 | 0 | 0 | 111.6 | V60 S61 S67 R68 H69 | V60-E65 HydrophobicContact CB-CG 3.98Å; V60-E65 HydrophobicContact CG1-CG 3.55Å; S61-E65 PolarHBondContact O-N 2.81Å; S61-E65 VanDerWaalsContact O-N 3.13Å; E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.4Å; E65-R68 PolarHBondContact O-N 3.46Å; E65-H69 WeakPolarHBondContact O-CB 3.37Å; E65-H69 PolarHBondContact O-CD2 2.71Å; E65-H69 PolarHBondContact O-N 2.83Å |
| 66 | R | 93.7 | Very high | 89.8 | Confident | 182 Ų | 182 | 92.7 Ų | 92.7 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 175.9 | -75 | 174.3 | -166.6 | 178.1 | 5.4 | 111.8 | A62 E63 H69 A70 | A62-R66 VanDerWaalsContact O-CG 3.27Å; A62-R66 WeakPolarHBondContact O-CG 3.43Å; A62-R66 PolarHBondContact O-N 2.79Å; A62-R66 VanDerWaalsContact O-N 3.1Å; E63-R66 PolarHBondContact O-N 2.84Å; R66-H69 PolarHBondContact O-N 2.85Å; R66-A70 WeakPolarHBondContact O-CB 3.44Å; R66-A70 PolarHBondContact O-N 2.88Å |
| 67 | S | 95.2 | Very high | 90.6 | Very high | 82 Ų | 82 | 85.4 Ų | 85.4 | 57% | 0.573 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E63 E64 E65 H69 A70 A71 | E63-S67 PolarHBondContact O-N 3.49Å; E64-S67 PolarHBondContact O-N 2.76Å; E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.4Å; S67-H69 PolarHBondContact O-N 2.82Å; S67-A70 PolarHBondContact O-N 2.87Å; S67-A71 WeakPolarHBondContact O-CB 3.44Å; S67-A71 PolarHBondContact O-N 2.95Å |
| 68 | R | 95.6 | Very high | 91.6 | Very high | 133 Ų | 133 | 84.7 Ų | 84.7 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.4 | -69.5 | 174 | -163.5 | 172.5 | 9.9 | 111.7 | E64 E65 A71 V72 | E64-R68 VanDerWaalsContact O-CG 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.48Å; E64-R68 PolarHBondContact O-N 3.36Å; E64-R68 IonicContact OE2-NH2 3.6Å; E64-R68 PolarHBondContact OE2-NH2 3.46Å; E64-R68 VanDerWaalsContact OE2-NH2 3.07Å; E65-R68 PolarHBondContact O-N 3.46Å; R68-A71 PolarHBondContact O-N 3.47Å; R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 2.91Å |
| 69 | H | 94.9 | Very high | 92.6 | Very high | 123 Ų | 123 | 85.1 Ų | 85.1 | 57% | 0.569 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 176.7 | -66.4 | 167.7 | 0 | 0 | 0 | 111.7 | E65 R66 S67 A71 V72 V73 | E65-H69 WeakPolarHBondContact O-CB 3.37Å; E65-H69 PolarHBondContact O-CD2 2.71Å; E65-H69 PolarHBondContact O-N 2.83Å; R66-H69 PolarHBondContact O-N 2.85Å; S67-H69 PolarHBondContact O-N 2.82Å; H69-A71 VanDerWaalsContact C-N 3.33Å; H69-A71 PolarHBondContact O-N 2.84Å; H69-V72 PolarHBondContact O-N 3.35Å; H69-V73 WeakPolarHBondContact O-CG2 3.11Å; H69-V73 PolarHBondContact O-N 2.84Å |
| 70 | A | 95.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 76.7 Ų | 76.7 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R66 S67 V73 S74 | R66-A70 WeakPolarHBondContact O-CB 3.44Å; R66-A70 PolarHBondContact O-N 2.88Å; S67-A70 PolarHBondContact O-N 2.87Å; A70-V73 PolarHBondContact O-N 3.05Å; A70-S74 PolarHBondContact O-N 2.74Å; A70-S74 PolarHBondContact O-OG 2.86Å |
| 71 | A | 96.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 79.8 Ų | 79.8 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S67 R68 H69 S74 T75 | S67-A71 WeakPolarHBondContact O-CB 3.44Å; S67-A71 PolarHBondContact O-N 2.95Å; R68-A71 PolarHBondContact O-N 3.47Å; H69-A71 VanDerWaalsContact C-N 3.33Å; H69-A71 PolarHBondContact O-N 2.84Å; A71-S74 PolarHBondContact O-N 2.75Å; A71-S74 PolarHBondContact O-OG 2.65Å; A71-T75 VanDerWaalsContact O-CG2 3.28Å; A71-T75 WeakPolarHBondContact O-CG2 3.33Å; A71-T75 PolarHBondContact O-N 3.04Å; A71-T75 VanDerWaalsContact O-N 3.09Å; A71-T75 PolarHBondContact O-OG1 2.94Å |
| 72 | V | 96.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 85.2 Ų | 85.2 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | R68 H69 S74 T75 V76 | R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 2.91Å; H69-V72 PolarHBondContact O-N 3.35Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 2.81Å; V72-T75 PolarHBondContact O-N 2.74Å; V72-T75 PolarHBondContact O-OG1 2.9Å; V72-V76 HydrophobicContact CG1-CG2 4.5Å; V72-V76 WeakPolarHBondContact O-CG2 3.47Å; V72-V76 PolarHBondContact O-N 2.84Å |
| 73 | V | 95.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 35% | 0.345 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 178.3 | 172 | 0 | 0 | 0 | 0 | 111.6 | H69 A70 V76 N77 L197 | H69-V73 WeakPolarHBondContact O-CG2 3.11Å; H69-V73 PolarHBondContact O-N 2.84Å; A70-V73 PolarHBondContact O-N 3.05Å; V73-V76 PolarHBondContact O-N 3.33Å; V73-N77 WeakPolarHBondContact O-CB 3.3Å; V73-N77 PolarHBondContact O-N 3.28Å; V73-L197 HydrophobicContact CG1-CB 3.95Å |
| 74 | S | 95.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 87.4 Ų | 87.4 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.1 | 67 | 0 | 0 | 0 | 0 | 111.6 | A70 A71 V72 V76 N77 D78 | A70-S74 PolarHBondContact O-N 2.74Å; A70-S74 PolarHBondContact O-OG 2.86Å; A71-S74 PolarHBondContact O-N 2.75Å; A71-S74 PolarHBondContact O-OG 2.65Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 2.81Å; S74-V76 VanDerWaalsContact C-N 3.29Å; S74-V76 PolarHBondContact O-N 2.87Å; S74-N77 PolarHBondContact O-N 3.07Å; S74-N77 VanDerWaalsContact O-N 3.15Å; S74-D78 VanDerWaalsContact O-CG 3.24Å; S74-D78 PolarHBondContact O-N 2.85Å |
| 75 | T | 95.5 | Very high | 94.4 | Very high | 71 Ų | 71 | 85.2 Ų | 85.2 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | A71 V72 R79 | A71-T75 VanDerWaalsContact O-CG2 3.28Å; A71-T75 WeakPolarHBondContact O-CG2 3.33Å; A71-T75 PolarHBondContact O-N 3.04Å; A71-T75 VanDerWaalsContact O-N 3.09Å; A71-T75 PolarHBondContact O-OG1 2.94Å; V72-T75 PolarHBondContact O-N 2.74Å; V72-T75 PolarHBondContact O-OG1 2.9Å; T75-R79 WeakPolarHBondContact O-CG 3.32Å; T75-R79 PolarHBondContact O-N 3.27Å |
| 76 | V | 95.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 83.8 Ų | 83.8 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | V72 V73 S74 D78 R79 I80 F134 L136 L197 | V72-V76 HydrophobicContact CG1-CG2 4.5Å; V72-V76 WeakPolarHBondContact O-CG2 3.47Å; V72-V76 PolarHBondContact O-N 2.84Å; V73-V76 PolarHBondContact O-N 3.33Å; S74-V76 VanDerWaalsContact C-N 3.29Å; S74-V76 PolarHBondContact O-N 2.87Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 2.87Å; V76-R79 PolarHBondContact O-N 3.02Å; V76-I80 HydrophobicContact CG1-CD1 3.9Å; V76-I80 HydrophobicContact CG1-CG1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.84Å; V76-F134 HydrophobicContact CG1-CB 4.34Å; V76-F134 HydrophobicContact CG1-CD2 3.85Å; V76-F134 HydrophobicContact CG1-CE2 4.28Å; V76-F134 HydrophobicContact CG1-CG 4Å; V76-F134 HydrophobicContact CG2-CB 4.32Å; V76-L136 HydrophobicContact CG1-CD2 4.41Å; V76-L197 HydrophobicContact CB-CD1 4.33Å; V76-L197 HydrophobicContact CG1-CD1 3.83Å |
| 77 | N | 95.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 82.8 Ų | 82.8 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 177.5 | -167.7 | 62.5 | 0 | 0 | 0 | 111.5 | V73 S74 R79 I80 E81 L197 | V73-N77 WeakPolarHBondContact O-CB 3.3Å; V73-N77 PolarHBondContact O-N 3.28Å; S74-N77 PolarHBondContact O-N 3.07Å; S74-N77 VanDerWaalsContact O-N 3.15Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 3.14Å; N77-I80 WeakPolarHBondContact O-CB 3.19Å; N77-I80 PolarHBondContact O-N 3.29Å; N77-I80 VanDerWaalsContact O-N 3.09Å; N77-E81 PolarHBondContact ND2-OE1 2.74Å; N77-E81 WeakPolarHBondContact O-CG 3.48Å; N77-E81 PolarHBondContact O-N 3.08Å; N77-L197 HydrophobicContact CB-CB 4.31Å; N77-L197 HydrophobicContact CB-CD1 4.2Å |
| 78 | D | 94.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 79.1 Ų | 79.1 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 175.7 | -66.3 | -16.4 | 0 | 0 | 0 | 112.2 | S74 V76 E81 R82 | S74-D78 VanDerWaalsContact O-CG 3.24Å; S74-D78 PolarHBondContact O-N 2.85Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 2.87Å; D78-E81 PolarHBondContact O-N 3.48Å; D78-R82 VanDerWaalsContact O-CG 3.27Å; D78-R82 WeakPolarHBondContact O-CG 3.35Å; D78-R82 PolarHBondContact O-N 3.02Å; D78-R82 VanDerWaalsContact O-N 3.08Å |
| 79 | R | 93.8 | Very high | 94.6 | Very high | 105 Ų | 105 | 75.5 Ų | 75.5 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 175.9 | -71 | 175.5 | -179.8 | -141.1 | 2.2 | 112 | T75 V76 N77 Q83 D84 D133 | T75-R79 WeakPolarHBondContact O-CG 3.32Å; T75-R79 PolarHBondContact O-N 3.27Å; V76-R79 PolarHBondContact O-N 3.02Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 3.14Å; R79-Q83 PolarHBondContact O-N 3.35Å; R79-D84 PolarHBondContact O-N 3.12Å; R79-D84 VanDerWaalsContact O-N 3.11Å; R79-D133 IonicContact CZ-OD2 3.56Å; R79-D133 IonicContact NH1-OD2 3.03Å; R79-D133 PolarHBondContact NH1-OD2 3.39Å |
| 80 | I | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.4 | -64.3 | 167.9 | 0 | 0 | 0 | 110.2 | V76 N77 R82 Q83 F85 F134 L136 L193 P195 L197 | V76-I80 HydrophobicContact CG1-CD1 3.9Å; V76-I80 HydrophobicContact CG1-CG1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.84Å; N77-I80 WeakPolarHBondContact O-CB 3.19Å; N77-I80 PolarHBondContact O-N 3.29Å; N77-I80 VanDerWaalsContact O-N 3.09Å; I80-R82 PolarHBondContact O-N 3.17Å; I80-Q83 PolarHBondContact O-N 3.11Å; I80-Q83 VanDerWaalsContact O-N 3.12Å; I80-F85 HydrophobicContact CG2-CE1 4.44Å; I80-F134 HydrophobicContact CD1-CE2 4.21Å; I80-F134 HydrophobicContact CD1-CZ 4.38Å; I80-F134 HydrophobicContact CG1-CE2 4.16Å; I80-F134 HydrophobicContact CG1-CZ 3.81Å; I80-L136 HydrophobicContact CD1-CD1 4.37Å; I80-L193 HydrophobicContact CB-CD2 4.45Å; I80-L193 HydrophobicContact CD1-CD2 3.71Å; I80-L193 HydrophobicContact CD1-CG 4.35Å; I80-L193 HydrophobicContact CG1-CD2 3.66Å; I80-L193 HydrophobicContact CG2-CD2 3.95Å; I80-L193 HydrophobicContact CG2-CG 4Å; I80-P195 HydrophobicContact CG2-CB 4.08Å; I80-L197 HydrophobicContact CD1-CD1 3.59Å; I80-L197 HydrophobicContact CD1-CG 4.23Å |
| 81 | E | 94.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 177.5 | -74.9 | 179.9 | -171.3 | 0 | 0 | 112.4 | N77 D78 Q83 P195 | N77-E81 PolarHBondContact ND2-OE1 2.74Å; N77-E81 WeakPolarHBondContact O-CG 3.48Å; N77-E81 PolarHBondContact O-N 3.08Å; D78-E81 PolarHBondContact O-N 3.48Å; E81-Q83 PolarHBondContact O-N 2.94Å; E81-P195 HydrophobicContact CB-CB 4.41Å; E81-P195 HydrophobicContact CG-CB 3.3Å; E81-P195 HydrophobicContact CG-CG 3.81Å |
| 82 | R | 93.8 | Very high | 94.9 | Very high | 172 Ų | 172 | 65.7 Ų | 65.7 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72 | -13.2 | 177.2 | -66 | 172 | -168.4 | -173.9 | 4.3 | 113.5 | D78 I80 D84 | D78-R82 VanDerWaalsContact O-CG 3.27Å; D78-R82 WeakPolarHBondContact O-CG 3.35Å; D78-R82 PolarHBondContact O-N 3.02Å; D78-R82 VanDerWaalsContact O-N 3.08Å; I80-R82 PolarHBondContact O-N 3.17Å; R82-D84 HydrophobicContact CB-CB 4.21Å; R82-D84 VanDerWaalsContact CB-CG 3.48Å; R82-D84 VanDerWaalsContact CB-OD2 3.22Å; R82-D84 WeakPolarHBondContact CB-OD2 3.49Å; R82-D84 VanDerWaalsContact CD-OD2 3.27Å; R82-D84 WeakPolarHBondContact CD-OD2 3.36Å; R82-D84 PolarHBondContact O-N 3.25Å |
| 83 | Q | 91.3 | Very high | 95 | Very high | 149 Ų | 149 | 64.6 Ų | 64.6 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 30.2 | -169.6 | -57 | -179.2 | 2.3 | 0 | 0 | 112.7 | R79 I80 E81 F85 | R79-Q83 PolarHBondContact O-N 3.35Å; I80-Q83 PolarHBondContact O-N 3.11Å; I80-Q83 VanDerWaalsContact O-N 3.12Å; E81-Q83 PolarHBondContact O-N 2.94Å; Q83-F85 HydrophobicContact CB-CE1 4.3Å; Q83-F85 HydrophobicContact CB-CZ 4.47Å; Q83-F85 HydrophobicContact CG-CE1 4.5Å; Q83-F85 PolarHBondContact O-N 3.19Å |
| 84 | D | 91.3 | Very high | 95 | Very high | 100 Ų | 100 | 64.1 Ų | 64.1 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | trans | -82.1 | 57 | 178.7 | -69.1 | -22.4 | 0 | 0 | 0 | 110 | R79 R82 | R79-D84 PolarHBondContact O-N 3.12Å; R79-D84 VanDerWaalsContact O-N 3.11Å; R82-D84 HydrophobicContact CB-CB 4.21Å; R82-D84 VanDerWaalsContact CB-CG 3.48Å; R82-D84 VanDerWaalsContact CB-OD2 3.22Å; R82-D84 WeakPolarHBondContact CB-OD2 3.49Å; R82-D84 VanDerWaalsContact CD-OD2 3.27Å; R82-D84 WeakPolarHBondContact CD-OD2 3.36Å; R82-D84 PolarHBondContact O-N 3.25Å | ||
| 85 | F | 90.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | trans | -139 | 141.4 | 176.3 | 51.5 | -99.7 | 0 | 0 | 0 | 111 | I80 Q83 L88 A131 F134 L193 | I80-F85 HydrophobicContact CG2-CE1 4.44Å; Q83-F85 HydrophobicContact CB-CE1 4.3Å; Q83-F85 HydrophobicContact CB-CZ 4.47Å; Q83-F85 HydrophobicContact CG-CE1 4.5Å; Q83-F85 PolarHBondContact O-N 3.19Å; F85-L88 HydrophobicContact CD2-CD1 4.09Å; F85-L88 HydrophobicContact CD2-CD2 3.73Å; F85-L88 HydrophobicContact CD2-CG 3.9Å; F85-L88 HydrophobicContact CE2-CD1 3.72Å; F85-L88 HydrophobicContact CE2-CD2 4.22Å; F85-L88 HydrophobicContact CE2-CG 4.03Å; F85-L88 HydrophobicContact CG-CD2 4.35Å; F85-A131 HydrophobicContact CB-CB 4.22Å; F85-F134 HydrophobicContact CB-CE1 3.99Å; F85-F134 HydrophobicContact CB-CZ 4.33Å; F85-F134 HydrophobicContact CD1-CE1 4.46Å; F85-F134 HydrophobicContact CD1-CZ 4.29Å; F85-F134 HydrophobicContact CG-CZ 4.43Å; F85-L193 HydrophobicContact CZ-CB 4.47Å | ||
| 86 | G | 91.4 | Very high | 94.9 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | trans | -72.7 | -152.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L88 | G86-L88 PolarHBondContact O-N 3.33Š| ||
| 87 | R | 94.7 | Very high | 94.9 | Very high | 161 Ų | 161 | 68.6 Ų | 68.6 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | trans | -63.9 | 123.2 | 179 | -173.2 | 177.1 | -174.5 | -177.7 | 1.9 | 110.6 | T102 N103 D105 | R87-T102 PolarHBondContact NH2-OG1 2.87Å; R87-N103 PolarHBondContact NH2-O 2.87Å; R87-D105 IonicContact NH2-OD1 2.74Å | ||
| 88 | L | 97 | Very high | 95 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | trans | -81.7 | 150.4 | 174.8 | -60.6 | 179.2 | 0 | 0 | 0 | 111.8 | F85 G86 V129 G130 A131 I191 L193 | F85-L88 HydrophobicContact CD2-CD1 4.09Å; F85-L88 HydrophobicContact CD2-CD2 3.73Å; F85-L88 HydrophobicContact CD2-CG 3.9Å; F85-L88 HydrophobicContact CE2-CD1 3.72Å; F85-L88 HydrophobicContact CE2-CD2 4.22Å; F85-L88 HydrophobicContact CE2-CG 4.03Å; F85-L88 HydrophobicContact CG-CD2 4.35Å; G86-L88 PolarHBondContact O-N 3.33Å; L88-V129 HydrophobicContact CD1-CG1 4.47Å; L88-V129 HydrophobicContact CD2-CG1 4.48Å; L88-G130 WeakPolarHBondContact CA-O 3.09Å; L88-A131 HydrophobicContact CD2-CB 3.64Å; L88-I191 HydrophobicContact CB-CB 4.41Å; L88-I191 HydrophobicContact CB-CG2 4.23Å; L88-I191 HydrophobicContact CD1-CG2 4.2Å; L88-L193 HydrophobicContact CD1-CB 4.2Å | ||
| 89 | F | 97.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 72.4 Ų | 72.4 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 152.9 | 162.8 | 75.6 | -87.2 | 0 | 0 | 0 | 110.2 | K100 V101 T102 L128 V129 G130 | F89-K100 HydrophobicContact CD2-CG 4.34Å; F89-V101 CarbonylContact C-O 3.36Å; F89-V101 VanDerWaalsContact CA-O 3.3Å; F89-V101 WeakPolarHBondContact CA-O 3.35Å; F89-T102 HydrophobicContact CB-CG2 3.7Å; F89-L128 HydrophobicContact CD2-CD2 4.43Å; F89-L128 HydrophobicContact CE2-CD2 3.64Å; F89-L128 HydrophobicContact CZ-CD2 4.09Å; F89-V129 CarbonylContact O-C 3.56Å; F89-V129 WeakPolarHBondContact O-CA 3.47Å; F89-G130 VanDerWaalsContact CD1-O 3.29Å; F89-G130 WeakPolarHBondContact CD1-O 3.41Å; F89-G130 PolarHBondContact N-O 2.82Å; F89-G130 PolarHBondContact O-N 2.92Å |
| 90 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V92 K100 V101 V126 L128 V129 V149 I191 | A90-V92 HydrophobicContact CB-CG1 4.33Å; A90-K100 WeakPolarHBondContact O-CA 3.41Å; A90-V101 HydrophobicContact CB-CG2 4.1Å; A90-V101 PolarHBondContact N-O 2.83Å; A90-V101 WeakPolarHBondContact O-CG2 3.39Å; A90-V101 PolarHBondContact O-N 2.92Å; A90-V126 HydrophobicContact CB-CG1 4.21Å; A90-L128 CarbonylContact C-O 3.56Å; A90-L128 VanDerWaalsContact CA-O 3.24Å; A90-L128 WeakPolarHBondContact CA-O 3.3Å; A90-V129 HydrophobicContact CB-CG2 4.19Å; A90-V149 HydrophobicContact CB-CG2 4.34Å; A90-I191 HydrophobicContact CB-CD1 3.92Å; A90-I191 HydrophobicContact CB-CG1 4.46Å; A90-I191 HydrophobicContact CB-CG2 4.35Å |
| 91 | V | 98.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 112.1 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | Q98 W99 L127 L128 | V91-Q98 HydrophobicContact CG1-CB 4.27Å; V91-W99 CarbonylContact C-O 3.58Å; V91-W99 VanDerWaalsContact CA-O 3.32Å; V91-W99 WeakPolarHBondContact CA-O 3.39Å; V91-L127 PolarHBondContact O-N 2.73Å; V91-L128 HydrophobicContact CB-CB 4.12Å; V91-L128 HydrophobicContact CG2-CB 4.19Å; V91-L128 HydrophobicContact CG2-CD2 4.27Å; V91-L128 PolarHBondContact N-O 3.32Å |
| 92 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.7 | -178.4 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | A90 Q98 W99 V101 L123 K125 V126 V149 | A90-V92 HydrophobicContact CB-CG1 4.33Å; V92-Q98 CarbonylContact O-C 3.55Å; V92-Q98 WeakPolarHBondContact O-CA 3.36Å; V92-W99 HydrophobicContact CG2-CB 3.86Å; V92-W99 PolarHBondContact N-O 2.83Å; V92-W99 PolarHBondContact O-N 3.44Å; V92-V101 HydrophobicContact CG1-CG2 4.05Å; V92-V101 HydrophobicContact CG2-CG1 4.16Å; V92-V101 HydrophobicContact CG2-CG2 4.03Å; V92-L123 HydrophobicContact CB-CD1 4.43Å; V92-L123 HydrophobicContact CG1-CD1 4.43Å; V92-L123 HydrophobicContact CG2-CD1 4.06Å; V92-K125 WeakPolarHBondContact CA-O 3.27Å; V92-V126 HydrophobicContact CG1-CG1 4.49Å; V92-V126 HydrophobicContact CG1-CG2 4.22Å; V92-V149 HydrophobicContact CG1-CG1 4.43Å; V92-V149 HydrophobicContact CG1-CG2 4.17Å |
| 93 | H | 97.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 104.8 | 171.7 | 175.5 | -76.5 | 0 | 0 | 0 | 109.8 | R97 K125 L127 | H93-R97 CarbonylContact C-O 3.54Å; H93-R97 WeakPolarHBondContact CA-O 3.37Å; H93-K125 HydrophobicContact CB-CB 4.26Å; H93-K125 PolarHBondContact N-O 2.78Å; H93-K125 WeakPolarHBondContact O-CB 3.46Å; H93-L127 HydrophobicContact CB-CD1 3.41Å; H93-L127 VanDerWaalsContact CB-CD1 3.41Å |
| 94 | F | 96.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.9 | -176.7 | -169.7 | -107.3 | 0 | 0 | 0 | 110.3 | A96 R97 W99 V109 I113 L123 L186 | F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.84Å; F94-R97 PolarHBondContact N-O 2.88Å; F94-R97 PolarHBondContact O-N 3.08Å; F94-W99 PolarHBondContact O-NE1 2.82Å; F94-V109 HydrophobicContact CD1-CG1 4.18Å; F94-V109 HydrophobicContact CD1-CG2 3.83Å; F94-V109 HydrophobicContact CE1-CB 4.37Å; F94-V109 HydrophobicContact CE1-CG1 3.9Å; F94-V109 HydrophobicContact CE1-CG2 3.82Å; F94-I113 HydrophobicContact CE1-CD1 3.82Å; F94-I113 HydrophobicContact CZ-CD1 3.78Å; F94-I113 HydrophobicContact CZ-CG1 4.43Å; F94-L123 HydrophobicContact CD2-CD2 3.59Å; F94-L123 HydrophobicContact CE2-CD2 3.75Å; F94-L123 HydrophobicContact CG-CD2 4.12Å; F94-L123 HydrophobicContact CZ-CD2 4.41Å; F94-L186 HydrophobicContact CD1-CD1 4.19Å; F94-L186 HydrophobicContact CE1-CD1 3.57Å; F94-L186 HydrophobicContact CZ-CD1 4.03Å |
| 95 | A | 94.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 44.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R97 V109 N111 | A95-R97 PolarHBondContact O-N 3.49Å; A95-R97 VanDerWaalsContact O-N 3.14Å; A95-V109 HydrophobicContact CB-CG1 3.43Å; A95-V109 VanDerWaalsContact CB-CG1 3.43Å; A95-N111 WeakPolarHBondContact CB-ND2 3.45Å |
| 96 | A | 94.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 74% | 0.736 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F94 | F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.84Å |
| 97 | R | 96.4 | Very high | 96.9 | Very high | 124 Ų | 124 | 60.9 Ų | 60.9 | 47% | 0.468 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.7 | 176.5 | -65.7 | 176.1 | 69.5 | 176.1 | -0.4 | 110.1 | H93 F94 A95 W99 E110 | H93-R97 CarbonylContact C-O 3.54Å; H93-R97 WeakPolarHBondContact CA-O 3.37Å; F94-R97 PolarHBondContact N-O 2.88Å; F94-R97 PolarHBondContact O-N 3.08Å; A95-R97 PolarHBondContact O-N 3.49Å; A95-R97 VanDerWaalsContact O-N 3.14Å; R97-W99 HydrophobicContact CB-CZ2 4.45Å; R97-E110 IonicContact NH1-OE1 3.07Å |
| 98 | Q | 97.8 | Very high | 97 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.8 | 172.6 | -64.2 | 179.8 | 10.8 | 0 | 0 | 109.6 | V91 V92 L127 | V91-Q98 HydrophobicContact CG1-CB 4.27Å; V92-Q98 CarbonylContact O-C 3.55Å; V92-Q98 WeakPolarHBondContact O-CA 3.36Å; Q98-L127 HydrophobicContact CG-CD2 4.43Å |
| 99 | W | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.7 | -179.4 | -58.7 | 88.4 | 0 | 0 | 0 | 109.1 | V91 V92 F94 R97 V101 I107 L108 | V91-W99 CarbonylContact C-O 3.58Å; V91-W99 VanDerWaalsContact CA-O 3.32Å; V91-W99 WeakPolarHBondContact CA-O 3.39Å; V92-W99 HydrophobicContact CG2-CB 3.86Å; V92-W99 PolarHBondContact N-O 2.83Å; V92-W99 PolarHBondContact O-N 3.44Å; F94-W99 PolarHBondContact O-NE1 2.82Å; R97-W99 HydrophobicContact CB-CZ2 4.45Å; W99-V101 HydrophobicContact CB-CG1 3.88Å; W99-I107 HydrophobicContact CE3-CB 4.26Å; W99-I107 HydrophobicContact CE3-CG2 4.12Å; W99-L108 WeakPolarHBondContact CH2-O 3.45Å |
| 100 | K | 97.8 | Very high | 96.7 | Very high | 156 Ų | 156 | 57.8 Ų | 57.8 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118.3 | 164.1 | -176.6 | -176.5 | 179.5 | -177.1 | 0 | 107.1 | F89 A90 | F89-K100 HydrophobicContact CD2-CG 4.34Å; A90-K100 WeakPolarHBondContact O-CA 3.41Å |
| 101 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.6 | -174.7 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | F89 A90 V92 W99 I107 I188 | F89-V101 CarbonylContact C-O 3.36Å; F89-V101 VanDerWaalsContact CA-O 3.3Å; F89-V101 WeakPolarHBondContact CA-O 3.35Å; A90-V101 HydrophobicContact CB-CG2 4.1Å; A90-V101 PolarHBondContact N-O 2.83Å; A90-V101 WeakPolarHBondContact O-CG2 3.39Å; A90-V101 PolarHBondContact O-N 2.92Å; V92-V101 HydrophobicContact CG1-CG2 4.05Å; V92-V101 HydrophobicContact CG2-CG1 4.16Å; V92-V101 HydrophobicContact CG2-CG2 4.03Å; W99-V101 HydrophobicContact CB-CG1 3.88Å; V101-I107 HydrophobicContact CG1-CG2 3.8Å; V101-I188 HydrophobicContact CB-CG1 4Å; V101-I188 HydrophobicContact CG1-CD1 4.43Å; V101-I188 HydrophobicContact CG1-CG1 4.08Å |
| 102 | T | 97.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.16 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 171.7 | 168.9 | 72.3 | 0 | 0 | 0 | 0 | 109.7 | R87 F89 E104 D105 I188 | R87-T102 PolarHBondContact NH2-OG1 2.87Å; F89-T102 HydrophobicContact CB-CG2 3.7Å; T102-E104 PolarHBondContact O-N 2.77Å; T102-D105 WeakPolarHBondContact CA-OD2 3.46Å; T102-D105 WeakPolarHBondContact CB-OD2 3.46Å; T102-D105 PolarHBondContact N-OD2 2.85Å; T102-D105 WeakPolarHBondContact O-CB 3.47Å; T102-D105 PolarHBondContact O-N 3.3Å; T102-D105 PolarHBondContact OG1-OD1 2.88Å; T102-D105 VanDerWaalsContact OG1-OD1 3.04Å; T102-D105 PolarHBondContact OG1-OD2 2.84Å; T102-I188 WeakPolarHBondContact O-CB 3.49Å |
| 103 | N | 96.3 | Very high | 95.8 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 139.6 | 174.6 | -62.8 | -17.4 | 0 | 0 | 0 | 110.4 | R87 D105 S190 I191 | R87-N103 PolarHBondContact NH2-O 2.87Å; N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact O-N 3.15Å; N103-S190 WeakPolarHBondContact OD1-CA 3.4Å; N103-I191 WeakPolarHBondContact OD1-CG1 3.45Å; N103-I191 PolarHBondContact OD1-N 2.72Å |
| 104 | E | 96.5 | Very high | 95.6 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 9.5 | -179.9 | -50.3 | -56.6 | 153.5 | 0 | 0 | 116.4 | T102 R187 I188 | T102-E104 PolarHBondContact O-N 2.77Å; E104-R187 IonicContact OE2-CZ 3.06Å; E104-R187 IonicContact OE2-NE 2.72Å; E104-R187 PolarHBondContact OE2-NE 3.48Å; E104-R187 IonicContact OE2-NH2 2.63Å; E104-R187 PolarHBondContact OE2-NH2 3.03Å; E104-I188 WeakPolarHBondContact CA-O 3.37Å; E104-I188 PolarHBondContact N-O 3.42Å |
| 105 | D | 97.3 | Very high | 95.5 | Very high | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | trans | -76.8 | 149.8 | 176 | -71.2 | -14.6 | 0 | 0 | 0 | 112.4 | R87 T102 N103 R187 I188 | R87-D105 IonicContact NH2-OD1 2.74Å; T102-D105 WeakPolarHBondContact CA-OD2 3.46Å; T102-D105 WeakPolarHBondContact CB-OD2 3.46Å; T102-D105 PolarHBondContact N-OD2 2.85Å; T102-D105 WeakPolarHBondContact O-CB 3.47Å; T102-D105 PolarHBondContact O-N 3.3Å; T102-D105 PolarHBondContact OG1-OD1 2.88Å; T102-D105 VanDerWaalsContact OG1-OD1 3.04Å; T102-D105 PolarHBondContact OG1-OD2 2.84Å; N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact O-N 3.15Å; D105-R187 CarbonylContact O-C 3.51Å; D105-R187 WeakPolarHBondContact O-CA 3.45Å; D105-I188 PolarHBondContact O-N 3.1Å | ||
| 106 | L | 97.3 | Very high | 95.6 | Very high | 111 Ų | 111 | 77.2 Ų | 77.2 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.6 | 171.9 | -60.7 | -179 | 0 | 0 | 0 | 110.4 | I154 V185 L186 R187 | L106-I154 HydrophobicContact CD2-CD1 3.5Å; L106-I154 VanDerWaalsContact CD2-CD1 3.5Å; L106-V185 HydrophobicContact CB-CG1 4.48Å; L106-V185 HydrophobicContact CD2-CG1 4.39Å; L106-L186 CarbonylContact C-O 3.54Å; L106-L186 WeakPolarHBondContact CA-O 3.33Å; L106-R187 HydrophobicContact CD2-CB 3.62Å; L106-R187 HydrophobicContact CD2-CG 3.91Å |
| 107 | I | 96.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.3 | 172.9 | 62.9 | 174.8 | 0 | 0 | 0 | 110.1 | W99 V101 V109 V185 L186 I188 | W99-I107 HydrophobicContact CE3-CB 4.26Å; W99-I107 HydrophobicContact CE3-CG2 4.12Å; V101-I107 HydrophobicContact CG1-CG2 3.8Å; I107-V109 HydrophobicContact CD1-CG2 4.3Å; I107-V109 HydrophobicContact CG1-CG2 4.31Å; I107-V185 WeakPolarHBondContact O-CA 3.41Å; I107-L186 HydrophobicContact CD1-CB 4.12Å; I107-L186 HydrophobicContact CD1-CD1 3.97Å; I107-L186 HydrophobicContact CG1-CB 3.65Å; I107-L186 HydrophobicContact CG1-CD1 4.28Å; I107-L186 HydrophobicContact CG1-CG 4.34Å; I107-L186 PolarHBondContact N-O 3.16Å; I107-L186 PolarHBondContact O-N 3.03Å; I107-I188 HydrophobicContact CD1-CD1 4.18Å |
| 108 | L | 96.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.5 | 173.7 | -176.8 | 74.2 | 0 | 0 | 0 | 109.1 | W99 Q183 V185 | W99-L108 WeakPolarHBondContact CH2-O 3.45Å; L108-Q183 HydrophobicContact CD1-CB 3.94Å; L108-V185 HydrophobicContact CD1-CG2 3.67Å |
| 109 | V | 96.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.4 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | F94 A95 I107 N111 Q183 T184 L186 | F94-V109 HydrophobicContact CD1-CG1 4.18Å; F94-V109 HydrophobicContact CD1-CG2 3.83Å; F94-V109 HydrophobicContact CE1-CB 4.37Å; F94-V109 HydrophobicContact CE1-CG1 3.9Å; F94-V109 HydrophobicContact CE1-CG2 3.82Å; A95-V109 HydrophobicContact CB-CG1 3.43Å; A95-V109 VanDerWaalsContact CB-CG1 3.43Å; I107-V109 HydrophobicContact CD1-CG2 4.3Å; I107-V109 HydrophobicContact CG1-CG2 4.31Å; V109-N111 HydrophobicContact CG1-CB 4.09Å; V109-N111 PolarHBondContact O-N 3.09Å; V109-Q183 CarbonylContact O-C 3.53Å; V109-Q183 VanDerWaalsContact O-CA 3.32Å; V109-Q183 WeakPolarHBondContact O-CA 3.49Å; V109-T184 PolarHBondContact N-O 3.24Å; V109-T184 PolarHBondContact O-N 3.2Å; V109-L186 HydrophobicContact CG2-CD1 4.08Å; V109-L186 HydrophobicContact CG2-CG 4.47Å |
| 110 | E | 92.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -78.4 | 36.1 | -179.6 | -63.9 | 172.6 | -159.1 | 0 | 0 | 113.2 | R97 P182 | R97-E110 IonicContact NH1-OE1 3.07Å; E110-P182 CarbonylContact C-O 3.56Å |
| 111 | N | 91.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 72.1 Ų | 72.1 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134.5 | 155.7 | 178.4 | -73.4 | -14.2 | 0 | 0 | 0 | 110.5 | A95 V109 T184 | A95-N111 WeakPolarHBondContact CB-ND2 3.45Å; V109-N111 HydrophobicContact CG1-CB 4.09Å; V109-N111 PolarHBondContact O-N 3.09Å; N111-T184 PolarHBondContact O-OG1 3.06Å |
| 112 | H | 90.9 | Very high | 95.5 | Very high | 127 Ų | 127 | 78.6 Ų | 78.6 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | trans | -77.5 | 128.4 | 166.1 | -176.8 | 76.9 | 0 | 0 | 0 | 110 | P182 | H112-P182 HydrophobicContact CB-CG 4.45Š| ||
| 113 | I | 93.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 77.9 Ų | 77.9 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | trans | -109.1 | 135.1 | 174.6 | -59.3 | 173.4 | 0 | 0 | 0 | 107.7 | F94 A115 K156 T184 L186 | F94-I113 HydrophobicContact CE1-CD1 3.82Å; F94-I113 HydrophobicContact CZ-CD1 3.78Å; F94-I113 HydrophobicContact CZ-CG1 4.43Å; I113-A115 HydrophobicContact CG2-CB 4.03Å; I113-A115 PolarHBondContact O-N 3Å; I113-K156 WeakPolarHBondContact O-CE 3.34Å; I113-K156 PolarHBondContact O-NZ 3.34Å; I113-T184 HydrophobicContact CB-CG2 4.46Å; I113-T184 HydrophobicContact CD1-CG2 3.84Å; I113-T184 HydrophobicContact CG1-CG2 4.39Å; I113-L186 HydrophobicContact CD1-CD1 3.94Å; I113-L186 HydrophobicContact CD1-CD2 3.93Å; I113-L186 HydrophobicContact CD1-CG 4.21Å | ||
| 114 | E | 92 | Very high | 95.4 | Very high | 188 Ų | 188 | 81.2 Ų | 81.2 | 88% | 0.879 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.6 | -12 | -176.2 | -64.8 | 179.2 | 174.2 | 0 | 0 | 113.9 | ||
| 115 | A | 94.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 82 Ų | 82 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -75.8 | 146.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I113 D119 I121 V153 K156 | I113-A115 HydrophobicContact CG2-CB 4.03Å; I113-A115 PolarHBondContact O-N 3Å; A115-D119 HydrophobicContact CB-CB 4.05Å; A115-I121 HydrophobicContact CB-CG2 3.98Å; A115-V153 HydrophobicContact CB-CG2 4.06Å; A115-K156 WeakPolarHBondContact O-CE 3.27Å; A115-K156 PolarHBondContact O-NZ 2.89Å |
| 116 | E | 96.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 79.6 Ų | 79.6 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 163.5 | 179.8 | -63.4 | -170.4 | 171.4 | 0 | 0 | 112.4 | G118 D119 V153 | E116-G118 PolarHBondContact O-N 3.34Å; E116-D119 PolarHBondContact N-OD2 3.44Å; E116-D119 WeakPolarHBondContact O-CB 3.38Å; E116-D119 PolarHBondContact O-N 3.19Å; E116-D119 VanDerWaalsContact O-N 3.16Å; E116-V153 WeakPolarHBondContact O-CB 3.45Å |
| 117 | C | 96.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 75.9 Ų | 75.9 | 53% | 0.527 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 127.1 | 173.6 | -60.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 118 | G | 96.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -16 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E116 V153 | E116-G118 PolarHBondContact O-N 3.34Å; G118-V153 PolarHBondContact N-O 3.04Å |
| 119 | D | 97.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | trans | -67.5 | 145.6 | -179.6 | -77.5 | -14.8 | 0 | 0 | 0 | 112.5 | A115 E116 T152 V153 | A115-D119 HydrophobicContact CB-CB 4.05Å; E116-D119 PolarHBondContact N-OD2 3.44Å; E116-D119 WeakPolarHBondContact O-CB 3.38Å; E116-D119 PolarHBondContact O-N 3.19Å; E116-D119 VanDerWaalsContact O-N 3.16Å; D119-T152 VanDerWaalsContact O-CA 3.27Å; D119-T152 WeakPolarHBondContact O-CA 3.31Å; D119-V153 PolarHBondContact O-N 3.32Å | ||
| 120 | R | 97.2 | Very high | 95.6 | Very high | 206 Ų | 206 | 73.9 Ų | 73.9 | 78% | 0.777 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.2 | 176.2 | -65.7 | 178.3 | 177.8 | -179.2 | -0.4 | 109.8 | A151 | R120-A151 CarbonylContact C-O 3.41Å; R120-A151 WeakPolarHBondContact CA-O 3.5Å |
| 121 | I | 96.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151 | 179 | 64.2 | 173.8 | 0 | 0 | 0 | 110.9 | A115 L123 A151 L186 | A115-I121 HydrophobicContact CB-CG2 3.98Å; I121-L123 HydrophobicContact CD1-CD2 4.27Å; I121-A151 HydrophobicContact CG1-CB 3.99Å; I121-A151 PolarHBondContact N-O 3.23Å; I121-A151 PolarHBondContact O-N 2.92Å; I121-L186 HydrophobicContact CD1-CD1 3.98Å; I121-L186 HydrophobicContact CD1-CD2 4Å |
| 122 | Y | 96.7 | Very high | 95.9 | Very high | 136 Ų | 136 | 74.6 Ų | 74.6 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.8 | 173.6 | -68.8 | -81.7 | 0 | 0 | 0 | 110.1 | E124 V149 K150 | Y122-E124 PolarHBondContact O-N 2.9Å; Y122-V149 WeakPolarHBondContact CA-O 3.25Å; Y122-K150 HydrophobicContact CD1-CG 3.84Å; Y122-K150 HydrophobicContact CE1-CD 4.02Å; Y122-K150 HydrophobicContact CE1-CG 3.41Å; Y122-K150 VanDerWaalsContact CE1-CG 3.41Å |
| 123 | L | 96.6 | Very high | 96.1 | Very high | 11 Ų | 11 | 73.8 Ų | 73.8 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 98.9 | 173.2 | -54.7 | -178.9 | 0 | 0 | 0 | 108.8 | V92 F94 I121 V149 A151 I188 | V92-L123 HydrophobicContact CB-CD1 4.43Å; V92-L123 HydrophobicContact CG1-CD1 4.43Å; V92-L123 HydrophobicContact CG2-CD1 4.06Å; F94-L123 HydrophobicContact CD2-CD2 3.59Å; F94-L123 HydrophobicContact CE2-CD2 3.75Å; F94-L123 HydrophobicContact CG-CD2 4.12Å; F94-L123 HydrophobicContact CZ-CD2 4.41Å; I121-L123 HydrophobicContact CD1-CD2 4.27Å; L123-V149 HydrophobicContact CB-CB 4.15Å; L123-V149 HydrophobicContact CB-CG1 4.3Å; L123-V149 HydrophobicContact CD1-CG1 4Å; L123-V149 HydrophobicContact CG-CG1 4.39Å; L123-V149 PolarHBondContact N-O 2.91Å; L123-A151 HydrophobicContact CD1-CB 4.37Å; L123-A151 HydrophobicContact CG-CB 4.35Å; L123-I188 HydrophobicContact CD1-CD1 3.84Å |
| 124 | E | 94.8 | Very high | 96.2 | Very high | 115 Ų | 115 | 73.5 Ų | 73.5 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | trans | -73.3 | -33.6 | -174 | -57.7 | -165.8 | 135.5 | 0 | 0 | 113.9 | Y122 V126 K144 | Y122-E124 PolarHBondContact O-N 2.9Å; E124-V126 PolarHBondContact O-N 2.95Å; E124-V126 VanDerWaalsContact O-N 3.07Å; E124-K144 IonicContact OE1-NZ 2.73Å; E124-K144 PolarHBondContact OE1-NZ 3.15Å; E124-K144 WeakPolarHBondContact OE2-CE 3.42Å; E124-K144 IonicContact OE2-NZ 3.92Å; E124-K144 PolarHBondContact OE2-NZ 2.87Å | ||
| 125 | K | 97.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 68.7 Ų | 68.7 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | trans | -87.2 | 80.1 | -172.5 | -65.9 | -178 | -178.3 | -179.8 | 0 | 110.3 | V92 H93 L141 | V92-K125 WeakPolarHBondContact CA-O 3.27Å; H93-K125 HydrophobicContact CB-CB 4.26Å; H93-K125 PolarHBondContact N-O 2.78Å; H93-K125 WeakPolarHBondContact O-CB 3.46Å; K125-L141 HydrophobicContact CB-CD2 4.18Å; K125-L141 HydrophobicContact CG-CD1 4.3Å | ||
| 126 | V | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128 | 173.8 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | A90 V92 E124 V129 L141 L142 V147 V149 | A90-V126 HydrophobicContact CB-CG1 4.21Å; V92-V126 HydrophobicContact CG1-CG1 4.49Å; V92-V126 HydrophobicContact CG1-CG2 4.22Å; E124-V126 PolarHBondContact O-N 2.95Å; E124-V126 VanDerWaalsContact O-N 3.07Å; V126-V129 HydrophobicContact CG1-CG2 3.83Å; V126-L141 WeakPolarHBondContact O-CA 3.22Å; V126-L142 HydrophobicContact CG1-CD1 4.26Å; V126-L142 PolarHBondContact O-N 2.81Å; V126-V147 HydrophobicContact CB-CG1 4.48Å; V126-V147 HydrophobicContact CG1-CG1 4.23Å; V126-V147 HydrophobicContact CG2-CG1 4.13Å; V126-V149 HydrophobicContact CG2-CG2 3.79Å |
| 127 | L | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -39.5 | -178.8 | -75.4 | 74.3 | 0 | 0 | 0 | 111.1 | V91 H93 Q98 G138 L141 | V91-L127 PolarHBondContact O-N 2.73Å; H93-L127 HydrophobicContact CB-CD1 3.41Å; H93-L127 VanDerWaalsContact CB-CD1 3.41Å; Q98-L127 HydrophobicContact CG-CD2 4.43Å; L127-G138 WeakPolarHBondContact O-CA 3.42Å; L127-G138 PolarHBondContact O-N 3.09Å; L127-L141 HydrophobicContact CD1-CD2 3.83Å; L127-L141 HydrophobicContact CG-CD2 4.07Å |
| 128 | L | 97.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.9 | -174.2 | -178.2 | 152.9 | 0 | 0 | 0 | 109.5 | F89 A90 V91 L136 V137 | F89-L128 HydrophobicContact CD2-CD2 4.43Å; F89-L128 HydrophobicContact CE2-CD2 3.64Å; F89-L128 HydrophobicContact CZ-CD2 4.09Å; A90-L128 CarbonylContact C-O 3.56Å; A90-L128 VanDerWaalsContact CA-O 3.24Å; A90-L128 WeakPolarHBondContact CA-O 3.3Å; V91-L128 HydrophobicContact CB-CB 4.12Å; V91-L128 HydrophobicContact CG2-CB 4.19Å; V91-L128 HydrophobicContact CG2-CD2 4.27Å; V91-L128 PolarHBondContact N-O 3.32Å; L128-L136 VanDerWaalsContact CA-O 3.31Å; L128-L136 WeakPolarHBondContact CA-O 3.39Å; L128-V137 HydrophobicContact CD1-CG2 3.88Å; L128-V137 HydrophobicContact CG-CG2 4.32Å |
| 129 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.6 | 164.7 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | L88 F89 A90 V126 T135 L136 L142 V147 | L88-V129 HydrophobicContact CD1-CG1 4.47Å; L88-V129 HydrophobicContact CD2-CG1 4.48Å; F89-V129 CarbonylContact O-C 3.56Å; F89-V129 WeakPolarHBondContact O-CA 3.47Å; A90-V129 HydrophobicContact CB-CG2 4.19Å; V126-V129 HydrophobicContact CG1-CG2 3.83Å; V129-T135 WeakPolarHBondContact O-CA 3.48Å; V129-L136 PolarHBondContact N-O 3.31Å; V129-L136 PolarHBondContact O-N 2.7Å; V129-L142 HydrophobicContact CB-CD1 4.24Å; V129-L142 HydrophobicContact CG2-CD1 3.83Å; V129-V147 HydrophobicContact CG2-CB 4.27Å; V129-V147 HydrophobicContact CG2-CG1 3.62Å; V129-V147 HydrophobicContact CG2-CG2 3.64Å |
| 130 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L88 F89 | L88-G130 WeakPolarHBondContact CA-O 3.09Å; F89-G130 VanDerWaalsContact CD1-O 3.29Å; F89-G130 WeakPolarHBondContact CD1-O 3.41Å; F89-G130 PolarHBondContact N-O 2.82Å; F89-G130 PolarHBondContact O-N 2.92Å |
| 131 | A | 96.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | trans | -102.4 | -173 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109 | F85 L88 F134 | F85-A131 HydrophobicContact CB-CB 4.22Å; L88-A131 HydrophobicContact CD2-CB 3.64Å; A131-F134 HydrophobicContact CB-CD1 3.88Å; A131-F134 HydrophobicContact CB-CD2 4.38Å; A131-F134 HydrophobicContact CB-CE1 3.65Å; A131-F134 HydrophobicContact CB-CE2 4.16Å; A131-F134 HydrophobicContact CB-CG 4.24Å; A131-F134 HydrophobicContact CB-CZ 3.79Å; A131-F134 PolarHBondContact N-O 3.02Å | ||
| 132 | E | 94.5 | Very high | 96.4 | Very high | 169 Ų | 169 | 67.6 Ų | 67.6 | 79% | 0.79 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -65 | -45.8 | 173 | -173.4 | 170.6 | -176.4 | 0 | 0 | 111.7 | ||
| 133 | D | 94.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -99 | -21.3 | -171.1 | -70.6 | -11.9 | 0 | 0 | 0 | 114.8 | R79 | R79-D133 IonicContact CZ-OD2 3.56Å; R79-D133 IonicContact NH1-OD2 3.03Å; R79-D133 PolarHBondContact NH1-OD2 3.39Å |
| 134 | F | 95.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | trans | -142.4 | 155.3 | -174.7 | 68.2 | -92.6 | 0 | 0 | 0 | 111.9 | V76 I80 F85 A131 L136 L193 | V76-F134 HydrophobicContact CG1-CB 4.34Å; V76-F134 HydrophobicContact CG1-CD2 3.85Å; V76-F134 HydrophobicContact CG1-CE2 4.28Å; V76-F134 HydrophobicContact CG1-CG 4Å; V76-F134 HydrophobicContact CG2-CB 4.32Å; I80-F134 HydrophobicContact CD1-CE2 4.21Å; I80-F134 HydrophobicContact CD1-CZ 4.38Å; I80-F134 HydrophobicContact CG1-CE2 4.16Å; I80-F134 HydrophobicContact CG1-CZ 3.81Å; F85-F134 HydrophobicContact CB-CE1 3.99Å; F85-F134 HydrophobicContact CB-CZ 4.33Å; F85-F134 HydrophobicContact CD1-CE1 4.46Å; F85-F134 HydrophobicContact CD1-CZ 4.29Å; F85-F134 HydrophobicContact CG-CZ 4.43Å; A131-F134 HydrophobicContact CB-CD1 3.88Å; A131-F134 HydrophobicContact CB-CD2 4.38Å; A131-F134 HydrophobicContact CB-CE1 3.65Å; A131-F134 HydrophobicContact CB-CE2 4.16Å; A131-F134 HydrophobicContact CB-CG 4.24Å; A131-F134 HydrophobicContact CB-CZ 3.79Å; A131-F134 PolarHBondContact N-O 3.02Å; F134-L136 HydrophobicContact CD2-CD2 4.41Å; F134-L136 HydrophobicContact CD2-CG 4.21Å; F134-L136 HydrophobicContact CE2-CD1 4.33Å; F134-L136 HydrophobicContact CE2-CG 4.28Å; F134-L193 HydrophobicContact CE2-CD2 3.9Å; F134-L193 HydrophobicContact CZ-CD2 3.95Å | ||
| 135 | T | 96.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138 | 175.4 | 56.4 | 0 | 0 | 0 | 0 | 110 | V129 | V129-T135 WeakPolarHBondContact O-CA 3.48Å |
| 136 | L | 96.5 | Very high | 95.9 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120 | 176.2 | -57.9 | 176.9 | 0 | 0 | 0 | 107.8 | V76 I80 L128 V129 F134 L142 L146 L193 L197 | V76-L136 HydrophobicContact CG1-CD2 4.41Å; I80-L136 HydrophobicContact CD1-CD1 4.37Å; L128-L136 VanDerWaalsContact CA-O 3.31Å; L128-L136 WeakPolarHBondContact CA-O 3.39Å; V129-L136 PolarHBondContact N-O 3.31Å; V129-L136 PolarHBondContact O-N 2.7Å; F134-L136 HydrophobicContact CD2-CD2 4.41Å; F134-L136 HydrophobicContact CD2-CG 4.21Å; F134-L136 HydrophobicContact CE2-CD1 4.33Å; F134-L136 HydrophobicContact CE2-CG 4.28Å; L136-L142 HydrophobicContact CB-CD1 4.32Å; L136-L142 HydrophobicContact CB-CD2 4.24Å; L136-L146 HydrophobicContact CD1-CD2 4.28Å; L136-L193 HydrophobicContact CD1-CD1 3.64Å; L136-L193 HydrophobicContact CD1-CD2 4.15Å; L136-L193 HydrophobicContact CD1-CG 4.48Å; L136-L197 HydrophobicContact CD1-CD2 4.45Å; L136-L197 HydrophobicContact CD2-CD1 4.36Å; L136-L197 HydrophobicContact CD2-CD2 4.19Å |
| 137 | V | 97.3 | Very high | 95.8 | Very high | 98 Ų | 98 | 64.4 Ų | 64.4 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.2 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L128 | L128-V137 HydrophobicContact CD1-CG2 3.88Å; L128-V137 HydrophobicContact CG-CG2 4.32Å |
| 138 | G | 95.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | trans | -74.2 | 162 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 P140 L141 | L127-G138 WeakPolarHBondContact O-CA 3.42Å; L127-G138 PolarHBondContact O-N 3.09Å; G138-P140 VanDerWaalsContact C-C 3.48Å; G138-L141 WeakPolarHBondContact CA-O 3.24Å | ||
| 139 | R | 95.7 | Very high | 95.8 | Very high | 240 Ų | 240 | 66.6 Ų | 66.6 | 91% | 0.906 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -130 | 80.2 | 174.2 | -71 | -173.4 | -74.8 | -173.4 | -4.4 | 110.9 | L141 | R139-L141 PolarHBondContact N-O 3.25Š|
| 140 | P | 95.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | S | Bend | cis | -83.6 | -15.4 | -12.6 | 32.6 | -33.9 | 0 | 0 | 0 | 113.8 | G138 | G138-P140 VanDerWaalsContact C-C 3.48Š|
| 141 | L | 96.9 | Very high | 95.8 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -108.7 | 154.8 | 179.8 | -59.9 | 175.8 | 0 | 0 | 0 | 110.4 | K125 V126 L127 G138 R139 | K125-L141 HydrophobicContact CB-CD2 4.18Å; K125-L141 HydrophobicContact CG-CD1 4.3Å; V126-L141 WeakPolarHBondContact O-CA 3.22Å; L127-L141 HydrophobicContact CD1-CD2 3.83Å; L127-L141 HydrophobicContact CG-CD2 4.07Å; G138-L141 WeakPolarHBondContact CA-O 3.24Å; R139-L141 PolarHBondContact N-O 3.25Å |
| 142 | L | 96.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 69.9 Ų | 69.9 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | trans | -81.2 | 153.7 | 167 | -67.4 | 171.5 | 0 | 0 | 0 | 110.2 | V126 V129 L136 L146 V147 | V126-L142 HydrophobicContact CG1-CD1 4.26Å; V126-L142 PolarHBondContact O-N 2.81Å; V129-L142 HydrophobicContact CB-CD1 4.24Å; V129-L142 HydrophobicContact CG2-CD1 3.83Å; L136-L142 HydrophobicContact CB-CD1 4.32Å; L136-L142 HydrophobicContact CB-CD2 4.24Å; L142-L146 HydrophobicContact CD2-CD2 4.17Å; L142-V147 HydrophobicContact CB-CG2 4.28Å; L142-V147 HydrophobicContact CD1-CG2 3.91Å | ||
| 143 | G | 94.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | trans | -65.4 | 140.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E145 L146 V147 | G143-E145 PolarHBondContact O-N 2.91Å; G143-L146 WeakPolarHBondContact O-CB 3.32Å; G143-L146 PolarHBondContact O-N 3.46Å; G143-V147 PolarHBondContact O-N 3.42Å | ||
| 144 | K | 93 | Very high | 96.2 | Very high | 122 Ų | 122 | 60.1 Ų | 60.1 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.3 | 177.4 | -62.7 | -173.4 | 176.6 | -163.9 | 0 | 113.6 | E124 | E124-K144 IonicContact OE1-NZ 2.73Å; E124-K144 PolarHBondContact OE1-NZ 3.15Å; E124-K144 WeakPolarHBondContact OE2-CE 3.42Å; E124-K144 IonicContact OE2-NZ 3.92Å; E124-K144 PolarHBondContact OE2-NZ 2.87Å |
| 145 | E | 92.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 63.6 Ų | 63.6 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -24.6 | 177.1 | -57.2 | -165.3 | 175.8 | 0 | 0 | 112.8 | G143 Y194 R196 | G143-E145 PolarHBondContact O-N 2.91Å; E145-Y194 WeakPolarHBondContact O-CB 3.49Å; E145-R196 IonicContact OE2-CZ 2.75Å; E145-R196 IonicContact OE2-NH1 3.88Å; E145-R196 PolarHBondContact OE2-NH1 3.27Å |
| 146 | L | 94.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -43.7 | -177.3 | -178.5 | 64.1 | 0 | 0 | 0 | 110.9 | L136 L142 G143 L193 Y194 L197 | L136-L146 HydrophobicContact CD1-CD2 4.28Å; L142-L146 HydrophobicContact CD2-CD2 4.17Å; G143-L146 WeakPolarHBondContact O-CB 3.32Å; G143-L146 PolarHBondContact O-N 3.46Å; L146-L193 HydrophobicContact CD1-CD1 4.25Å; L146-L193 HydrophobicContact CG-CD1 4.19Å; L146-L193 WeakPolarHBondContact O-CA 3.37Å; L146-Y194 VanDerWaalsContact CD1-O 3.25Å; L146-Y194 WeakPolarHBondContact CD1-O 3.32Å; L146-Y194 PolarHBondContact O-N 2.94Å; L146-L197 HydrophobicContact CD1-CD2 3.67Å; L146-L197 HydrophobicContact CD1-CG 4.27Å; L146-L197 HydrophobicContact CD2-CD2 3.96Å; L146-L197 HydrophobicContact CG-CD2 4.49Å |
| 147 | V | 96.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.5 | -173.9 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | V126 V129 L142 G143 V149 I191 E192 L193 | V126-V147 HydrophobicContact CB-CG1 4.48Å; V126-V147 HydrophobicContact CG1-CG1 4.23Å; V126-V147 HydrophobicContact CG2-CG1 4.13Å; V129-V147 HydrophobicContact CG2-CB 4.27Å; V129-V147 HydrophobicContact CG2-CG1 3.62Å; V129-V147 HydrophobicContact CG2-CG2 3.64Å; L142-V147 HydrophobicContact CB-CG2 4.28Å; L142-V147 HydrophobicContact CD1-CG2 3.91Å; G143-V147 PolarHBondContact O-N 3.42Å; V147-V149 HydrophobicContact CG1-CG2 4.18Å; V147-I191 HydrophobicContact CG1-CG2 4.48Å; V147-E192 WeakPolarHBondContact CA-O 3.04Å; V147-L193 HydrophobicContact CG2-CD1 3.8Å |
| 148 | R | 96.1 | Very high | 96.1 | Very high | 117 Ų | 117 | 67.2 Ų | 67.2 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.8 | 168.4 | -64.4 | -178.7 | 179.2 | 176.2 | -5.3 | 110.5 | E192 Y194 | R148-E192 HydrophobicContact CB-CB 4.35Å; R148-E192 PolarHBondContact N-O 2.69Å; R148-E192 PolarHBondContact O-N 3.1Å; R148-Y194 HydrophobicContact CB-CE2 4.25Å; R148-Y194 HydrophobicContact CG-CE2 3.89Å |
| 149 | V | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.9 | 173.5 | -179 | 0 | 0 | 0 | 0 | 108.5 | A90 V92 Y122 L123 V126 V147 I188 I191 | A90-V149 HydrophobicContact CB-CG2 4.34Å; V92-V149 HydrophobicContact CG1-CG1 4.43Å; V92-V149 HydrophobicContact CG1-CG2 4.17Å; Y122-V149 WeakPolarHBondContact CA-O 3.25Å; L123-V149 HydrophobicContact CB-CB 4.15Å; L123-V149 HydrophobicContact CB-CG1 4.3Å; L123-V149 HydrophobicContact CD1-CG1 4Å; L123-V149 HydrophobicContact CG-CG1 4.39Å; L123-V149 PolarHBondContact N-O 2.91Å; V126-V149 HydrophobicContact CG2-CG2 3.79Å; V147-V149 HydrophobicContact CG1-CG2 4.18Å; V149-I188 HydrophobicContact CG1-CD1 4.49Å; V149-I188 HydrophobicContact CG1-CG2 4.07Å; V149-I191 HydrophobicContact CG1-CG1 4.34Å; V149-I191 HydrophobicContact CG2-CG1 4.24Å; V149-I191 HydrophobicContact CG2-CG2 4.29Å |
| 150 | K | 97.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 60.8 Ų | 60.8 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.3 | 177.6 | -71.2 | 175.3 | -176.5 | 167.3 | 0 | 109.4 | Y122 N189 S190 E192 | Y122-K150 HydrophobicContact CD1-CG 3.84Å; Y122-K150 HydrophobicContact CE1-CD 4.02Å; Y122-K150 HydrophobicContact CE1-CG 3.41Å; Y122-K150 VanDerWaalsContact CE1-CG 3.41Å; K150-N189 HydrophobicContact CB-CB 4.33Å; K150-N189 PolarHBondContact O-N 3.08Å; K150-S190 PolarHBondContact N-O 2.85Å; K150-S190 PolarHBondContact O-N 3.49Å; K150-E192 VanDerWaalsContact CE-OE1 3.3Å; K150-E192 WeakPolarHBondContact CE-OE1 3.44Å; K150-E192 IonicContact NZ-OE1 2.64Å; K150-E192 PolarHBondContact NZ-OE1 3.5Å; K150-E192 IonicContact NZ-OE2 3.34Å; K150-E192 PolarHBondContact NZ-OE2 3.35Å |
| 151 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 154.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | R120 I121 L123 R187 I188 | R120-A151 CarbonylContact C-O 3.41Å; R120-A151 WeakPolarHBondContact CA-O 3.5Å; I121-A151 HydrophobicContact CG1-CB 3.99Å; I121-A151 PolarHBondContact N-O 3.23Å; I121-A151 PolarHBondContact O-N 2.92Å; L123-A151 HydrophobicContact CD1-CB 4.37Å; L123-A151 HydrophobicContact CG-CB 4.35Å; A151-R187 CarbonylContact C-O 3.53Å; A151-R187 WeakPolarHBondContact CA-O 3.27Å; A151-R187 WeakPolarHBondContact CB-O 3.3Å; A151-I188 HydrophobicContact CB-CD1 3.81Å |
| 152 | T | 98.1 | Very high | 96.2 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.4 | 173.5 | -72.8 | 0 | 0 | 0 | 0 | 110.4 | D119 I154 L186 R187 N189 | D119-T152 VanDerWaalsContact O-CA 3.27Å; D119-T152 WeakPolarHBondContact O-CA 3.31Å; T152-I154 PolarHBondContact O-N 3.44Å; T152-L186 CarbonylContact O-C 3.56Å; T152-L186 WeakPolarHBondContact O-CA 3.42Å; T152-R187 PolarHBondContact N-O 2.84Å; T152-R187 PolarHBondContact O-N 2.74Å; T152-N189 PolarHBondContact OG1-ND2 3.36Å |
| 153 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.9 | 170.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | A115 E116 G118 D119 T184 L186 | A115-V153 HydrophobicContact CB-CG2 4.06Å; E116-V153 WeakPolarHBondContact O-CB 3.45Å; G118-V153 PolarHBondContact N-O 3.04Å; D119-V153 PolarHBondContact O-N 3.32Å; V153-T184 HydrophobicContact CG1-CG2 3.69Å; V153-L186 HydrophobicContact CB-CD2 4.11Å; V153-L186 HydrophobicContact CG1-CD2 4.4Å; V153-L186 HydrophobicContact CG2-CD2 3.61Å |
| 154 | I | 97.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -59.6 | 176.3 | -66.1 | -171.7 | 0 | 0 | 0 | 109.8 | L106 T152 V185 R187 | L106-I154 HydrophobicContact CD2-CD1 3.5Å; L106-I154 VanDerWaalsContact CD2-CD1 3.5Å; T152-I154 PolarHBondContact O-N 3.44Å; I154-V185 HydrophobicContact CB-CG1 4.48Å; I154-V185 PolarHBondContact N-O 3.38Å; I154-R187 HydrophobicContact CD1-CB 3.67Å; I154-R187 HydrophobicContact CD1-CG 4.45Å; I154-R187 HydrophobicContact CG1-CB 3.96Å |
| 155 | E | 96.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155 | -171.5 | 59.4 | 171.8 | -153.5 | 0 | 0 | 111.4 | V185 | E155-V185 HydrophobicContact CG-CB 3.65Å; E155-V185 HydrophobicContact CG-CG2 3.67Å; E155-V185 PolarHBondContact O-N 2.96Å; E155-V185 WeakPolarHBondContact OE1-CG2 3.34Å |
| 156 | K | 96.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.5 | 170.3 | -64.3 | -176.4 | -175.8 | -174.5 | 0 | 107.3 | I113 A115 Q183 T184 | I113-K156 WeakPolarHBondContact O-CE 3.34Å; I113-K156 PolarHBondContact O-NZ 3.34Å; A115-K156 WeakPolarHBondContact O-CE 3.27Å; A115-K156 PolarHBondContact O-NZ 2.89Å; K156-Q183 CarbonylContact C-O 3.58Å; K156-Q183 WeakPolarHBondContact CA-O 3.46Å; K156-T184 HydrophobicContact CG-CG2 4.12Å |
| 157 | T | 95.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 161.4 | -172.8 | -95.3 | 0 | 0 | 0 | 0 | 109.3 | Q183 | T157-Q183 PolarHBondContact N-O 3.49Å; T157-Q183 CarbonylContact O-C 3.58Å; T157-Q183 WeakPolarHBondContact O-CA 3.38Å; T157-Q183 WeakPolarHBondContact O-CB 3.29Å; T157-Q183 PolarHBondContact O-N 3.43Å |
| 158 | E | 95.6 | Very high | 97.1 | Very high | 144 Ų | 144 | 77.1 Ų | 77.1 | 67% | 0.673 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.2 | 168.9 | -72.7 | -174.3 | 177.8 | 0 | 0 | 110.5 | V180 | E158-V180 HydrophobicContact CB-CG1 3.61Å; E158-V180 HydrophobicContact CG-CG1 4.1Å; E158-V180 WeakPolarHBondContact OE2-CG1 3.32Å |
| 159 | S | 96.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 78.1 Ų | 78.1 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 159 | 176.1 | 75.8 | 0 | 0 | 0 | 0 | 111 | Q181 | S159-Q181 WeakPolarHBondContact CB-O 3.3Å; S159-Q181 PolarHBondContact N-O 2.86Å; S159-Q181 PolarHBondContact OG-N 3.13Å |
| 160 | C | 95.9 | Very high | 97.2 | Very high | 106 Ų | 106 | 88.9 Ų | 88.9 | 72% | 0.716 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 142.6 | 166.8 | 66 | 0 | 0 | 0 | 0 | 110.4 | K162 | C160-K162 PolarHBondContact O-N 3.49Š|
| 161 | P | 97.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 91.2 Ų | 91.2 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | trans | -65.8 | 112.3 | -176 | 24.3 | -33 | 0 | 0 | 0 | 110.2 | T178 V180 | P161-T178 HydrophobicContact CB-CG2 3.63Å; P161-V180 HydrophobicContact CB-CG2 4.12Å | ||
| 162 | K | 97 | Very high | 97 | Very high | 136 Ų | 136 | 103.4 Ų | 103.4 | 59% | 0.591 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120 | 179.4 | -172.8 | 173.2 | -179 | 175 | 0 | 110.1 | C160 H164 I179 | C160-K162 PolarHBondContact O-N 3.49Å; K162-H164 PolarHBondContact O-N 2.93Å; K162-I179 PolarHBondContact N-O 3.29Å; K162-I179 PolarHBondContact O-N 3.47Å |
| 163 | I | 97.6 | Very high | 97 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.8 | 177 | -59.7 | 174.6 | 0 | 0 | 0 | 109.1 | K176 | I163-K176 HydrophobicContact CG2-CD 4.26Å; I163-K176 HydrophobicContact CG2-CG 3.94Å |
| 164 | H | 97.7 | Very high | 96.9 | Very high | 100 Ų | 100 | 111.5 Ų | 111.5 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 109.8 | 171.2 | -176 | -92.9 | 0 | 0 | 0 | 109.7 | K162 V166 R177 I179 | K162-H164 PolarHBondContact O-N 2.93Å; H164-V166 WeakPolarHBondContact CE1-CG2 3.48Å; H164-R177 PolarHBondContact N-O 3.49Å; H164-R177 PolarHBondContact O-N 2.98Å; H164-I179 HydrophobicContact CB-CD1 3.8Å; H164-I179 HydrophobicContact CB-CG1 4.42Å |
| 165 | M | 97.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 114.3 Ų | 114.3 | 49% | 0.493 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.1 | -179 | -178.8 | 152.9 | 157.1 | 0 | 0 | 110.7 | Q174 K175 | M165-Q174 HydrophobicContact CE-CG 3.93Å; M165-K175 CarbonylContact C-O 3.6Å; M165-K175 WeakPolarHBondContact CA-O 3.42Å |
| 166 | V | 97.8 | Very high | 97 | Very high | 60 Ų | 60 | 116.6 Ų | 116.6 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | H164 F173 Q174 K175 | H164-V166 WeakPolarHBondContact CE1-CG2 3.48Å; V166-F173 HydrophobicContact CB-CE1 4.33Å; V166-F173 HydrophobicContact CG1-CE1 3.81Å; V166-Q174 CarbonylContact O-C 3.57Å; V166-Q174 WeakPolarHBondContact O-CA 3.41Å; V166-K175 PolarHBondContact N-O 3.41Å; V166-K175 PolarHBondContact O-N 3.32Å |
| 167 | F | 98.1 | Very high | 97.1 | Very high | 126 Ų | 126 | 121 Ų | 121 | 55% | 0.553 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.1 | -180 | 174.6 | -102.5 | 0 | 0 | 0 | 109.9 | K169 F173 Q174 | F167-K169 HydrophobicContact CE1-CB 4.06Å; F167-F173 WeakPolarHBondContact CA-O 3.28Å; F167-Q174 HydrophobicContact CD2-CB 4.01Å; F167-Q174 HydrophobicContact CD2-CG 4.11Å |
| 168 | W | 97.8 | Very high | 97.2 | Very high | 143 Ų | 143 | 122 Ų | 122 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.9 | 175 | -170.8 | 10.2 | 0 | 0 | 0 | 110.4 | R170 H171 F173 | W168-R170 PolarHBondContact O-N 3.03Å; W168-H171 HydrophobicContact CB-CB 4.25Å; W168-H171 AromaticContact CD1-CG 3.95Å; W168-H171 AromaticContact CD1-ND1 3.45Å; W168-H171 HydrophobicContact CD2-CB 3.64Å; W168-H171 AromaticContact CD2-CD2 3.92Å; W168-H171 AromaticContact CD2-CG 3.48Å; W168-H171 VanDerWaalsContact CD2-CG 3.48Å; W168-H171 AromaticContact CD2-ND1 3.76Å; W168-H171 AromaticContact CE2-CD2 3.53Å; W168-H171 AromaticContact CE2-CE1 3.48Å; W168-H171 VanDerWaalsContact CE2-CE1 3.48Å; W168-H171 AromaticContact CE2-CG 3.41Å; W168-H171 VanDerWaalsContact CE2-CG 3.41Å; W168-H171 AromaticContact CE2-ND1 3.37Å; W168-H171 AromaticContact CE2-NE2 3.59Å; W168-H171 HydrophobicContact CE3-CB 3.85Å; W168-H171 AromaticContact CE3-CG 3.94Å; W168-H171 HydrophobicContact CG-CB 3.82Å; W168-H171 AromaticContact CG-CG 3.85Å; W168-H171 AromaticContact CG-ND1 3.82Å; W168-H171 AromaticContact CH2-CD2 3.68Å; W168-H171 AromaticContact CH2-NE2 3.98Å; W168-H171 AromaticContact CZ2-CD2 3.42Å; W168-H171 VanDerWaalsContact CZ2-CD2 3.42Å; W168-H171 WeakPolarHBondContact CZ2-CD2 3.31Å; W168-H171 AromaticContact CZ2-CE1 3.69Å; W168-H171 AromaticContact CZ2-CG 3.82Å; W168-H171 AromaticContact CZ2-ND1 3.97Å; W168-H171 AromaticContact CZ2-NE2 3.34Å; W168-H171 VanDerWaalsContact CZ2-NE2 3.34Å; W168-H171 WeakPolarHBondContact CZ2-NE2 3.46Å; W168-H171 HydrophobicContact CZ3-CB 4.47Å; W168-H171 AromaticContact NE1-CE1 3.3Å; W168-H171 PolarHBondContact NE1-CE1 3.04Å; W168-H171 VanDerWaalsContact NE1-CE1 3.3Å; W168-H171 AromaticContact NE1-CG 3.7Å; W168-H171 AromaticContact NE1-ND1 3.15Å; W168-H171 PolarHBondContact NE1-ND1 3.13Å; W168-H171 VanDerWaalsContact NE1-ND1 3.15Å; W168-H171 AromaticContact NE1-NE2 3.9Å; W168-H171 PolarHBondContact O-N 3.38Å; W168-F173 HydrophobicContact CB-CB 4.02Å; W168-F173 HydrophobicContact CB-CD1 3.85Å; W168-F173 HydrophobicContact CB-CG 4.32Å; W168-F173 PolarHBondContact N-O 2.98Å |
| 169 | K | 97.8 | Very high | 97.3 | Very high | 138 Ų | 138 | 117.6 Ų | 117.6 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.7 | -176.6 | -177.3 | 173.9 | -178.1 | 178.1 | 0 | 111.3 | F167 H171 | F167-K169 HydrophobicContact CE1-CB 4.06Å; K169-H171 PolarHBondContact O-N 3.1Å; K169-H171 VanDerWaalsContact O-N 3.08Å; K169-H171 PolarHBondContact O-ND1 3.32Å |
| 170 | R | 96.5 | Very high | 97.3 | Very high | 227 Ų | 227 | 120.1 Ų | 120.1 | 86% | 0.857 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.6 | 5.2 | 178.4 | -64.1 | 169.5 | -176.2 | 176.4 | 0.3 | 116 | W168 | W168-R170 PolarHBondContact O-N 3.03Š|
| 171 | H | 97.1 | Very high | 97.3 | Very high | 105 Ų | 105 | 118.7 Ų | 118.7 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.6 | 178.5 | -67.3 | 74.8 | 0 | 0 | 0 | 112.9 | W168 K169 F173 | W168-H171 HydrophobicContact CB-CB 4.25Å; W168-H171 AromaticContact CD1-CG 3.95Å; W168-H171 AromaticContact CD1-ND1 3.45Å; W168-H171 HydrophobicContact CD2-CB 3.64Å; W168-H171 AromaticContact CD2-CD2 3.92Å; W168-H171 AromaticContact CD2-CG 3.48Å; W168-H171 VanDerWaalsContact CD2-CG 3.48Å; W168-H171 AromaticContact CD2-ND1 3.76Å; W168-H171 AromaticContact CE2-CD2 3.53Å; W168-H171 AromaticContact CE2-CE1 3.48Å; W168-H171 VanDerWaalsContact CE2-CE1 3.48Å; W168-H171 AromaticContact CE2-CG 3.41Å; W168-H171 VanDerWaalsContact CE2-CG 3.41Å; W168-H171 AromaticContact CE2-ND1 3.37Å; W168-H171 AromaticContact CE2-NE2 3.59Å; W168-H171 HydrophobicContact CE3-CB 3.85Å; W168-H171 AromaticContact CE3-CG 3.94Å; W168-H171 HydrophobicContact CG-CB 3.82Å; W168-H171 AromaticContact CG-CG 3.85Å; W168-H171 AromaticContact CG-ND1 3.82Å; W168-H171 AromaticContact CH2-CD2 3.68Å; W168-H171 AromaticContact CH2-NE2 3.98Å; W168-H171 AromaticContact CZ2-CD2 3.42Å; W168-H171 VanDerWaalsContact CZ2-CD2 3.42Å; W168-H171 WeakPolarHBondContact CZ2-CD2 3.31Å; W168-H171 AromaticContact CZ2-CE1 3.69Å; W168-H171 AromaticContact CZ2-CG 3.82Å; W168-H171 AromaticContact CZ2-ND1 3.97Å; W168-H171 AromaticContact CZ2-NE2 3.34Å; W168-H171 VanDerWaalsContact CZ2-NE2 3.34Å; W168-H171 WeakPolarHBondContact CZ2-NE2 3.46Å; W168-H171 HydrophobicContact CZ3-CB 4.47Å; W168-H171 AromaticContact NE1-CE1 3.3Å; W168-H171 PolarHBondContact NE1-CE1 3.04Å; W168-H171 VanDerWaalsContact NE1-CE1 3.3Å; W168-H171 AromaticContact NE1-CG 3.7Å; W168-H171 AromaticContact NE1-ND1 3.15Å; W168-H171 PolarHBondContact NE1-ND1 3.13Å; W168-H171 VanDerWaalsContact NE1-ND1 3.15Å; W168-H171 AromaticContact NE1-NE2 3.9Å; W168-H171 PolarHBondContact O-N 3.38Å; K169-H171 PolarHBondContact O-N 3.1Å; K169-H171 VanDerWaalsContact O-N 3.08Å; K169-H171 PolarHBondContact O-ND1 3.32Å; H171-F173 HydrophobicContact CB-CB 4.45Å; H171-F173 PolarHBondContact O-N 3.07Å |
| 172 | R | 95.9 | Very high | 97.2 | Very high | 257 Ų | 257 | 117.7 Ų | 117.7 | 97% | 0.97 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 35.5 | -173.8 | -63.9 | -174.4 | -179.1 | 177.6 | 0.9 | 112.9 | ||
| 173 | F | 97.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 112.6 Ų | 112.6 | 30% | 0.303 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.7 | -175.9 | 178.7 | -86.6 | 0 | 0 | 0 | 109.7 | V166 F167 W168 H171 K175 | V166-F173 HydrophobicContact CB-CE1 4.33Å; V166-F173 HydrophobicContact CG1-CE1 3.81Å; F167-F173 WeakPolarHBondContact CA-O 3.28Å; W168-F173 HydrophobicContact CB-CB 4.02Å; W168-F173 HydrophobicContact CB-CD1 3.85Å; W168-F173 HydrophobicContact CB-CG 4.32Å; W168-F173 PolarHBondContact N-O 2.98Å; H171-F173 HydrophobicContact CB-CB 4.45Å; H171-F173 PolarHBondContact O-N 3.07Å; F173-K175 HydrophobicContact CE1-CG 4.49Å; F173-K175 HydrophobicContact CE2-CD 3.89Å; F173-K175 HydrophobicContact CE2-CG 4.29Å; F173-K175 HydrophobicContact CZ-CD 3.69Å; F173-K175 HydrophobicContact CZ-CG 4.09Å |
| 174 | Q | 96.9 | Very high | 97.2 | Very high | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 121.7 | 176 | -175.6 | 177.7 | -18.7 | 0 | 0 | 108 | M165 V166 F167 | M165-Q174 HydrophobicContact CE-CG 3.93Å; V166-Q174 CarbonylContact O-C 3.57Å; V166-Q174 WeakPolarHBondContact O-CA 3.41Å; F167-Q174 HydrophobicContact CD2-CB 4.01Å; F167-Q174 HydrophobicContact CD2-CG 4.11Å |
| 175 | K | 97.4 | Very high | 97.2 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.4 | 178 | -66.6 | -173.1 | 176.6 | 179.5 | 0 | 109.3 | M165 V166 F173 | M165-K175 CarbonylContact C-O 3.6Å; M165-K175 WeakPolarHBondContact CA-O 3.42Å; V166-K175 PolarHBondContact N-O 3.41Å; V166-K175 PolarHBondContact O-N 3.32Å; F173-K175 HydrophobicContact CE1-CG 4.49Å; F173-K175 HydrophobicContact CE2-CD 3.89Å; F173-K175 HydrophobicContact CE2-CG 4.29Å; F173-K175 HydrophobicContact CZ-CD 3.69Å; F173-K175 HydrophobicContact CZ-CG 4.09Å |
| 176 | K | 97.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 99 Ų | 99 | 61% | 0.609 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.7 | 174.3 | -176.6 | -177.9 | 177.2 | -178 | 0 | 108.5 | I163 | I163-K176 HydrophobicContact CG2-CD 4.26Å; I163-K176 HydrophobicContact CG2-CG 3.94Å |
| 177 | R | 97.7 | Very high | 97.2 | Very high | 171 Ų | 171 | 101.4 Ų | 101.4 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.1 | 174.3 | -178.9 | 179.4 | 178.1 | 179.6 | 0.3 | 108.7 | H164 I179 | H164-R177 PolarHBondContact N-O 3.49Å; H164-R177 PolarHBondContact O-N 2.98Å; R177-I179 HydrophobicContact CG-CG1 3.99Å |
| 178 | T | 97.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 95.4 Ų | 95.4 | 49% | 0.485 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.8 | 166.6 | -54.1 | 0 | 0 | 0 | 0 | 108 | P161 V180 | P161-T178 HydrophobicContact CB-CG2 3.63Å; T178-V180 HydrophobicContact CG2-CG2 4.45Å |
| 179 | I | 97.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.2 | -179.7 | -56.5 | 174.6 | 0 | 0 | 0 | 107.1 | K162 H164 R177 Q181 | K162-I179 PolarHBondContact N-O 3.29Å; K162-I179 PolarHBondContact O-N 3.47Å; H164-I179 HydrophobicContact CB-CD1 3.8Å; H164-I179 HydrophobicContact CB-CG1 4.42Å; R177-I179 HydrophobicContact CG-CG1 3.99Å; I179-Q181 HydrophobicContact CG2-CG 4.23Å |
| 180 | V | 96.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | trans | -122.1 | 125.7 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 106.1 | E158 P161 T178 | E158-V180 HydrophobicContact CB-CG1 3.61Å; E158-V180 HydrophobicContact CG-CG1 4.1Å; E158-V180 WeakPolarHBondContact OE2-CG1 3.32Å; P161-V180 HydrophobicContact CB-CG2 4.12Å; T178-V180 HydrophobicContact CG2-CG2 4.45Å | ||
| 181 | Q | 95.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | trans | -106.3 | 136.7 | -177.1 | -64 | 176.5 | -84.7 | 0 | 0 | 109.3 | S159 I179 | S159-Q181 WeakPolarHBondContact CB-O 3.3Å; S159-Q181 PolarHBondContact N-O 2.86Å; S159-Q181 PolarHBondContact OG-N 3.13Å; I179-Q181 HydrophobicContact CG2-CG 4.23Å | ||
| 182 | P | 96.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.4 | 171.5 | 29.7 | -33.9 | 0 | 0 | 0 | 109.6 | E110 H112 | E110-P182 CarbonylContact C-O 3.56Å; H112-P182 HydrophobicContact CB-CG 4.45Å |
| 183 | Q | 96.7 | Very high | 97 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.9 | 179.6 | -61.9 | -176 | -30.5 | 0 | 0 | 109.6 | L108 V109 K156 T157 | L108-Q183 HydrophobicContact CD1-CB 3.94Å; V109-Q183 CarbonylContact O-C 3.53Å; V109-Q183 VanDerWaalsContact O-CA 3.32Å; V109-Q183 WeakPolarHBondContact O-CA 3.49Å; K156-Q183 CarbonylContact C-O 3.58Å; K156-Q183 WeakPolarHBondContact CA-O 3.46Å; T157-Q183 PolarHBondContact N-O 3.49Å; T157-Q183 CarbonylContact O-C 3.58Å; T157-Q183 WeakPolarHBondContact O-CA 3.38Å; T157-Q183 WeakPolarHBondContact O-CB 3.29Å; T157-Q183 PolarHBondContact O-N 3.43Å |
| 184 | T | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.3 | 175 | -49.9 | 0 | 0 | 0 | 0 | 108.9 | V109 N111 I113 V153 K156 L186 | V109-T184 PolarHBondContact N-O 3.24Å; V109-T184 PolarHBondContact O-N 3.2Å; N111-T184 PolarHBondContact O-OG1 3.06Å; I113-T184 HydrophobicContact CB-CG2 4.46Å; I113-T184 HydrophobicContact CD1-CG2 3.84Å; I113-T184 HydrophobicContact CG1-CG2 4.39Å; V153-T184 HydrophobicContact CG1-CG2 3.69Å; K156-T184 HydrophobicContact CG-CG2 4.12Å; T184-L186 HydrophobicContact CG2-CD2 4.08Å |
| 185 | V | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.6 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | L106 I107 L108 I154 E155 | L106-V185 HydrophobicContact CB-CG1 4.48Å; L106-V185 HydrophobicContact CD2-CG1 4.39Å; I107-V185 WeakPolarHBondContact O-CA 3.41Å; L108-V185 HydrophobicContact CD1-CG2 3.67Å; I154-V185 HydrophobicContact CB-CG1 4.48Å; I154-V185 PolarHBondContact N-O 3.38Å; E155-V185 HydrophobicContact CG-CB 3.65Å; E155-V185 HydrophobicContact CG-CG2 3.67Å; E155-V185 PolarHBondContact O-N 2.96Å; E155-V185 WeakPolarHBondContact OE1-CG2 3.34Å |
| 186 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.2 | 173.9 | -52.4 | 174.5 | 0 | 0 | 0 | 109.7 | F94 L106 I107 V109 I113 I121 T152 V153 T184 | F94-L186 HydrophobicContact CD1-CD1 4.19Å; F94-L186 HydrophobicContact CE1-CD1 3.57Å; F94-L186 HydrophobicContact CZ-CD1 4.03Å; L106-L186 CarbonylContact C-O 3.54Å; L106-L186 WeakPolarHBondContact CA-O 3.33Å; I107-L186 HydrophobicContact CD1-CB 4.12Å; I107-L186 HydrophobicContact CD1-CD1 3.97Å; I107-L186 HydrophobicContact CG1-CB 3.65Å; I107-L186 HydrophobicContact CG1-CD1 4.28Å; I107-L186 HydrophobicContact CG1-CG 4.34Å; I107-L186 PolarHBondContact N-O 3.16Å; I107-L186 PolarHBondContact O-N 3.03Å; V109-L186 HydrophobicContact CG2-CD1 4.08Å; V109-L186 HydrophobicContact CG2-CG 4.47Å; I113-L186 HydrophobicContact CD1-CD1 3.94Å; I113-L186 HydrophobicContact CD1-CD2 3.93Å; I113-L186 HydrophobicContact CD1-CG 4.21Å; I121-L186 HydrophobicContact CD1-CD1 3.98Å; I121-L186 HydrophobicContact CD1-CD2 4Å; T152-L186 CarbonylContact O-C 3.56Å; T152-L186 WeakPolarHBondContact O-CA 3.42Å; V153-L186 HydrophobicContact CB-CD2 4.11Å; V153-L186 HydrophobicContact CG1-CD2 4.4Å; V153-L186 HydrophobicContact CG2-CD2 3.61Å; T184-L186 HydrophobicContact CG2-CD2 4.08Å |
| 187 | R | 98.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 54.4 Ų | 54.4 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.2 | 167.8 | -178.9 | 172.1 | 178 | 170.9 | 0.8 | 110 | E104 D105 L106 A151 T152 I154 | E104-R187 IonicContact OE2-CZ 3.06Å; E104-R187 IonicContact OE2-NE 2.72Å; E104-R187 PolarHBondContact OE2-NE 3.48Å; E104-R187 IonicContact OE2-NH2 2.63Å; E104-R187 PolarHBondContact OE2-NH2 3.03Å; D105-R187 CarbonylContact O-C 3.51Å; D105-R187 WeakPolarHBondContact O-CA 3.45Å; L106-R187 HydrophobicContact CD2-CB 3.62Å; L106-R187 HydrophobicContact CD2-CG 3.91Å; A151-R187 CarbonylContact C-O 3.53Å; A151-R187 WeakPolarHBondContact CA-O 3.27Å; A151-R187 WeakPolarHBondContact CB-O 3.3Å; T152-R187 PolarHBondContact N-O 2.84Å; T152-R187 PolarHBondContact O-N 2.74Å; I154-R187 HydrophobicContact CD1-CB 3.67Å; I154-R187 HydrophobicContact CD1-CG 4.45Å; I154-R187 HydrophobicContact CG1-CB 3.96Å |
| 188 | I | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.9 | 172.9 | -54.4 | -55.1 | 0 | 0 | 0 | 107.8 | V101 T102 E104 D105 I107 L123 V149 A151 I191 | V101-I188 HydrophobicContact CB-CG1 4Å; V101-I188 HydrophobicContact CG1-CD1 4.43Å; V101-I188 HydrophobicContact CG1-CG1 4.08Å; T102-I188 WeakPolarHBondContact O-CB 3.49Å; E104-I188 WeakPolarHBondContact CA-O 3.37Å; E104-I188 PolarHBondContact N-O 3.42Å; D105-I188 PolarHBondContact O-N 3.1Å; I107-I188 HydrophobicContact CD1-CD1 4.18Å; L123-I188 HydrophobicContact CD1-CD1 3.84Å; V149-I188 HydrophobicContact CG1-CD1 4.49Å; V149-I188 HydrophobicContact CG1-CG2 4.07Å; A151-I188 HydrophobicContact CB-CD1 3.81Å; I188-I191 HydrophobicContact CG2-CG1 4.33Å |
| 189 | N | 97.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.219 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -56.6 | -178.1 | -61.1 | -20.5 | 0 | 0 | 0 | 110 | K150 T152 | K150-N189 HydrophobicContact CB-CB 4.33Å; K150-N189 PolarHBondContact O-N 3.08Å; T152-N189 PolarHBondContact OG1-ND2 3.36Å |
| 190 | S | 97 | Very high | 93.7 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 146.4 | -177.9 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | N103 K150 E192 | N103-S190 WeakPolarHBondContact OD1-CA 3.4Å; K150-S190 PolarHBondContact N-O 2.85Å; K150-S190 PolarHBondContact O-N 3.49Å; S190-E192 PolarHBondContact OG-OE1 3.25Å |
| 191 | I | 97.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.9 | 167.8 | -58.7 | 166.4 | 0 | 0 | 0 | 106.3 | L88 A90 N103 V147 V149 I188 | L88-I191 HydrophobicContact CB-CB 4.41Å; L88-I191 HydrophobicContact CB-CG2 4.23Å; L88-I191 HydrophobicContact CD1-CG2 4.2Å; A90-I191 HydrophobicContact CB-CD1 3.92Å; A90-I191 HydrophobicContact CB-CG1 4.46Å; A90-I191 HydrophobicContact CB-CG2 4.35Å; N103-I191 WeakPolarHBondContact OD1-CG1 3.45Å; N103-I191 PolarHBondContact OD1-N 2.72Å; V147-I191 HydrophobicContact CG1-CG2 4.48Å; V149-I191 HydrophobicContact CG1-CG1 4.34Å; V149-I191 HydrophobicContact CG2-CG1 4.24Å; V149-I191 HydrophobicContact CG2-CG2 4.29Å; I188-I191 HydrophobicContact CG2-CG1 4.33Å |
| 192 | E | 95 | Very high | 93.4 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.5 | 179.8 | -68.1 | 170.3 | -170.3 | 0 | 0 | 110.2 | V147 R148 K150 S190 Y194 | V147-E192 WeakPolarHBondContact CA-O 3.04Å; R148-E192 HydrophobicContact CB-CB 4.35Å; R148-E192 PolarHBondContact N-O 2.69Å; R148-E192 PolarHBondContact O-N 3.1Å; K150-E192 VanDerWaalsContact CE-OE1 3.3Å; K150-E192 WeakPolarHBondContact CE-OE1 3.44Å; K150-E192 IonicContact NZ-OE1 2.64Å; K150-E192 PolarHBondContact NZ-OE1 3.5Å; K150-E192 IonicContact NZ-OE2 3.34Å; K150-E192 PolarHBondContact NZ-OE2 3.35Å; S190-E192 PolarHBondContact OG-OE1 3.25Å; E192-Y194 HydrophobicContact CB-CE2 3.9Å; E192-Y194 PolarHBondContact OE2-OH 3.14Å |
| 193 | L | 94.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.5 | 177.7 | -170.5 | 69.5 | 0 | 0 | 0 | 109.2 | I80 F85 L88 F134 L136 L146 V147 | I80-L193 HydrophobicContact CB-CD2 4.45Å; I80-L193 HydrophobicContact CD1-CD2 3.71Å; I80-L193 HydrophobicContact CD1-CG 4.35Å; I80-L193 HydrophobicContact CG1-CD2 3.66Å; I80-L193 HydrophobicContact CG2-CD2 3.95Å; I80-L193 HydrophobicContact CG2-CG 4Å; F85-L193 HydrophobicContact CZ-CB 4.47Å; L88-L193 HydrophobicContact CD1-CB 4.2Å; F134-L193 HydrophobicContact CE2-CD2 3.9Å; F134-L193 HydrophobicContact CZ-CD2 3.95Å; L136-L193 HydrophobicContact CD1-CD1 3.64Å; L136-L193 HydrophobicContact CD1-CD2 4.15Å; L136-L193 HydrophobicContact CD1-CG 4.48Å; L146-L193 HydrophobicContact CD1-CD1 4.25Å; L146-L193 HydrophobicContact CG-CD1 4.19Å; L146-L193 WeakPolarHBondContact O-CA 3.37Å; V147-L193 HydrophobicContact CG2-CD1 3.8Å |
| 194 | Y | 93.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 52 Ų | 52 | 28% | 0.275 | 27% | 0.269 | S | S | . | . | trans | -116.1 | 142 | -177.6 | -63.7 | -88.2 | 0 | 0 | 0 | 110.7 | E145 L146 R148 E192 R196 | E145-Y194 WeakPolarHBondContact O-CB 3.49Å; L146-Y194 VanDerWaalsContact CD1-O 3.25Å; L146-Y194 WeakPolarHBondContact CD1-O 3.32Å; L146-Y194 PolarHBondContact O-N 2.94Å; R148-Y194 HydrophobicContact CB-CE2 4.25Å; R148-Y194 HydrophobicContact CG-CE2 3.89Å; E192-Y194 HydrophobicContact CB-CE2 3.9Å; E192-Y194 PolarHBondContact OE2-OH 3.14Å; Y194-R196 VanDerWaalsContact C-N 3.32Å; Y194-R196 PolarHBondContact O-N 2.86Å | ||
| 195 | P | 89.1 | Confident | 92.7 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -76.6 | 82.8 | -179.6 | 31.4 | -34.8 | 0 | 0 | 0 | 110.7 | I80 E81 | I80-P195 HydrophobicContact CG2-CB 4.08Å; E81-P195 HydrophobicContact CB-CB 4.41Å; E81-P195 HydrophobicContact CG-CB 3.3Å; E81-P195 HydrophobicContact CG-CG 3.81Å |
| 196 | R | 87.5 | Confident | 92.4 | Very high | 152 Ų | 152 | 58.7 Ų | 58.7 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | trans | -138.7 | 46.6 | 178.2 | -64.1 | -171.8 | -178.1 | -169.7 | 1.7 | 110.6 | E145 Y194 | E145-R196 IonicContact OE2-CZ 2.75Å; E145-R196 IonicContact OE2-NH1 3.88Å; E145-R196 PolarHBondContact OE2-NH1 3.27Å; Y194-R196 VanDerWaalsContact C-N 3.32Å; Y194-R196 PolarHBondContact O-N 2.86Å | ||
| 197 | L | 84.6 | Confident | 91.9 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | trans | -84.4 | 121.3 | 172.9 | -63.5 | 179.1 | 0 | 0 | 0 | 108.9 | V73 V76 N77 I80 L136 L146 | V73-L197 HydrophobicContact CG1-CB 3.95Å; V76-L197 HydrophobicContact CB-CD1 4.33Å; V76-L197 HydrophobicContact CG1-CD1 3.83Å; N77-L197 HydrophobicContact CB-CB 4.31Å; N77-L197 HydrophobicContact CB-CD1 4.2Å; I80-L197 HydrophobicContact CD1-CD1 3.59Å; I80-L197 HydrophobicContact CD1-CG 4.23Å; L136-L197 HydrophobicContact CD1-CD2 4.45Å; L136-L197 HydrophobicContact CD2-CD1 4.36Å; L136-L197 HydrophobicContact CD2-CD2 4.19Å; L146-L197 HydrophobicContact CD1-CD2 3.67Å; L146-L197 HydrophobicContact CD1-CG 4.27Å; L146-L197 HydrophobicContact CD2-CD2 3.96Å; L146-L197 HydrophobicContact CG-CD2 4.49Å | ||
| 198 | S | 71 | Confident | 91.4 | Very high | 177 Ų | 177 | 59.3 Ų | 59.3 | 100% | 1.238 | 32% | 0.32 | S | S | * | . | trans | -106.2 | 0 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 198 of 198 residues in 184 ms
(Link to these results)