| 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 | 32.7 | Very low | 30.6 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 100% | 1.212 | 86% | 0.86 | S | S | * | * | 0 | 135.5 | 0 | -72.1 | 174.2 | 105.3 | 0 | 0 | 107.8 | |||||
| 2 | S | 35.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | trans | 65.7 | 109.6 | 179.1 | -134.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | S | 36.1 | Very low | 30.2 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.1 | 168.2 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 4 | G | 30.2 | Very low | 30.3 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 5 | C | 27.3 | Very low | 30 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 82% | 0.824 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.1 | 171.4 | -56.1 | 0 | 0 | 0 | 0 | 112 | ||
| 6 | C | 32.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 92% | 0.919 | 85% | 0.846 | S | S | * | * | trans | -141 | 102.3 | 145.1 | -80.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 7 | S | 26.1 | Very low | 30.1 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 84% | 0.841 | S | S | * | * | trans | -81.2 | 164.1 | 157.7 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | D | 26.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | trans | 91.3 | 102.6 | 171.4 | -51 | -23.9 | 0 | 0 | 0 | 113.8 | ||||
| 9 | D | 32 | Very low | 29.8 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | -163.5 | 145.2 | 119.9 | -88 | -29 | 0 | 0 | 0 | 111.3 | |||||
| 10 | Q | 29.4 | Very low | 29.6 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -76 | 159 | -152.1 | -74.4 | 153.9 | -43.7 | 0 | 0 | 115.6 | D12 | Q10-D12 PolarHBondContact O-N 3.33Š| ||
| 11 | D | 28 | Very low | 29.4 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | trans | -58 | 104.5 | 169.5 | -152.5 | 5.6 | 0 | 0 | 0 | 109.9 | G13 | D11-G13 PolarHBondContact O-N 3.39Š| ||
| 12 | D | 30.1 | Very low | 29 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -68.9 | 99.1 | 174.7 | -80 | -36 | 0 | 0 | 0 | 109.8 | Q10 D14 | Q10-D12 PolarHBondContact O-N 3.33Å; D12-D14 PolarHBondContact O-N 3.37Å | ||
| 13 | G | 27 | Very low | 28.6 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -66.6 | 113.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D11 E15 | D11-G13 PolarHBondContact O-N 3.39Å; G13-E15 PolarHBondContact O-N 3.22Å | ||
| 14 | D | 31.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -67.8 | 94.6 | 168.1 | -77.3 | -39.2 | 0 | 0 | 0 | 109.5 | D12 D16 | D12-D14 PolarHBondContact O-N 3.37Å; D14-D16 PolarHBondContact O-N 3.47Å | ||
| 15 | E | 26 | Very low | 27.8 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -67.9 | 105.7 | 159.2 | -70.5 | -176 | 159.9 | 0 | 0 | 109.5 | G13 | G13-E15 PolarHBondContact O-N 3.22Š| ||
| 16 | D | 32.6 | Very low | 27.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -105.6 | 110.7 | 159.1 | -92.8 | -31.8 | 0 | 0 | 0 | 108.3 | D14 | D14-D16 PolarHBondContact O-N 3.47Š| ||
| 17 | S | 28.4 | Very low | 27.4 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 131.3 | -169.7 | -39.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | D | 23.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 128.5 | 157.2 | -83.8 | -40.5 | 0 | 0 | 0 | 110.3 | ||||
| 19 | S | 30.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -118.7 | 92.8 | 159.6 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | S | 25.2 | Very low | 26.8 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 39.4 | 92.4 | 127.8 | -43.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 21 | I | 26.7 | Very low | 26.8 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -128.4 | 83.9 | 141.5 | -58.2 | -178.6 | 0 | 0 | 0 | 107.3 | ||||
| 22 | H | 23.4 | Very low | 27 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -82.5 | 117.6 | 161.7 | -115.1 | -76.7 | 0 | 0 | 0 | 107.6 | ||||
| 23 | S | 27 | Very low | 26.9 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -152.2 | 121.8 | 150.7 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | A | 22.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -58.3 | 139.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 25 | I | 27 | Very low | 27 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -140.4 | 103 | 140.7 | -59.3 | -175.5 | 0 | 0 | 0 | 106.7 | ||||
| 26 | H | 22.8 | Very low | 27.1 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | -62 | 126 | 157.8 | -95.2 | -91.3 | 0 | 0 | 0 | 108.1 | ||||
| 27 | N | 28 | Very low | 26.9 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -152.6 | 104.2 | 152.4 | -91.8 | -32.1 | 0 | 0 | 0 | 107.4 | S29 | N27-S29 PolarHBondContact O-N 3.15Š| ||
| 28 | D | 21.3 | Very low | 26.7 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 118.8 | 170.1 | -65.5 | -50.4 | 0 | 0 | 0 | 109.4 | ||||
| 29 | S | 28.1 | Very low | 26.9 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -161.9 | 106.2 | 157.6 | -77.5 | 0 | 0 | 0 | 0 | 107.6 | N27 A31 | N27-S29 PolarHBondContact O-N 3.15Å; S29-A31 PolarHBondContact O-N 3.42Å | ||
| 30 | E | 22.5 | Very low | 26.6 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 97% | 0.967 | 78% | 0.781 | S | S | * | * | trans | -52.7 | 118.5 | 179.3 | -65.9 | 171.9 | 139.4 | 0 | 0 | 111.8 | ||||
| 31 | A | 29.8 | Very low | 26.7 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -150.4 | 147.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S29 | S29-A31 PolarHBondContact O-N 3.42Š| ||
| 32 | P | 32.9 | Very low | 26.8 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | -85.4 | 121.8 | -128.2 | 31 | -34.4 | 0 | 0 | 0 | 113.4 | S34 | P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 3.18Å | |||
| 33 | S | 28.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 27.8 | -179 | 49.5 | 0 | 0 | 0 | 0 | 115 | ||
| 34 | S | 32.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 2.9 | -173 | 67.9 | 0 | 0 | 0 | 0 | 117.7 | P32 Y36 | P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 3.18Å; S34-Y36 PolarHBondContact O-N 3.1Å |
| 35 | L | 28.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -6.3 | -178.7 | -79.3 | 167.5 | 0 | 0 | 0 | 115.6 | ||
| 36 | Y | 27.4 | Very low | 28.2 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 95% | 0.945 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -2.2 | -176.4 | -98.4 | -83 | 0 | 0 | 0 | 116.2 | S34 | S34-Y36 PolarHBondContact O-N 3.1Š|
| 37 | S | 27.7 | Very low | 29.1 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -135.2 | 73.2 | -177.4 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 38 | K | 25.2 | Very low | 29.8 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -177 | 98.3 | 154.3 | -104.5 | 159.5 | -173.7 | -179.2 | 0 | 110.1 | ||||
| 39 | C | 27.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 133 Ų | 133 | 68% | 0.676 | 74% | 0.744 | S | S | * | * | trans | -163.8 | 77.9 | 150.7 | -93 | 0 | 0 | 0 | 0 | 108.6 | K51 | C39-K51 PolarHBondContact SG-NZ 2.79Š| ||
| 40 | I | 24.9 | Very low | 31.8 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -97.1 | 139.9 | 160.8 | -74.6 | 173.2 | 0 | 0 | 0 | 106.8 | ||||
| 41 | N | 26.1 | Very low | 33.1 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | 75.2 | 117.5 | 169.9 | -61.4 | -17.7 | 0 | 0 | 0 | 118.4 | ||||
| 42 | G | 29.4 | Very low | 34.2 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | trans | 163 | 92 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N44 | G42-N44 PolarHBondContact O-N 3.12Š| ||
| 43 | S | 30.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 88% | 0.881 | 66% | 0.66 | S | S | * | * | trans | -60.2 | 99.1 | 172.1 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | N | 27.9 | Very low | 37.3 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | trans | -155.5 | 137.2 | 150.5 | -102 | -26.1 | 0 | 0 | 0 | 107.4 | G42 H46 | G42-N44 PolarHBondContact O-N 3.12Å; N44-H46 PolarHBondContact O-N 2.8Å | ||
| 45 | R | 35.5 | Very low | 39 | Very low | 260 Ų | 260 | 127.5 Ų | 127.5 | 98% | 0.981 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -66.3 | 24.8 | 180 | -66.6 | -179.5 | 175.2 | -177.4 | -1.4 | 113.5 | N47 | R45-N47 PolarHBondContact O-N 3.16Š|
| 46 | H | 36.8 | Very low | 41 | Very low | 128 Ų | 128 | 123 Ų | 123 | 59% | 0.593 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -78.4 | 115.9 | 163.2 | -73.2 | -67 | 0 | 0 | 0 | 107.4 | N44 P48 I50 | N44-H46 PolarHBondContact O-N 2.8Å; H46-P48 WeakPolarHBondContact O-CD 3.37Å; H46-I50 HydrophobicContact CB-CD1 4.41Å |
| 47 | N | 41.2 | Very low | 43.2 | Very low | 86 Ų | 86 | 114 Ų | 114 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | trans | -45.7 | 116.1 | 175.3 | -160.3 | -7.7 | 0 | 0 | 0 | 108.7 | R45 L49 I50 | R45-N47 PolarHBondContact O-N 3.16Å; N47-L49 PolarHBondContact O-N 2.96Å; N47-I50 HydrophobicContact CB-CD1 4.25Å; N47-I50 WeakPolarHBondContact O-CG1 3.43Å; N47-I50 PolarHBondContact O-N 3.19Å; N47-I50 VanDerWaalsContact O-N 3.08Å | ||
| 48 | P | 41.9 | Very low | 45.8 | Very low | 115 Ų | 115 | 115 Ų | 115 | 75% | 0.747 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -61.1 | -7.1 | -168.8 | 19.3 | -31.3 | 0 | 0 | 0 | 114.4 | H46 I50 | H46-P48 WeakPolarHBondContact O-CD 3.37Å; P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 PolarHBondContact O-N 3.13Å |
| 49 | L | 43.8 | Very low | 48.7 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 30% | 0.298 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -74.2 | -12.1 | 175.1 | -62.5 | 173.7 | 0 | 0 | 0 | 114.6 | N47 K51 Y177 L339 | N47-L49 PolarHBondContact O-N 2.96Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.98Å; L49-Y177 HydrophobicContact CB-CD1 4.05Å; L49-Y177 HydrophobicContact CB-CE1 3.75Å; L49-Y177 PolarHBondContact O-OH 3.29Å; L49-L339 HydrophobicContact CD1-CD2 3.64Å |
| 50 | I | 48.1 | Very low | 51.6 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 30% | 0.297 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -70.1 | -17.9 | -174.7 | -67.7 | 167.1 | 0 | 0 | 0 | 113.4 | H46 N47 P48 I52 S53 | H46-I50 HydrophobicContact CB-CD1 4.41Å; N47-I50 HydrophobicContact CB-CD1 4.25Å; N47-I50 WeakPolarHBondContact O-CG1 3.43Å; N47-I50 PolarHBondContact O-N 3.19Å; N47-I50 VanDerWaalsContact O-N 3.08Å; P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 PolarHBondContact O-N 3.13Å; I50-I52 PolarHBondContact O-N 3.15Å; I50-I52 VanDerWaalsContact O-N 3.08Å; I50-S53 PolarHBondContact O-N 3.12Å; I50-S53 PolarHBondContact O-OG 3.22Å |
| 51 | K | 50 | Low | 54.6 | Low | 148 Ų | 148 | 103.6 Ų | 103.6 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.5 | -173.7 | -74.4 | -171.7 | 178.3 | -177 | 0 | 115 | C39 L49 | C39-K51 PolarHBondContact SG-NZ 2.79Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.98Å |
| 52 | I | 53.6 | Low | 57.6 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 40% | 0.395 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.3 | -30 | -174.7 | -61.1 | 166.6 | 0 | 0 | 0 | 112.4 | I50 R54 E55 E56 | I50-I52 PolarHBondContact O-N 3.15Å; I50-I52 VanDerWaalsContact O-N 3.08Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.31Å; I52-E55 PolarHBondContact O-N 2.91Å; I52-E56 HydrophobicContact CG2-CG 4.05Å; I52-E56 PolarHBondContact O-N 3.48Å |
| 53 | S | 61.8 | Low | 60.5 | Low | 17 Ų | 17 | 96.6 Ų | 96.6 | 12% | 0.119 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.2 | -32.4 | -169.6 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | I50 A57 | I50-S53 PolarHBondContact O-N 3.12Å; I50-S53 PolarHBondContact O-OG 3.22Å; S53-A57 PolarHBondContact O-N 3.14Å |
| 54 | R | 64.2 | Low | 63.3 | Low | 215 Ų | 215 | 92.1 Ų | 92.1 | 81% | 0.811 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.3 | -40.5 | 178.3 | -74.8 | -174.1 | -179.9 | 177.4 | 0 | 112.7 | I52 E56 A57 D58 | I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.31Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3Å; R54-A57 PolarHBondContact O-N 3.5Å; R54-D58 PolarHBondContact O-N 3.23Å; R54-D58 VanDerWaalsContact O-N 3.14Å |
| 55 | E | 68.6 | Low | 66.2 | Low | 108 Ų | 108 | 92.3 Ų | 92.3 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 178.9 | -64.9 | 178 | 176.5 | 0 | 0 | 111 | I52 D58 L59 | I52-E55 PolarHBondContact O-N 2.91Å; E55-D58 WeakPolarHBondContact O-CB 3.46Å; E55-D58 PolarHBondContact O-N 3.38Å; E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.41Å |
| 56 | E | 68.9 | Low | 68.6 | Low | 37 Ų | 37 | 82.9 Ų | 82.9 | 17% | 0.173 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -73.8 | -38.1 | 178.9 | -65.3 | 172.7 | 136 | 0 | 0 | 113.5 | I52 R54 D58 L59 C60 R172 | I52-E56 HydrophobicContact CG2-CG 4.05Å; I52-E56 PolarHBondContact O-N 3.48Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3Å; E56-D58 PolarHBondContact O-N 3.04Å; E56-L59 PolarHBondContact O-N 3.2Å; E56-C60 PolarHBondContact O-N 3.12Å; E56-C60 PolarHBondContact O-SG 3.48Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; E56-R172 IonicContact OE1-CZ 3.65Å; E56-R172 IonicContact OE1-NH1 3.54Å; E56-R172 PolarHBondContact OE1-NH1 3.42Å; E56-R172 IonicContact OE1-NH2 3.51Å; E56-R172 PolarHBondContact OE1-NH2 3.24Å; E56-R172 IonicContact OE2-CZ 2.92Å; E56-R172 IonicContact OE2-NH1 3.32Å; E56-R172 PolarHBondContact OE2-NH1 3.33Å; E56-R172 IonicContact OE2-NH2 3.74Å |
| 57 | A | 74.1 | Confident | 71 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S53 R54 C60 N61 | S53-A57 PolarHBondContact O-N 3.14Å; R54-A57 PolarHBondContact O-N 3.5Å; A57-C60 PolarHBondContact O-N 3.46Å; A57-N61 VanDerWaalsContact O-CG 3.29Å; A57-N61 PolarHBondContact O-N 3.26Å; A57-N61 VanDerWaalsContact O-N 3.08Å; A57-N61 PolarHBondContact O-ND2 3.28Å |
| 58 | D | 83.1 | Confident | 73 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 60% | 0.599 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 174.3 | -152.1 | 13.5 | 0 | 0 | 0 | 111.6 | R54 E55 E56 C60 N61 A62 | R54-D58 PolarHBondContact O-N 3.23Å; R54-D58 VanDerWaalsContact O-N 3.14Å; E55-D58 WeakPolarHBondContact O-CB 3.46Å; E55-D58 PolarHBondContact O-N 3.38Å; E56-D58 PolarHBondContact O-N 3.04Å; D58-C60 PolarHBondContact O-N 3.01Å; D58-N61 PolarHBondContact O-N 2.72Å; D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.97Å |
| 59 | L | 86.4 | Confident | 75.1 | Confident | 75 Ų | 75 | 82.2 Ų | 82.2 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 173.6 | -72.4 | 175.3 | 0 | 0 | 0 | 113.2 | E55 E56 N61 A62 F63 Y126 | E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.41Å; E56-L59 PolarHBondContact O-N 3.2Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.02Å; L59-A62 PolarHBondContact O-N 3.37Å; L59-F63 HydrophobicContact CD2-CZ 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CG 3.21Å; L59-F63 PolarHBondContact O-N 3.25Å; L59-Y126 HydrophobicContact CB-CE1 4.2Å; L59-Y126 WeakPolarHBondContact CB-OH 3.44Å |
| 60 | C | 87.3 | Confident | 76.9 | Confident | 30 Ų | 30 | 83.3 Ų | 83.3 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | E56 A57 D58 T64 L127 | E56-C60 PolarHBondContact O-N 3.12Å; E56-C60 PolarHBondContact O-SG 3.48Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; A57-C60 PolarHBondContact O-N 3.46Å; D58-C60 PolarHBondContact O-N 3.01Å; C60-T64 VanDerWaalsContact O-CB 3.3Å; C60-T64 WeakPolarHBondContact O-CB 3.41Å; C60-T64 PolarHBondContact O-N 2.95Å; C60-T64 PolarHBondContact O-OG1 3.46Å; C60-L127 HydrophobicContact CB-CD2 4.36Å; C60-L127 WeakPolarHBondContact O-CD2 3.13Å |
| 61 | N | 87.8 | Confident | 78.2 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 58% | 0.578 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 177.7 | -70.8 | -26.1 | 0 | 0 | 0 | 111.6 | A57 D58 L59 T64 K65 | A57-N61 VanDerWaalsContact O-CG 3.29Å; A57-N61 PolarHBondContact O-N 3.26Å; A57-N61 VanDerWaalsContact O-N 3.08Å; A57-N61 PolarHBondContact O-ND2 3.28Å; D58-N61 PolarHBondContact O-N 2.72Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.02Å; N61-T64 PolarHBondContact O-N 3.35Å; N61-K65 WeakPolarHBondContact O-CB 3.3Å; N61-K65 PolarHBondContact O-N 2.98Å |
| 62 | A | 88.9 | Confident | 79.3 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D58 L59 K65 C66 | D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.97Å; L59-A62 PolarHBondContact O-N 3.37Å; A62-K65 WeakPolarHBondContact O-CB 3.48Å; A62-K65 PolarHBondContact O-N 3.48Å; A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 3.11Å |
| 63 | F | 90.4 | Very high | 80.1 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 22% | 0.219 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.5 | -69.5 | -12.7 | 0 | 0 | 0 | 112.6 | L59 K65 C66 I67 R123 Y126 L127 | L59-F63 HydrophobicContact CD2-CZ 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CG 3.21Å; L59-F63 PolarHBondContact O-N 3.25Å; F63-K65 VanDerWaalsContact C-N 3.28Å; F63-K65 PolarHBondContact O-N 3.2Å; F63-C66 PolarHBondContact O-N 3.36Å; F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.5Å; F63-R123 HydrophobicContact CB-CB 4.22Å; F63-R123 HydrophobicContact CB-CG 4.45Å; F63-R123 HydrophobicContact CD1-CG 3.99Å; F63-R123 HydrophobicContact CD2-CB 4.41Å; F63-R123 HydrophobicContact CD2-CG 4.39Å; F63-R123 HydrophobicContact CE1-CG 4.34Å; F63-R123 HydrophobicContact CG-CB 4.19Å; F63-R123 HydrophobicContact CG-CG 4.02Å; F63-Y126 AromaticContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD1 3.44Å; F63-Y126 VanDerWaalsContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD2 4.34Å; F63-Y126 AromaticContact CD2-CE1 3.97Å; F63-Y126 HydrophobicContact CD2-CE1 3.97Å; F63-Y126 AromaticContact CD2-CG 3.66Å; F63-Y126 HydrophobicContact CD2-CG 3.66Å; F63-Y126 AromaticContact CE2-CD1 3.77Å; F63-Y126 HydrophobicContact CE2-CD1 3.77Å; F63-Y126 AromaticContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CE1 4.12Å; F63-Y126 HydrophobicContact CE2-CE2 4.21Å; F63-Y126 AromaticContact CE2-CG 3.61Å; F63-Y126 HydrophobicContact CE2-CG 3.61Å; F63-L127 HydrophobicContact CB-CD2 4.37Å |
| 64 | T | 88.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 85.9 Ų | 85.9 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 172.8 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | C60 N61 R68 | C60-T64 VanDerWaalsContact O-CB 3.3Å; C60-T64 WeakPolarHBondContact O-CB 3.41Å; C60-T64 PolarHBondContact O-N 2.95Å; C60-T64 PolarHBondContact O-OG1 3.46Å; N61-T64 PolarHBondContact O-N 3.35Å; T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.27Å; T64-R68 PolarHBondContact O-N 3.42Å; T64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | K | 88.7 | Confident | 81.1 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.5 | -49.9 | 175.9 | -174.7 | 174.8 | -179.8 | -177.9 | 0 | 111.4 | N61 A62 F63 I67 R68 H69 | N61-K65 WeakPolarHBondContact O-CB 3.3Å; N61-K65 PolarHBondContact O-N 2.98Å; A62-K65 WeakPolarHBondContact O-CB 3.48Å; A62-K65 PolarHBondContact O-N 3.48Å; F63-K65 VanDerWaalsContact C-N 3.28Å; F63-K65 PolarHBondContact O-N 3.2Å; K65-I67 VanDerWaalsContact C-N 3.31Å; K65-I67 PolarHBondContact O-N 2.91Å; K65-R68 PolarHBondContact O-N 3.01Å; K65-H69 PolarHBondContact O-CD2 2.9Å; K65-H69 PolarHBondContact O-N 3.26Å |
| 66 | C | 86.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 78 Ų | 78 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 178.1 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | A62 F63 H69 D70 | A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 3.11Å; F63-C66 PolarHBondContact O-N 3.36Å; C66-H69 PolarHBondContact O-N 2.91Å; C66-D70 PolarHBondContact O-N 3.34Å |
| 67 | I | 86.4 | Confident | 81.9 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 8% | 0.082 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 179.1 | -70.7 | 169.4 | 0 | 0 | 0 | 110.7 | F63 K65 H69 D70 Y73 Y77 R123 L127 | F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.5Å; K65-I67 VanDerWaalsContact C-N 3.31Å; K65-I67 PolarHBondContact O-N 2.91Å; I67-H69 VanDerWaalsContact C-N 3.28Å; I67-H69 PolarHBondContact O-N 3.33Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 2.84Å; I67-Y73 HydrophobicContact CG2-CD2 3.59Å; I67-Y73 HydrophobicContact CG2-CE2 3.42Å; I67-Y73 VanDerWaalsContact CG2-CE2 3.42Å; I67-Y73 WeakPolarHBondContact O-CB 3.42Å; I67-Y73 VanDerWaalsContact O-CD2 3.27Å; I67-Y73 WeakPolarHBondContact O-CD2 3.49Å; I67-Y77 HydrophobicContact CD1-CD1 4.1Å; I67-Y77 HydrophobicContact CG2-CD1 4.19Å; I67-R123 HydrophobicContact CD1-CB 3.84Å; I67-R123 HydrophobicContact CG1-CB 4.11Å; I67-L127 HydrophobicContact CD1-CD1 3.67Å |
| 68 | R | 85 | Confident | 82.5 | Confident | 156 Ų | 156 | 77.9 Ų | 77.9 | 59% | 0.589 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.3 | -25.8 | -179.7 | -71.2 | -179.6 | -167 | -145 | 6.4 | 113.8 | T64 K65 Y73 | T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.27Å; T64-R68 PolarHBondContact O-N 3.42Å; T64-R68 VanDerWaalsContact O-N 3.12Å; K65-R68 PolarHBondContact O-N 3.01Å; R68-Y73 HydrophobicContact CG-CE1 4.37Å |
| 69 | H | 85.2 | Confident | 82.4 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 66% | 0.662 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.1 | 177.8 | -75.9 | -74.3 | 0 | 0 | 0 | 113.6 | K65 C66 I67 S71 | K65-H69 PolarHBondContact O-CD2 2.9Å; K65-H69 PolarHBondContact O-N 3.26Å; C66-H69 PolarHBondContact O-N 2.91Å; I67-H69 VanDerWaalsContact C-N 3.28Å; I67-H69 PolarHBondContact O-N 3.33Å; H69-S71 PolarHBondContact O-N 3.42Å |
| 70 | D | 81.8 | Confident | 82.3 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | trans | -65.9 | 131.3 | 173.4 | -165.1 | -24.2 | 0 | 0 | 0 | 109.6 | C66 I67 G72 Y73 | C66-D70 PolarHBondContact O-N 3.34Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 2.84Å; D70-G72 PolarHBondContact O-N 3.18Å; D70-G72 PolarHBondContact OD1-N 2.89Å; D70-G72 VanDerWaalsContact OD1-N 3.13Å; D70-Y73 WeakPolarHBondContact O-CB 3.38Å; D70-Y73 PolarHBondContact O-N 3.25Å | ||
| 71 | S | 75.1 | Confident | 81.9 | Confident | 131 Ų | 131 | 81.8 Ų | 81.8 | 92% | 0.916 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.6 | 179.7 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | H69 | H69-S71 PolarHBondContact O-N 3.42Š|
| 72 | G | 72.6 | Confident | 81.5 | Confident | 25 Ų | 25 | 83 Ų | 83 | 26% | 0.258 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D70 N74 Q79 | D70-G72 PolarHBondContact O-N 3.18Å; D70-G72 PolarHBondContact OD1-N 2.89Å; D70-G72 VanDerWaalsContact OD1-N 3.13Å; G72-N74 PolarHBondContact O-N 3.11Å; G72-Q79 PolarHBondContact O-NE2 2.94Å |
| 73 | Y | 71.9 | Confident | 80.5 | Confident | 69 Ų | 69 | 90.7 Ų | 90.7 | 27% | 0.271 | 46% | 0.459 | S | S | . | . | trans | -67.9 | 100.6 | -174.4 | -176.6 | -111.1 | 0 | 0 | 0 | 112.5 | I67 R68 D70 G75 F76 | I67-Y73 HydrophobicContact CG2-CD2 3.59Å; I67-Y73 HydrophobicContact CG2-CE2 3.42Å; I67-Y73 VanDerWaalsContact CG2-CE2 3.42Å; I67-Y73 WeakPolarHBondContact O-CB 3.42Å; I67-Y73 VanDerWaalsContact O-CD2 3.27Å; I67-Y73 WeakPolarHBondContact O-CD2 3.49Å; R68-Y73 HydrophobicContact CG-CE1 4.37Å; D70-Y73 WeakPolarHBondContact O-CB 3.38Å; D70-Y73 PolarHBondContact O-N 3.25Å; Y73-G75 VanDerWaalsContact C-N 3.29Å; Y73-G75 VanDerWaalsContact CZ-CA 3.44Å; Y73-G75 PolarHBondContact O-N 2.95Å; Y73-F76 WeakPolarHBondContact CE2-O 3.38Å | ||
| 74 | N | 72.6 | Confident | 79.2 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -91.6 | 23.1 | 176.8 | -67.5 | -22.1 | 0 | 0 | 0 | 113.1 | G72 F76 | G72-N74 PolarHBondContact O-N 3.11Å; N74-F76 VanDerWaalsContact C-N 3.3Å; N74-F76 HydrophobicContact CB-CD2 4Å; N74-F76 HydrophobicContact CB-CE2 4.45Å; N74-F76 WeakPolarHBondContact O-CD2 3.33Å |
| 75 | G | 74.4 | Confident | 78.4 | Confident | 45 Ų | 45 | 96 Ų | 96 | 46% | 0.464 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 84.9 | -2.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y73 | Y73-G75 VanDerWaalsContact C-N 3.29Å; Y73-G75 VanDerWaalsContact CZ-CA 3.44Å; Y73-G75 PolarHBondContact O-N 2.95Å |
| 76 | F | 73.6 | Confident | 78 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | trans | -99.5 | 135.2 | 179.6 | -62.4 | -80.4 | 0 | 0 | 0 | 111.9 | Y73 N74 L78 | Y73-F76 WeakPolarHBondContact CE2-O 3.38Å; N74-F76 VanDerWaalsContact C-N 3.3Å; N74-F76 HydrophobicContact CB-CD2 4Å; N74-F76 HydrophobicContact CB-CE2 4.45Å; N74-F76 WeakPolarHBondContact O-CD2 3.33Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.28Å | ||
| 77 | Y | 79 | Confident | 77.9 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 31% | 0.306 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -74.4 | -18.8 | 176.9 | -68.9 | -79.1 | 0 | 0 | 0 | 114.2 | I67 F95 G124 L127 | I67-Y77 HydrophobicContact CD1-CD1 4.1Å; I67-Y77 HydrophobicContact CG2-CD1 4.19Å; Y77-F95 AromaticContact CD2-CD2 3.84Å; Y77-F95 HydrophobicContact CD2-CD2 3.84Å; Y77-F95 AromaticContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CE2-CD2 4.24Å; Y77-F95 HydrophobicContact CE2-CE2 4.29Å; Y77-G124 WeakPolarHBondContact O-CA 3.29Å; Y77-L127 HydrophobicContact CD1-CD1 3.64Å; Y77-L127 HydrophobicContact CE1-CD1 3.76Å |
| 78 | L | 86.6 | Confident | 77.9 | Confident | 9 Ų | 9 | 102.2 Ų | 102.2 | 5% | 0.047 | 56% | 0.56 | C | S | . | * | trans | -122.9 | 140.5 | -179.4 | -63.3 | 177 | 0 | 0 | 0 | 109.3 | F76 I90 S91 L98 C122 F125 L128 | F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.28Å; L78-I90 HydrophobicContact CD1-CG2 4.42Å; L78-S91 WeakPolarHBondContact O-CB 3.4Å; L78-L98 HydrophobicContact CD1-CD1 3.71Å; L78-C122 WeakPolarHBondContact CD2-SG 3.37Å; L78-F125 HydrophobicContact CD1-CE2 4.15Å; L78-F125 HydrophobicContact CD1-CZ 4.36Å; L78-F125 HydrophobicContact CD2-CD2 3.76Å; L78-F125 HydrophobicContact CD2-CE2 4.08Å; L78-F125 HydrophobicContact CD2-CG 4.38Å; L78-L128 HydrophobicContact CD1-CD1 4.06Å | ||
| 79 | Q | 82.5 | Confident | 78 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 38% | 0.383 | 55% | 0.545 | S | S | . | . | trans | -141.7 | 145.1 | 177.5 | -61.3 | -168.9 | 5.1 | 0 | 0 | 110.8 | G72 H89 | G72-Q79 PolarHBondContact O-NE2 2.94Å; Q79-H89 VanDerWaalsContact C-CE1 3.47Å | ||
| 80 | P | 82.8 | Confident | 78.2 | Confident | 51 Ų | 51 | 94.1 Ų | 94.1 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | trans | -69.2 | 135.9 | 173.5 | 27.6 | -31.8 | 0 | 0 | 0 | 110.4 | H82 H89 | P80-H82 VanDerWaalsContact C-N 3.31Å; P80-H89 HydrophobicContact CB-CB 4.32Å | ||
| 81 | M | 79.8 | Confident | 78.4 | Confident | 166 Ų | 166 | 91.3 Ų | 91.3 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -67.6 | -34.4 | 172.5 | -169.4 | 171.3 | 87.2 | 0 | 0 | 111.8 | ||
| 82 | H | 78.3 | Confident | 79 | Confident | 132 Ų | 132 | 89.7 Ų | 89.7 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | trans | -116 | 122.1 | 178.7 | -61.8 | -64.4 | 0 | 0 | 0 | 110.4 | P80 C84 | P80-H82 VanDerWaalsContact C-N 3.31Å; H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.17Å | ||
| 83 | K | 68.3 | Low | 79.9 | Confident | 202 Ų | 202 | 91.4 Ų | 91.4 | 88% | 0.878 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -70.2 | -20.4 | -179.8 | -65.8 | -178.9 | 179.9 | 178.2 | 0 | 113.6 | ||
| 84 | C | 63.3 | Low | 80.7 | Confident | 134 Ų | 134 | 91.3 Ų | 91.3 | 91% | 0.905 | 51% | 0.512 | S | S | * | . | trans | -104.2 | 57.2 | -172.6 | -71.3 | 0 | 0 | 0 | 0 | 113.7 | H82 | H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.17Å | ||
| 85 | S | 72.5 | Confident | 81.3 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | trans | -104.5 | 135.6 | 165.4 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | S87 | S85-S87 PolarHBondContact O-N 3.32Å; S85-S87 PolarHBondContact OG-O 3.27Å | ||
| 86 | S | 80.4 | Confident | 82.1 | Confident | 141 Ų | 141 | 92 Ų | 92 | 99% | 0.986 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -69 | -13.9 | 171.6 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 87 | S | 83.7 | Confident | 83 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -89.1 | 143.6 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | S85 H89 | S85-S87 PolarHBondContact O-N 3.32Å; S85-S87 PolarHBondContact OG-O 3.27Å; S87-H89 PolarHBondContact O-N 3.19Å |
| 88 | T | 86.5 | Confident | 83.7 | Confident | 123 Ų | 123 | 87.7 Ų | 87.7 | 76% | 0.755 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 125.5 | 170.8 | -48.9 | 0 | 0 | 0 | 0 | 110.7 | V92 | T88-V92 HydrophobicContact CG2-CB 4.02Å; T88-V92 HydrophobicContact CG2-CG1 4.24Å; T88-V92 HydrophobicContact CG2-CG2 3.86Å |
| 89 | H | 87.8 | Confident | 83.9 | Confident | 59 Ų | 59 | 88 Ų | 88 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 148.9 | 178 | -173.7 | -104.9 | 0 | 0 | 0 | 111.7 | Q79 P80 S87 S91 V92 | Q79-H89 VanDerWaalsContact C-CE1 3.47Å; P80-H89 HydrophobicContact CB-CB 4.32Å; S87-H89 PolarHBondContact O-N 3.19Å; H89-S91 WeakPolarHBondContact ND1-CB 3.44Å; H89-S91 PolarHBondContact ND1-N 3.06Å; H89-S91 VanDerWaalsContact ND1-N 3.16Å; H89-S91 PolarHBondContact ND1-OG 2.79Å; H89-S91 PolarHBondContact O-N 3.39Å; H89-S91 VanDerWaalsContact O-N 3.12Å; H89-V92 WeakPolarHBondContact O-CB 3.29Å; H89-V92 WeakPolarHBondContact O-CG2 3.26Å; H89-V92 PolarHBondContact O-N 2.77Å; H89-V92 VanDerWaalsContact O-N 3.1Å |
| 90 | I | 89.5 | Confident | 84.4 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 36% | 0.359 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -60.7 | -24.2 | -178.5 | -168.5 | 158.2 | 0 | 0 | 0 | 113.7 | L78 V92 L93 L98 F125 | L78-I90 HydrophobicContact CD1-CG2 4.42Å; I90-V92 PolarHBondContact O-N 2.49Å; I90-L93 HydrophobicContact CG1-CD1 4.28Å; I90-L93 WeakPolarHBondContact O-CB 3.43Å; I90-L93 PolarHBondContact O-N 3.13Å; I90-L93 VanDerWaalsContact O-N 3.15Å; I90-L98 HydrophobicContact CD1-CD2 4.11Å; I90-L98 HydrophobicContact CG1-CD2 3.63Å; I90-F125 HydrophobicContact CD1-CZ 4.12Å |
| 91 | S | 86.3 | Confident | 84.9 | Confident | 20 Ų | 20 | 92.8 Ų | 92.8 | 14% | 0.14 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -66.2 | -12.7 | 176.8 | 67 | 0 | 0 | 0 | 0 | 114.6 | L78 H89 L93 | L78-S91 WeakPolarHBondContact O-CB 3.4Å; H89-S91 WeakPolarHBondContact ND1-CB 3.44Å; H89-S91 PolarHBondContact ND1-N 3.06Å; H89-S91 VanDerWaalsContact ND1-N 3.16Å; H89-S91 PolarHBondContact ND1-OG 2.79Å; H89-S91 PolarHBondContact O-N 3.39Å; H89-S91 VanDerWaalsContact O-N 3.12Å; S91-L93 PolarHBondContact O-N 3.29Å |
| 92 | V | 87.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 59% | 0.594 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -68.9 | -24.2 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | T88 H89 I90 | T88-V92 HydrophobicContact CG2-CB 4.02Å; T88-V92 HydrophobicContact CG2-CG1 4.24Å; T88-V92 HydrophobicContact CG2-CG2 3.86Å; H89-V92 WeakPolarHBondContact O-CB 3.29Å; H89-V92 WeakPolarHBondContact O-CG2 3.26Å; H89-V92 PolarHBondContact O-N 2.77Å; H89-V92 VanDerWaalsContact O-N 3.1Å; I90-V92 PolarHBondContact O-N 2.49Å |
| 93 | L | 89.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -73.9 | 131.9 | 176.8 | -63.8 | 173.7 | 0 | 0 | 0 | 110.6 | I90 S91 L97 L98 I101 | I90-L93 HydrophobicContact CG1-CD1 4.28Å; I90-L93 WeakPolarHBondContact O-CB 3.43Å; I90-L93 PolarHBondContact O-N 3.13Å; I90-L93 VanDerWaalsContact O-N 3.15Å; S91-L93 PolarHBondContact O-N 3.29Å; L93-L97 HydrophobicContact CB-CB 4.3Å; L93-L97 HydrophobicContact CD2-CD1 3.98Å; L93-L98 HydrophobicContact CB-CD2 3.97Å; L93-L98 HydrophobicContact CB-CG 4.07Å; L93-L98 HydrophobicContact CD1-CD2 4.07Å; L93-I101 HydrophobicContact CD1-CD1 3.58Å |
| 94 | P | 89.5 | Confident | 87.1 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | -55.1 | 155.1 | 169.6 | -25.5 | 34.3 | 0 | 0 | 0 | 112.5 | E96 L97 L98 | P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.21Å; P94-E96 PolarHBondContact O-N 3.44Å; P94-E96 VanDerWaalsContact O-N 3.15Å; P94-L97 PolarHBondContact O-N 2.87Å; P94-L98 PolarHBondContact O-N 3.04Å; P94-L98 VanDerWaalsContact O-N 3.12Å | ||
| 95 | F | 85.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 25% | 0.25 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.1 | -37 | -177.8 | -167.1 | -101.1 | 0 | 0 | 0 | 111.9 | Y77 L97 L98 L99 L128 | Y77-F95 AromaticContact CD2-CD2 3.84Å; Y77-F95 HydrophobicContact CD2-CD2 3.84Å; Y77-F95 AromaticContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CE2-CD2 4.24Å; Y77-F95 HydrophobicContact CE2-CE2 4.29Å; F95-L97 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.48Å; F95-L99 HydrophobicContact CD1-CD1 3.67Å; F95-L99 HydrophobicContact CD1-CG 4.01Å; F95-L99 HydrophobicContact CE1-CD1 3.59Å; F95-L99 HydrophobicContact CE1-CD2 4.17Å; F95-L99 HydrophobicContact CE1-CG 3.92Å; F95-L99 HydrophobicContact CZ-CD2 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 2.93Å; F95-L128 HydrophobicContact CD1-CD2 4.45Å; F95-L128 HydrophobicContact CD2-CD2 3.56Å; F95-L128 HydrophobicContact CD2-CG 4.27Å; F95-L128 HydrophobicContact CE1-CD2 4.21Å; F95-L128 HydrophobicContact CE2-CD2 3.25Å; F95-L128 HydrophobicContact CE2-CG 3.69Å; F95-L128 HydrophobicContact CG-CD2 4.16Å; F95-L128 HydrophobicContact CZ-CD2 3.61Å; F95-L128 HydrophobicContact CZ-CG 4.23Å |
| 96 | E | 91 | Very high | 89 | Confident | 132 Ų | 132 | 72.4 Ų | 72.4 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 178.7 | -58.6 | 75.8 | -165.7 | 0 | 0 | 112.4 | P94 L99 R100 | P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.21Å; P94-E96 PolarHBondContact O-N 3.44Å; P94-E96 VanDerWaalsContact O-N 3.15Å; E96-L99 PolarHBondContact O-N 3.31Å; E96-R100 WeakPolarHBondContact O-CB 3.37Å; E96-R100 PolarHBondContact O-N 3.33Å |
| 97 | L | 92 | Very high | 89.1 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.8 | -37.3 | 177.2 | -64.8 | -168.5 | 0 | 0 | 0 | 111 | L93 P94 F95 R100 I101 | L93-L97 HydrophobicContact CB-CB 4.3Å; L93-L97 HydrophobicContact CD2-CD1 3.98Å; P94-L97 PolarHBondContact O-N 2.87Å; F95-L97 PolarHBondContact O-N 2.92Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.12Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.09Å |
| 98 | L | 92.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 172.8 | -64.3 | 171.1 | 0 | 0 | 0 | 111 | L78 I90 L93 P94 F95 R100 I101 I102 L128 | L78-L98 HydrophobicContact CD1-CD1 3.71Å; I90-L98 HydrophobicContact CD1-CD2 4.11Å; I90-L98 HydrophobicContact CG1-CD2 3.63Å; L93-L98 HydrophobicContact CB-CD2 3.97Å; L93-L98 HydrophobicContact CB-CG 4.07Å; L93-L98 HydrophobicContact CD1-CD2 4.07Å; P94-L98 PolarHBondContact O-N 3.04Å; P94-L98 VanDerWaalsContact O-N 3.12Å; F95-L98 PolarHBondContact O-N 3.48Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.02Å; L98-I101 PolarHBondContact O-N 3.39Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.11Å; L98-L128 HydrophobicContact CB-CD1 4.07Å; L98-L128 HydrophobicContact CB-CD2 3.85Å; L98-L128 HydrophobicContact CD1-CD1 3.99Å |
| 99 | L | 92.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 174.2 | -72 | 178.5 | 0 | 0 | 0 | 112.3 | F95 E96 I102 R103 L128 D131 I134 | F95-L99 HydrophobicContact CD1-CD1 3.67Å; F95-L99 HydrophobicContact CD1-CG 4.01Å; F95-L99 HydrophobicContact CE1-CD1 3.59Å; F95-L99 HydrophobicContact CE1-CD2 4.17Å; F95-L99 HydrophobicContact CE1-CG 3.92Å; F95-L99 HydrophobicContact CZ-CD2 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 2.93Å; E96-L99 PolarHBondContact O-N 3.31Å; L99-I102 PolarHBondContact O-N 3.14Å; L99-R103 WeakPolarHBondContact O-CG 3.12Å; L99-R103 PolarHBondContact O-N 3.5Å; L99-L128 HydrophobicContact CD2-CD2 3.84Å; L99-L128 HydrophobicContact CG-CD2 4.03Å; L99-D131 HydrophobicContact CD2-CB 3.64Å; L99-I134 HydrophobicContact CD2-CD1 3.66Å; L99-I134 HydrophobicContact CD2-CG1 4.25Å |
| 100 | R | 92.3 | Very high | 87.5 | Confident | 154 Ų | 154 | 56.2 Ų | 56.2 | 58% | 0.581 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 175 | -175.9 | 63.2 | 66.4 | -175.8 | 4.2 | 111.9 | E96 L97 L98 I102 R103 W104 | E96-R100 WeakPolarHBondContact O-CB 3.37Å; E96-R100 PolarHBondContact O-N 3.33Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.12Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.02Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.87Å; R100-R103 PolarHBondContact O-N 3.47Å; R100-W104 PolarHBondContact O-N 2.99Å |
| 101 | I | 92.7 | Very high | 87.1 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 42% | 0.415 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.1 | -68.7 | 164.2 | 0 | 0 | 0 | 110.3 | L93 L97 L98 W104 A105 | L93-I101 HydrophobicContact CD1-CD1 3.58Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.09Å; L98-I101 PolarHBondContact O-N 3.39Å; I101-W104 WeakPolarHBondContact O-CB 3.18Å; I101-W104 PolarHBondContact O-N 3.35Å; I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 3.45Å |
| 102 | I | 92.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.7 | -66.3 | 172 | 0 | 0 | 0 | 111 | L98 L99 R100 W104 A105 I106 L115 L118 L128 I134 | L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.11Å; L99-I102 PolarHBondContact O-N 3.14Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.87Å; I102-W104 VanDerWaalsContact C-N 3.27Å; I102-W104 PolarHBondContact O-N 3.08Å; I102-A105 PolarHBondContact O-N 3.27Å; I102-A105 VanDerWaalsContact O-N 3.11Å; I102-I106 HydrophobicContact CG2-CD1 4.14Å; I102-I106 HydrophobicContact CG2-CG1 4.48Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.75Å; I102-L115 HydrophobicContact CG2-CD2 3.43Å; I102-L115 VanDerWaalsContact CG2-CD2 3.43Å; I102-L118 HydrophobicContact CB-CD1 4.47Å; I102-L118 HydrophobicContact CD1-CD1 4.17Å; I102-L118 HydrophobicContact CG1-CD1 3.81Å; I102-L118 HydrophobicContact CG2-CD1 4.02Å; I102-L128 HydrophobicContact CD1-CB 3.59Å; I102-L128 HydrophobicContact CD1-CD1 4.38Å; I102-L128 HydrophobicContact CD1-CD2 4.35Å; I102-L128 HydrophobicContact CD1-CG 4.34Å; I102-I134 HydrophobicContact CB-CD1 4.23Å; I102-I134 HydrophobicContact CG2-CD1 3.68Å |
| 103 | R | 91 | Very high | 87 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 172.7 | -77.4 | -179.6 | 175.4 | 82.1 | 1.1 | 111.9 | L99 R100 I106 G107 S133 D137 L392 | L99-R103 WeakPolarHBondContact O-CG 3.12Å; L99-R103 PolarHBondContact O-N 3.5Å; R100-R103 PolarHBondContact O-N 3.47Å; R103-I106 PolarHBondContact O-N 3.36Å; R103-G107 PolarHBondContact O-N 3.17Å; R103-G107 VanDerWaalsContact O-N 3.09Å; R103-S133 PolarHBondContact NH2-OG 2.81Å; R103-D137 IonicContact CZ-OD2 3.31Å; R103-D137 VanDerWaalsContact CZ-OD2 3.31Å; R103-D137 IonicContact NE-OD2 3.96Å; R103-D137 PolarHBondContact NE-OD2 3.07Å; R103-D137 IonicContact NH2-OD2 2.79Å; R103-D137 PolarHBondContact NH2-OD2 2.74Å; R103-L392 HydrophobicContact CB-CB 4.1Å; R103-L392 HydrophobicContact CG-CB 4.32Å |
| 104 | W | 90.2 | Very high | 86.9 | Confident | 188 Ų | 188 | 57.1 Ų | 57.1 | 71% | 0.712 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 175.5 | -175.6 | 83.4 | 0 | 0 | 0 | 112.3 | R100 I101 I102 G107 | R100-W104 PolarHBondContact O-N 2.99Å; I101-W104 WeakPolarHBondContact O-CB 3.18Å; I101-W104 PolarHBondContact O-N 3.35Å; I102-W104 VanDerWaalsContact C-N 3.27Å; I102-W104 PolarHBondContact O-N 3.08Å; W104-G107 WeakPolarHBondContact O-CA 3.35Å; W104-G107 PolarHBondContact O-N 2.86Å; W104-G107 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 88.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I101 I102 G107 V114 | I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 3.45Å; I102-A105 PolarHBondContact O-N 3.27Å; I102-A105 VanDerWaalsContact O-N 3.11Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-V114 HydrophobicContact CB-CG1 3.99Å |
| 106 | I | 87.3 | Confident | 87.3 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 170.1 | -62.8 | 161.1 | 0 | 0 | 0 | 109.9 | I102 R103 L110 N111 L115 I134 I138 L392 | I102-I106 HydrophobicContact CG2-CD1 4.14Å; I102-I106 HydrophobicContact CG2-CG1 4.48Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.75Å; R103-I106 PolarHBondContact O-N 3.36Å; I106-L110 HydrophobicContact CG2-CD1 4.37Å; I106-N111 PolarHBondContact O-N 3Å; I106-L115 HydrophobicContact CD1-CD1 4.05Å; I106-L115 HydrophobicContact CD1-CD2 3.96Å; I106-L115 HydrophobicContact CD1-CG 4.07Å; I106-L115 HydrophobicContact CG1-CD2 4.31Å; I106-L115 HydrophobicContact CG1-CG 4.21Å; I106-I134 HydrophobicContact CD1-CG2 3.55Å; I106-I138 HydrophobicContact CD1-CD1 4.37Å; I106-L392 HydrophobicContact CB-CD1 3.64Å; I106-L392 HydrophobicContact CD1-CD1 3.9Å; I106-L392 HydrophobicContact CG1-CD1 4.42Å; I106-L392 HydrophobicContact CG2-CD1 3.3Å |
| 107 | G | 80.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -171.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R103 W104 A105 H109 L110 | R103-G107 PolarHBondContact O-N 3.17Å; R103-G107 VanDerWaalsContact O-N 3.09Å; W104-G107 WeakPolarHBondContact O-CA 3.35Å; W104-G107 PolarHBondContact O-N 2.86Å; W104-G107 VanDerWaalsContact O-N 3.12Å; A105-G107 VanDerWaalsContact C-N 3.31Å; G107-H109 VanDerWaalsContact C-N 3.28Å; G107-H109 PolarHBondContact O-N 2.96Å; G107-L110 PolarHBondContact O-N 3.44Å |
| 108 | S | 73.8 | Confident | 87.4 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22 | -177.7 | 51.2 | 0 | 0 | 0 | 0 | 114.8 | L110 | S108-L110 VanDerWaalsContact C-N 3.28Š|
| 109 | H | 70.7 | Confident | 87.5 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 13% | 0.13 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 1.7 | 179.6 | -71 | -89.1 | 0 | 0 | 0 | 113.3 | G107 N111 P385 D386 | G107-H109 VanDerWaalsContact C-N 3.28Å; G107-H109 PolarHBondContact O-N 2.96Å; H109-N111 PolarHBondContact O-N 3.32Å; H109-P385 WeakPolarHBondContact CD2-CA 3.34Å; H109-P385 WeakPolarHBondContact CD2-CB 3.42Å; H109-P385 WeakPolarHBondContact NE2-CA 3.48Å; H109-P385 WeakPolarHBondContact NE2-CB 3.3Å; H109-D386 VanDerWaalsContact CE1-CG 3.46Å; H109-D386 PolarHBondContact CE1-N 3.07Å; H109-D386 IonicContact CE1-OD1 2.96Å; H109-D386 PolarHBondContact CE1-OD1 2.79Å; H109-D386 IonicContact CE1-OD2 3.49Å; H109-D386 PolarHBondContact NE2-N 3.08Å; H109-D386 IonicContact NE2-OD1 2.61Å; H109-D386 IonicContact NE2-OD2 3.47Å |
| 110 | L | 80.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 53 | 175.7 | -156.8 | 81.2 | 0 | 0 | 0 | 111.9 | I106 G107 S108 I112 I138 K141 L142 L392 | I106-L110 HydrophobicContact CG2-CD1 4.37Å; G107-L110 PolarHBondContact O-N 3.44Å; S108-L110 VanDerWaalsContact C-N 3.28Å; L110-I112 HydrophobicContact CD2-CD1 4Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CD1 4.16Å; L110-I112 HydrophobicContact CG-CG1 3.95Å; L110-I112 PolarHBondContact O-N 3.28Å; L110-I138 HydrophobicContact CD1-CB 4.09Å; L110-I138 HydrophobicContact CD1-CG1 3.77Å; L110-I138 HydrophobicContact CD1-CG2 4.03Å; L110-I138 HydrophobicContact CD2-CG2 4.09Å; L110-I138 HydrophobicContact CG-CG2 4.3Å; L110-K141 HydrophobicContact CD1-CB 4.28Å; L110-K141 HydrophobicContact CD1-CG 4.44Å; L110-L142 HydrophobicContact CD2-CD1 3.7Å; L110-L142 HydrophobicContact CD2-CD2 3.27Å; L110-L142 HydrophobicContact CD2-CG 3.33Å; L110-L392 HydrophobicContact CD1-CD1 4.19Å; L110-L392 HydrophobicContact CD1-CD2 4.11Å |
| 111 | N | 81.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | trans | -76.6 | 73.2 | 178 | -171.9 | 9 | 0 | 0 | 0 | 111.2 | I106 H109 R113 V114 | I106-N111 PolarHBondContact O-N 3Å; H109-N111 PolarHBondContact O-N 3.32Å; N111-R113 PolarHBondContact O-N 2.7Å; N111-R113 WeakPolarHBondContact OD1-CB 3.39Å; N111-V114 HydrophobicContact CB-CG2 4.22Å; N111-V114 WeakPolarHBondContact O-CB 3.48Å; N111-V114 WeakPolarHBondContact O-CG2 3.46Å; N111-V114 PolarHBondContact O-N 2.87Å | ||
| 112 | I | 86.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.1 | -178 | -54.8 | 175.4 | 0 | 0 | 0 | 111.5 | L110 V114 L115 W135 I138 | L110-I112 HydrophobicContact CD2-CD1 4Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CD1 4.16Å; L110-I112 HydrophobicContact CG-CG1 3.95Å; L110-I112 PolarHBondContact O-N 3.28Å; I112-V114 PolarHBondContact O-N 3.45Å; I112-L115 HydrophobicContact CG2-CD1 4.18Å; I112-L115 VanDerWaalsContact O-CB 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 2.84Å; I112-W135 HydrophobicContact CG2-CH2 3.49Å; I112-W135 VanDerWaalsContact CG2-CH2 3.49Å; I112-W135 HydrophobicContact CG2-CZ2 4.47Å; I112-W135 HydrophobicContact CG2-CZ3 3.65Å; I112-I138 HydrophobicContact CD1-CG2 3.76Å; I112-I138 HydrophobicContact CG1-CD1 4.21Å; I112-I138 HydrophobicContact CG1-CG2 4.36Å |
| 113 | R | 85.1 | Confident | 87.3 | Confident | 149 Ų | 149 | 56 Ų | 56 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.4 | -28.7 | 175.7 | -171.8 | 174.5 | -179.4 | 164.8 | 1.2 | 113.2 | N111 L115 G116 V117 | N111-R113 PolarHBondContact O-N 2.7Å; N111-R113 WeakPolarHBondContact OD1-CB 3.39Å; R113-L115 PolarHBondContact O-N 3.05Å; R113-G116 PolarHBondContact O-N 3.32Å; R113-V117 PolarHBondContact O-N 3.19Å |
| 114 | V | 88.9 | Confident | 87.3 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -38.2 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | A105 N111 I112 G116 V117 L118 | A105-V114 HydrophobicContact CB-CG1 3.99Å; N111-V114 HydrophobicContact CB-CG2 4.22Å; N111-V114 WeakPolarHBondContact O-CB 3.48Å; N111-V114 WeakPolarHBondContact O-CG2 3.46Å; N111-V114 PolarHBondContact O-N 2.87Å; I112-V114 PolarHBondContact O-N 3.45Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.26Å; V114-V117 PolarHBondContact O-N 2.86Å; V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CB 3.19Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.26Å |
| 115 | L | 92.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 176 | -62.8 | 177 | 0 | 0 | 0 | 112.4 | I102 I106 I112 R113 S119 A129 I134 W135 I138 | I102-L115 HydrophobicContact CG2-CD2 3.43Å; I102-L115 VanDerWaalsContact CG2-CD2 3.43Å; I106-L115 HydrophobicContact CD1-CD1 4.05Å; I106-L115 HydrophobicContact CD1-CD2 3.96Å; I106-L115 HydrophobicContact CD1-CG 4.07Å; I106-L115 HydrophobicContact CG1-CD2 4.31Å; I106-L115 HydrophobicContact CG1-CG 4.21Å; I112-L115 HydrophobicContact CG2-CD1 4.18Å; I112-L115 VanDerWaalsContact O-CB 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 2.84Å; R113-L115 PolarHBondContact O-N 3.05Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 PolarHBondContact O-OG 2.91Å; L115-A129 HydrophobicContact CB-CB 4.15Å; L115-A129 HydrophobicContact CD2-CB 4Å; L115-A129 WeakPolarHBondContact O-CB 3.07Å; L115-I134 HydrophobicContact CD1-CG2 3.89Å; L115-I134 HydrophobicContact CD2-CG2 4.28Å; L115-W135 HydrophobicContact CD1-CH2 4.18Å; L115-W135 HydrophobicContact CD1-CZ2 3.77Å; L115-I138 HydrophobicContact CD1-CD1 3.8Å |
| 116 | G | 91.1 | Very high | 87.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R113 V114 S119 C120 | R113-G116 PolarHBondContact O-N 3.32Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.26Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; G116-S119 PolarHBondContact O-N 2.92Å; G116-C120 PolarHBondContact O-N 3.46Å; G116-C120 PolarHBondContact O-SG 3.01Å; G116-C120 VanDerWaalsContact O-SG 3.32Å |
| 117 | V | 92.5 | Very high | 87.8 | Confident | 92 Ų | 92 | 47.2 Ų | 47.2 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 177.4 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | R113 V114 S119 C120 | R113-V117 PolarHBondContact O-N 3.19Å; V114-V117 PolarHBondContact O-N 2.86Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.48Å; V117-C120 PolarHBondContact O-N 3.21Å |
| 118 | L | 93 | Very high | 88.3 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 175 | -70.8 | 172.1 | 0 | 0 | 0 | 110.8 | I102 V114 C120 V121 F125 A129 | I102-L118 HydrophobicContact CB-CD1 4.47Å; I102-L118 HydrophobicContact CD1-CD1 4.17Å; I102-L118 HydrophobicContact CG1-CD1 3.81Å; I102-L118 HydrophobicContact CG2-CD1 4.02Å; V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CB 3.19Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.26Å; L118-C120 PolarHBondContact O-N 2.77Å; L118-C120 VanDerWaalsContact O-N 3.11Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 WeakPolarHBondContact O-CG2 3.3Å; L118-V121 PolarHBondContact O-N 3.3Å; L118-F125 HydrophobicContact CB-CD1 4.24Å; L118-F125 HydrophobicContact CD2-CD1 3.8Å; L118-F125 HydrophobicContact CD2-CE1 3.79Å; L118-F125 WeakPolarHBondContact O-CB 3.21Å; L118-A129 HydrophobicContact CB-CB 4.33Å |
| 119 | S | 93.2 | Very high | 89.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.6 | -28.2 | 178.6 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | L115 G116 V117 A129 | L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 PolarHBondContact O-OG 2.91Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; G116-S119 PolarHBondContact O-N 2.92Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.48Å; S119-A129 WeakPolarHBondContact OG-CB 3.32Å |
| 120 | C | 92.7 | Very high | 90.2 | Very high | 115 Ų | 115 | 45.8 Ų | 45.8 | 78% | 0.777 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.3 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | G116 V117 L118 | G116-C120 PolarHBondContact O-N 3.46Å; G116-C120 PolarHBondContact O-SG 3.01Å; G116-C120 VanDerWaalsContact O-SG 3.32Å; V117-C120 PolarHBondContact O-N 3.21Å; L118-C120 PolarHBondContact O-N 2.77Å; L118-C120 VanDerWaalsContact O-N 3.11Å |
| 121 | V | 92.5 | Very high | 90.7 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -54.7 | -175.4 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | L118 F125 | L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 WeakPolarHBondContact O-CG2 3.3Å; L118-V121 PolarHBondContact O-N 3.3Å; V121-F125 HydrophobicContact CB-CB 4.18Å; V121-F125 HydrophobicContact CB-CD2 3.91Å; V121-F125 HydrophobicContact CB-CG 4.18Å; V121-F125 HydrophobicContact CG1-CD2 3.67Å; V121-F125 HydrophobicContact CG1-CE2 4.03Å; V121-F125 HydrophobicContact CG1-CG 4.42Å |
| 122 | C | 90 | Very high | 91 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | trans | -163.4 | 172.9 | 177.4 | 75.9 | 0 | 0 | 0 | 0 | 111.3 | L78 G124 F125 Y126 | L78-C122 WeakPolarHBondContact CD2-SG 3.37Å; C122-G124 VanDerWaalsContact C-N 3.35Å; C122-G124 PolarHBondContact O-N 3.5Å; C122-F125 PolarHBondContact O-N 3.48Å; C122-F125 VanDerWaalsContact O-N 3.17Å; C122-F125 PolarHBondContact SG-N 3.42Å; C122-Y126 PolarHBondContact O-N 3.14Å | ||
| 123 | R | 90.4 | Very high | 91.2 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 178.4 | -62.2 | 179.5 | -176.3 | 118.6 | 1.2 | 113.1 | F63 I67 Y126 L127 | F63-R123 HydrophobicContact CB-CB 4.22Å; F63-R123 HydrophobicContact CB-CG 4.45Å; F63-R123 HydrophobicContact CD1-CG 3.99Å; F63-R123 HydrophobicContact CD2-CB 4.41Å; F63-R123 HydrophobicContact CD2-CG 4.39Å; F63-R123 HydrophobicContact CE1-CG 4.34Å; F63-R123 HydrophobicContact CG-CB 4.19Å; F63-R123 HydrophobicContact CG-CG 4.02Å; I67-R123 HydrophobicContact CD1-CB 3.84Å; I67-R123 HydrophobicContact CG1-CB 4.11Å; R123-Y126 WeakPolarHBondContact O-CB 3.41Å; R123-Y126 PolarHBondContact O-N 3.16Å; R123-L127 PolarHBondContact O-N 3.32Å; R123-L127 VanDerWaalsContact O-N 3.11Å |
| 124 | G | 90.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y77 C122 Y126 L127 L128 | Y77-G124 WeakPolarHBondContact O-CA 3.29Å; C122-G124 VanDerWaalsContact C-N 3.35Å; C122-G124 PolarHBondContact O-N 3.5Å; G124-Y126 VanDerWaalsContact C-N 3.33Å; G124-L127 PolarHBondContact O-N 3.04Å; G124-L128 PolarHBondContact O-N 3.39Å |
| 125 | F | 92.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -32.4 | 174.4 | -88 | -75.9 | 0 | 0 | 0 | 112.8 | L78 I90 L118 V121 C122 L127 L128 A129 | L78-F125 HydrophobicContact CD1-CE2 4.15Å; L78-F125 HydrophobicContact CD1-CZ 4.36Å; L78-F125 HydrophobicContact CD2-CD2 3.76Å; L78-F125 HydrophobicContact CD2-CE2 4.08Å; L78-F125 HydrophobicContact CD2-CG 4.38Å; I90-F125 HydrophobicContact CD1-CZ 4.12Å; L118-F125 HydrophobicContact CB-CD1 4.24Å; L118-F125 HydrophobicContact CD2-CD1 3.8Å; L118-F125 HydrophobicContact CD2-CE1 3.79Å; L118-F125 WeakPolarHBondContact O-CB 3.21Å; V121-F125 HydrophobicContact CB-CB 4.18Å; V121-F125 HydrophobicContact CB-CD2 3.91Å; V121-F125 HydrophobicContact CB-CG 4.18Å; V121-F125 HydrophobicContact CG1-CD2 3.67Å; V121-F125 HydrophobicContact CG1-CE2 4.03Å; V121-F125 HydrophobicContact CG1-CG 4.42Å; C122-F125 PolarHBondContact O-N 3.48Å; C122-F125 VanDerWaalsContact O-N 3.17Å; C122-F125 PolarHBondContact SG-N 3.42Å; F125-L127 VanDerWaalsContact C-N 3.35Å; F125-L128 HydrophobicContact CD1-CD1 4.27Å; F125-L128 PolarHBondContact O-N 3.1Å; F125-A129 VanDerWaalsContact O-CB 3.23Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.4Å |
| 126 | Y | 92.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 170.3 | -176.2 | -82.5 | 0 | 0 | 0 | 111.5 | L59 F63 C122 R123 G124 A129 N130 | L59-Y126 HydrophobicContact CB-CE1 4.2Å; L59-Y126 WeakPolarHBondContact CB-OH 3.44Å; F63-Y126 AromaticContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD1 3.44Å; F63-Y126 VanDerWaalsContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD2 4.34Å; F63-Y126 AromaticContact CD2-CE1 3.97Å; F63-Y126 HydrophobicContact CD2-CE1 3.97Å; F63-Y126 AromaticContact CD2-CG 3.66Å; F63-Y126 HydrophobicContact CD2-CG 3.66Å; F63-Y126 AromaticContact CE2-CD1 3.77Å; F63-Y126 HydrophobicContact CE2-CD1 3.77Å; F63-Y126 AromaticContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CE1 4.12Å; F63-Y126 HydrophobicContact CE2-CE2 4.21Å; F63-Y126 AromaticContact CE2-CG 3.61Å; F63-Y126 HydrophobicContact CE2-CG 3.61Å; C122-Y126 PolarHBondContact O-N 3.14Å; R123-Y126 WeakPolarHBondContact O-CB 3.41Å; R123-Y126 PolarHBondContact O-N 3.16Å; G124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-A129 PolarHBondContact O-N 3.32Å; Y126-N130 WeakPolarHBondContact CD1-ND2 3.49Å; Y126-N130 WeakPolarHBondContact CE1-ND2 3.26Å; Y126-N130 WeakPolarHBondContact O-CB 3.46Å; Y126-N130 PolarHBondContact O-N 2.79Å; Y126-N130 PolarHBondContact O-ND2 3.33Å |
| 127 | L | 91.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.4 | -63.7 | 179.2 | 0 | 0 | 0 | 112.1 | C60 F63 I67 Y77 R123 G124 F125 A129 N130 D131 | C60-L127 HydrophobicContact CB-CD2 4.36Å; C60-L127 WeakPolarHBondContact O-CD2 3.13Å; F63-L127 HydrophobicContact CB-CD2 4.37Å; I67-L127 HydrophobicContact CD1-CD1 3.67Å; Y77-L127 HydrophobicContact CD1-CD1 3.64Å; Y77-L127 HydrophobicContact CE1-CD1 3.76Å; R123-L127 PolarHBondContact O-N 3.32Å; R123-L127 VanDerWaalsContact O-N 3.11Å; G124-L127 PolarHBondContact O-N 3.04Å; F125-L127 VanDerWaalsContact C-N 3.35Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.47Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.4Å; L127-D131 PolarHBondContact O-N 3.46Å; L127-D131 VanDerWaalsContact O-N 3.14Å |
| 128 | L | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 175.2 | -78.9 | 164.1 | 0 | 0 | 0 | 112.3 | L78 F95 L98 L99 I102 G124 F125 N130 D131 I134 | L78-L128 HydrophobicContact CD1-CD1 4.06Å; F95-L128 HydrophobicContact CD1-CD2 4.45Å; F95-L128 HydrophobicContact CD2-CD2 3.56Å; F95-L128 HydrophobicContact CD2-CG 4.27Å; F95-L128 HydrophobicContact CE1-CD2 4.21Å; F95-L128 HydrophobicContact CE2-CD2 3.25Å; F95-L128 HydrophobicContact CE2-CG 3.69Å; F95-L128 HydrophobicContact CG-CD2 4.16Å; F95-L128 HydrophobicContact CZ-CD2 3.61Å; F95-L128 HydrophobicContact CZ-CG 4.23Å; L98-L128 HydrophobicContact CB-CD1 4.07Å; L98-L128 HydrophobicContact CB-CD2 3.85Å; L98-L128 HydrophobicContact CD1-CD1 3.99Å; L99-L128 HydrophobicContact CD2-CD2 3.84Å; L99-L128 HydrophobicContact CG-CD2 4.03Å; I102-L128 HydrophobicContact CD1-CB 3.59Å; I102-L128 HydrophobicContact CD1-CD1 4.38Å; I102-L128 HydrophobicContact CD1-CD2 4.35Å; I102-L128 HydrophobicContact CD1-CG 4.34Å; G124-L128 PolarHBondContact O-N 3.39Å; F125-L128 HydrophobicContact CD1-CD1 4.27Å; F125-L128 PolarHBondContact O-N 3.1Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 3.32Å; L128-D131 VanDerWaalsContact O-CB 3.3Å; L128-D131 WeakPolarHBondContact O-CB 3.46Å; L128-D131 PolarHBondContact O-N 3.36Å; L128-I134 WeakPolarHBondContact O-CD1 3.33Å |
| 129 | A | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.5 | -24.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L115 L118 S119 F125 Y126 L127 W135 | L115-A129 HydrophobicContact CB-CB 4.15Å; L115-A129 HydrophobicContact CD2-CB 4Å; L115-A129 WeakPolarHBondContact O-CB 3.07Å; L118-A129 HydrophobicContact CB-CB 4.33Å; S119-A129 WeakPolarHBondContact OG-CB 3.32Å; F125-A129 VanDerWaalsContact O-CB 3.23Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.4Å; Y126-A129 PolarHBondContact O-N 3.32Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.47Å; A129-W135 PolarHBondContact O-NE1 3.32Å |
| 130 | N | 91 | Very high | 90.3 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.3 | 174.6 | -68.9 | -70.8 | 0 | 0 | 0 | 112.9 | Y126 L127 L128 N132 R172 | Y126-N130 WeakPolarHBondContact CD1-ND2 3.49Å; Y126-N130 WeakPolarHBondContact CE1-ND2 3.26Å; Y126-N130 WeakPolarHBondContact O-CB 3.46Å; Y126-N130 PolarHBondContact O-N 2.79Å; Y126-N130 PolarHBondContact O-ND2 3.33Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.4Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 3.32Å; N130-N132 PolarHBondContact O-N 2.95Å; N130-R172 WeakPolarHBondContact OD1-CD 3.37Å; N130-R172 PolarHBondContact OD1-NE 2.96Å |
| 131 | D | 90.7 | Very high | 89.9 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | trans | -61.9 | 128.3 | 178.2 | -176.8 | 85.3 | 0 | 0 | 0 | 111.6 | L99 L127 L128 S133 I134 W135 | L99-D131 HydrophobicContact CD2-CB 3.64Å; L127-D131 PolarHBondContact O-N 3.46Å; L127-D131 VanDerWaalsContact O-N 3.14Å; L128-D131 VanDerWaalsContact O-CB 3.3Å; L128-D131 WeakPolarHBondContact O-CB 3.46Å; L128-D131 PolarHBondContact O-N 3.36Å; D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 VanDerWaalsContact O-N 3.16Å; D131-S133 WeakPolarHBondContact OD2-CA 3.25Å; D131-S133 WeakPolarHBondContact OD2-CB 3.45Å; D131-S133 PolarHBondContact OD2-N 2.81Å; D131-S133 PolarHBondContact OD2-OG 3.42Å; D131-I134 HydrophobicContact CB-CD1 4.28Å; D131-I134 HydrophobicContact CB-CG1 4.48Å; D131-I134 PolarHBondContact O-N 2.93Å; D131-I134 VanDerWaalsContact O-N 3.14Å; D131-W135 VanDerWaalsContact O-CD1 3.28Å; D131-W135 PolarHBondContact O-N 3.49Å | ||
| 132 | N | 89 | Confident | 89.5 | Confident | 86 Ų | 86 | 31.8 Ų | 31.8 | 46% | 0.46 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61 | -29.8 | -173 | -168.4 | 55.9 | 0 | 0 | 0 | 113.1 | N130 R136 W171 | N130-N132 PolarHBondContact O-N 2.95Å; N132-R136 VanDerWaalsContact O-CB 3.29Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 3.14Å; N132-W171 VanDerWaalsContact OD1-CD1 3.3Å |
| 133 | S | 89.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 180 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | R103 D131 R136 D137 | R103-S133 PolarHBondContact NH2-OG 2.81Å; D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 VanDerWaalsContact O-N 3.16Å; D131-S133 WeakPolarHBondContact OD2-CA 3.25Å; D131-S133 WeakPolarHBondContact OD2-CB 3.45Å; D131-S133 PolarHBondContact OD2-N 2.81Å; D131-S133 PolarHBondContact OD2-OG 3.42Å; S133-R136 PolarHBondContact O-N 3.4Å; S133-D137 WeakPolarHBondContact O-CB 3.41Å; S133-D137 PolarHBondContact O-N 3.02Å; S133-D137 VanDerWaalsContact O-OD2 3.14Å |
| 134 | I | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 177.5 | -66.4 | 174 | 0 | 0 | 0 | 110.4 | L99 I102 I106 L115 L128 D131 R136 D137 I138 | L99-I134 HydrophobicContact CD2-CD1 3.66Å; L99-I134 HydrophobicContact CD2-CG1 4.25Å; I102-I134 HydrophobicContact CB-CD1 4.23Å; I102-I134 HydrophobicContact CG2-CD1 3.68Å; I106-I134 HydrophobicContact CD1-CG2 3.55Å; L115-I134 HydrophobicContact CD1-CG2 3.89Å; L115-I134 HydrophobicContact CD2-CG2 4.28Å; L128-I134 WeakPolarHBondContact O-CD1 3.33Å; D131-I134 HydrophobicContact CB-CD1 4.28Å; D131-I134 HydrophobicContact CB-CG1 4.48Å; D131-I134 PolarHBondContact O-N 2.93Å; D131-I134 VanDerWaalsContact O-N 3.14Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.23Å; I134-D137 PolarHBondContact O-N 2.84Å; I134-I138 HydrophobicContact CG2-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 VanDerWaalsContact O-CG1 3.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.18Å |
| 135 | W | 91.3 | Very high | 87.1 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -35.6 | -178.7 | -69.8 | 101 | 0 | 0 | 0 | 112.9 | I112 L115 A129 D131 I138 C139 W171 R172 A175 I176 | I112-W135 HydrophobicContact CG2-CH2 3.49Å; I112-W135 VanDerWaalsContact CG2-CH2 3.49Å; I112-W135 HydrophobicContact CG2-CZ2 4.47Å; I112-W135 HydrophobicContact CG2-CZ3 3.65Å; L115-W135 HydrophobicContact CD1-CH2 4.18Å; L115-W135 HydrophobicContact CD1-CZ2 3.77Å; A129-W135 PolarHBondContact O-NE1 3.32Å; D131-W135 VanDerWaalsContact O-CD1 3.28Å; D131-W135 PolarHBondContact O-N 3.49Å; W135-I138 HydrophobicContact CD2-CD1 4.37Å; W135-I138 HydrophobicContact CE3-CD1 4.02Å; W135-I138 HydrophobicContact CZ3-CD1 4.41Å; W135-I138 WeakPolarHBondContact O-CB 3.46Å; W135-I138 PolarHBondContact O-N 2.95Å; W135-C139 PolarHBondContact O-N 3.05Å; W135-C139 PolarHBondContact O-SG 3.49Å; W135-W171 HydrophobicContact CB-CB 3.95Å; W135-R172 HydrophobicContact CB-CB 4.14Å; W135-R172 HydrophobicContact CD2-CB 3.66Å; W135-R172 HydrophobicContact CD2-CG 3.62Å; W135-R172 HydrophobicContact CE3-CB 4.09Å; W135-R172 HydrophobicContact CE3-CG 3.92Å; W135-R172 HydrophobicContact CG-CB 3.66Å; W135-R172 HydrophobicContact CG-CG 4.12Å; W135-R172 HydrophobicContact CH2-CG 4Å; W135-R172 HydrophobicContact CZ2-CG 3.75Å; W135-R172 HydrophobicContact CZ3-CG 4.09Å; W135-A175 HydrophobicContact CE3-CB 3.55Å; W135-A175 HydrophobicContact CZ3-CB 3.82Å; W135-I176 HydrophobicContact CH2-CD1 4.17Å; W135-I176 HydrophobicContact CH2-CG1 4.22Å; W135-I176 HydrophobicContact CZ3-CD1 4.42Å; W135-I176 HydrophobicContact CZ3-CG1 4.07Å |
| 136 | R | 87.6 | Confident | 85.5 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 25% | 0.253 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 172 | -175.3 | -164.9 | 65.8 | -131 | -9.6 | 111.2 | N132 S133 I134 I138 C139 F140 W171 | N132-R136 VanDerWaalsContact O-CB 3.29Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 3.14Å; S133-R136 PolarHBondContact O-N 3.4Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.23Å; R136-I138 VanDerWaalsContact C-N 3.28Å; R136-I138 PolarHBondContact O-N 3.17Å; R136-C139 WeakPolarHBondContact O-CB 3.47Å; R136-C139 PolarHBondContact O-N 3Å; R136-C139 VanDerWaalsContact O-N 3.15Å; R136-F140 HydrophobicContact CG-CD2 3.85Å; R136-F140 HydrophobicContact CG-CE2 3.47Å; R136-F140 VanDerWaalsContact CG-CE2 3.47Å; R136-F140 WeakPolarHBondContact O-CD2 3.29Å; R136-F140 PolarHBondContact O-N 3.42Å; R136-W171 HydrophobicContact CB-CB 4.43Å; R136-W171 HydrophobicContact CB-CD2 4.07Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 4Å; R136-W171 HydrophobicContact CG-CG 4.33Å; R136-W171 HydrophobicContact CG-CZ2 3.98Å |
| 137 | D | 87.1 | Confident | 83.7 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 179.3 | -58.7 | -14.9 | 0 | 0 | 0 | 111.1 | R103 S133 I134 F140 K141 | R103-D137 IonicContact CZ-OD2 3.31Å; R103-D137 VanDerWaalsContact CZ-OD2 3.31Å; R103-D137 IonicContact NE-OD2 3.96Å; R103-D137 PolarHBondContact NE-OD2 3.07Å; R103-D137 IonicContact NH2-OD2 2.79Å; R103-D137 PolarHBondContact NH2-OD2 2.74Å; S133-D137 WeakPolarHBondContact O-CB 3.41Å; S133-D137 PolarHBondContact O-N 3.02Å; S133-D137 VanDerWaalsContact O-OD2 3.14Å; I134-D137 PolarHBondContact O-N 2.84Å; D137-F140 PolarHBondContact O-N 3.33Å; D137-K141 PolarHBondContact O-N 2.99Å |
| 138 | I | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 171.4 | -73.4 | 168.4 | 0 | 0 | 0 | 111.2 | I106 L110 I112 L115 I134 W135 R136 F140 K141 L142 A175 L392 | I106-I138 HydrophobicContact CD1-CD1 4.37Å; L110-I138 HydrophobicContact CD1-CB 4.09Å; L110-I138 HydrophobicContact CD1-CG1 3.77Å; L110-I138 HydrophobicContact CD1-CG2 4.03Å; L110-I138 HydrophobicContact CD2-CG2 4.09Å; L110-I138 HydrophobicContact CG-CG2 4.3Å; I112-I138 HydrophobicContact CD1-CG2 3.76Å; I112-I138 HydrophobicContact CG1-CD1 4.21Å; I112-I138 HydrophobicContact CG1-CG2 4.36Å; L115-I138 HydrophobicContact CD1-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 VanDerWaalsContact O-CG1 3.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.18Å; W135-I138 HydrophobicContact CD2-CD1 4.37Å; W135-I138 HydrophobicContact CE3-CD1 4.02Å; W135-I138 HydrophobicContact CZ3-CD1 4.41Å; W135-I138 WeakPolarHBondContact O-CB 3.46Å; W135-I138 PolarHBondContact O-N 2.95Å; R136-I138 VanDerWaalsContact C-N 3.28Å; R136-I138 PolarHBondContact O-N 3.17Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; I138-K141 PolarHBondContact O-N 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.87Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 3.33Å; I138-A175 HydrophobicContact CG2-CB 4.02Å; I138-L392 HydrophobicContact CG1-CD1 4.39Å |
| 139 | C | 87.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 178 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | W135 R136 K141 L142 W143 W171 | W135-C139 PolarHBondContact O-N 3.05Å; W135-C139 PolarHBondContact O-SG 3.49Å; R136-C139 WeakPolarHBondContact O-CB 3.47Å; R136-C139 PolarHBondContact O-N 3Å; R136-C139 VanDerWaalsContact O-N 3.15Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 2.88Å; C139-L142 PolarHBondContact O-N 3.35Å; C139-W143 HydrophobicContact CB-CE3 4.36Å; C139-W143 HydrophobicContact CB-CZ3 4.42Å; C139-W143 PolarHBondContact O-N 3.45Å; C139-W171 HydrophobicContact CB-CE3 3.88Å; C139-W171 HydrophobicContact CB-CZ3 4.18Å; C139-W171 PolarHBondContact SG-O 2.92Å; C139-W171 VanDerWaalsContact SG-O 3.39Å |
| 140 | F | 83 | Confident | 77.8 | Confident | 60 Ų | 60 | 49 Ų | 49 | 26% | 0.263 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 174.7 | -81.6 | -66.7 | 0 | 0 | 0 | 112.3 | R136 D137 I138 P144 L147 | R136-F140 HydrophobicContact CG-CD2 3.85Å; R136-F140 HydrophobicContact CG-CE2 3.47Å; R136-F140 VanDerWaalsContact CG-CE2 3.47Å; R136-F140 WeakPolarHBondContact O-CD2 3.29Å; R136-F140 PolarHBondContact O-N 3.42Å; D137-F140 PolarHBondContact O-N 3.33Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; F140-P144 WeakPolarHBondContact O-CA 3.49Å; F140-L147 HydrophobicContact CD1-CB 3.92Å; F140-L147 HydrophobicContact CD1-CD1 3.07Å; F140-L147 HydrophobicContact CD1-CD2 4.29Å; F140-L147 HydrophobicContact CD1-CG 3.85Å; F140-L147 HydrophobicContact CE1-CB 3.67Å; F140-L147 HydrophobicContact CE1-CD1 3.26Å; F140-L147 HydrophobicContact CE1-CD2 3.55Å; F140-L147 HydrophobicContact CE1-CG 3.59Å; F140-L147 HydrophobicContact CG-CD1 3.89Å; F140-L147 HydrophobicContact CZ-CD1 4.19Å; F140-L147 HydrophobicContact CZ-CD2 4.11Å |
| 141 | K | 83.4 | Confident | 75.8 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 178.4 | -162.2 | 87.7 | 172.2 | -166.5 | 0 | 112.1 | L110 D137 I138 C139 V221 S390 L392 | L110-K141 HydrophobicContact CD1-CB 4.28Å; L110-K141 HydrophobicContact CD1-CG 4.44Å; D137-K141 PolarHBondContact O-N 2.99Å; I138-K141 PolarHBondContact O-N 3.33Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 2.88Å; K141-V221 HydrophobicContact CG-CG1 4.03Å; K141-S390 PolarHBondContact NZ-O 3.2Å; K141-L392 HydrophobicContact CB-CD2 4.11Å; K141-L392 HydrophobicContact CD-CD2 4.18Å; K141-L392 HydrophobicContact CG-CD2 4.29Å |
| 142 | L | 85.2 | Confident | 73.7 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.8 | -36 | -178.9 | -76.5 | 170.9 | 0 | 0 | 0 | 113.1 | L110 I138 C139 Q180 Y183 | L110-L142 HydrophobicContact CD2-CD1 3.7Å; L110-L142 HydrophobicContact CD2-CD2 3.27Å; L110-L142 HydrophobicContact CD2-CG 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.87Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 3.33Å; C139-L142 PolarHBondContact O-N 3.35Å; L142-Q180 VanDerWaalsContact CD1-OE1 3.25Å; L142-Y183 HydrophobicContact CD2-CE2 3.59Å |
| 143 | W | 82.9 | Confident | 71.7 | Confident | 6 Ų | 6 | 61 Ų | 61 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | trans | -135.7 | 66.6 | -172.7 | -56.9 | -67.8 | 0 | 0 | 0 | 112.4 | C139 W146 M174 R178 P179 Q180 W287 | C139-W143 HydrophobicContact CB-CE3 4.36Å; C139-W143 HydrophobicContact CB-CZ3 4.42Å; C139-W143 PolarHBondContact O-N 3.45Å; W143-W146 HydrophobicContact CB-CB 4.45Å; W143-M174 HydrophobicContact CE3-CE 4.11Å; W143-M174 HydrophobicContact CZ3-CE 4.41Å; W143-R178 HydrophobicContact CH2-CB 3.96Å; W143-R178 HydrophobicContact CH2-CG 4.23Å; W143-R178 HydrophobicContact CZ2-CB 4.2Å; W143-R178 HydrophobicContact CZ2-CG 4.06Å; W143-P179 WeakPolarHBondContact CZ2-O 3.42Å; W143-Q180 HydrophobicContact CH2-CB 4.36Å; W143-Q180 HydrophobicContact CZ2-CB 3.76Å; W143-W287 AromaticContact CD1-CD1 3.97Å; W143-W287 AromaticContact CD1-CE2 3.71Å; W143-W287 AromaticContact CD1-NE1 3.48Å; W143-W287 AromaticContact NE1-CE2 3.38Å; W143-W287 AromaticContact NE1-CZ2 3.31Å; W143-W287 VanDerWaalsContact NE1-CZ2 3.31Å; W143-W287 AromaticContact NE1-NE1 3.56Å | ||
| 144 | P | 72.2 | Confident | 69.7 | Low | 59 Ų | 59 | 62 Ų | 62 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | -172.8 | 25.2 | -33.9 | 0 | 0 | 0 | 113.4 | F140 W146 L147 | F140-P144 WeakPolarHBondContact O-CA 3.49Å; P144-W146 PolarHBondContact O-N 3.34Å; P144-W146 VanDerWaalsContact O-N 3.16Å; P144-L147 PolarHBondContact O-N 2.98Å |
| 145 | V | 65.3 | Low | 67.9 | Low | 116 Ų | 116 | 64.5 Ų | 64.5 | 70% | 0.703 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.4 | -37.8 | -178.3 | 176.3 | 0 | 0 | 0 | 0 | 111 | L147 T148 | V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.15Å; V145-T148 PolarHBondContact O-N 3.4Å; V145-T148 PolarHBondContact O-OG1 2.6Å |
| 146 | W | 58.5 | Low | 66.2 | Low | 69 Ų | 69 | 68.6 Ų | 68.6 | 26% | 0.261 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.4 | -25.9 | -172.1 | -176.1 | 76.6 | 0 | 0 | 0 | 113.3 | W143 P144 Y162 | W143-W146 HydrophobicContact CB-CB 4.45Å; P144-W146 PolarHBondContact O-N 3.34Å; P144-W146 VanDerWaalsContact O-N 3.16Å; W146-Y162 AromaticContact CD2-CE1 3.99Å; W146-Y162 HydrophobicContact CD2-CE1 3.99Å; W146-Y162 AromaticContact CD2-CE2 3.91Å; W146-Y162 HydrophobicContact CD2-CE2 3.91Å; W146-Y162 AromaticContact CD2-CZ 3.42Å; W146-Y162 VanDerWaalsContact CD2-CZ 3.42Å; W146-Y162 AromaticContact CE2-CD2 3.78Å; W146-Y162 AromaticContact CE2-CE1 3.98Å; W146-Y162 AromaticContact CE2-CE2 3.09Å; W146-Y162 AromaticContact CE2-CZ 3.13Å; W146-Y162 HydrophobicContact CE3-CD1 4.14Å; W146-Y162 AromaticContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE1 3.48Å; W146-Y162 VanDerWaalsContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE2 4.18Å; W146-Y162 AromaticContact CE3-CZ 3.44Å; W146-Y162 VanDerWaalsContact CE3-CZ 3.44Å; W146-Y162 AromaticContact CH2-CD1 3.1Å; W146-Y162 HydrophobicContact CH2-CD1 3.1Å; W146-Y162 AromaticContact CH2-CD2 3.05Å; W146-Y162 HydrophobicContact CH2-CD2 3.05Å; W146-Y162 AromaticContact CH2-CE1 3.23Å; W146-Y162 HydrophobicContact CH2-CE1 3.23Å; W146-Y162 AromaticContact CH2-CE2 3.21Å; W146-Y162 HydrophobicContact CH2-CE2 3.21Å; W146-Y162 AromaticContact CH2-CG 2.94Å; W146-Y162 HydrophobicContact CH2-CG 2.94Å; W146-Y162 AromaticContact CH2-CZ 3.23Å; W146-Y162 AromaticContact CZ2-CD1 3.86Å; W146-Y162 HydrophobicContact CZ2-CD1 3.86Å; W146-Y162 AromaticContact CZ2-CD2 2.93Å; W146-Y162 HydrophobicContact CZ2-CD2 2.93Å; W146-Y162 AromaticContact CZ2-CE1 3.72Å; W146-Y162 HydrophobicContact CZ2-CE1 3.72Å; W146-Y162 AromaticContact CZ2-CE2 2.77Å; W146-Y162 HydrophobicContact CZ2-CE2 2.77Å; W146-Y162 AromaticContact CZ2-CG 3.44Å; W146-Y162 HydrophobicContact CZ2-CG 3.44Å; W146-Y162 VanDerWaalsContact CZ2-CG 3.44Å; W146-Y162 AromaticContact CZ2-CZ 3.14Å; W146-Y162 AromaticContact CZ3-CD1 3.19Å; W146-Y162 HydrophobicContact CZ3-CD1 3.19Å; W146-Y162 AromaticContact CZ3-CD2 3.96Å; W146-Y162 HydrophobicContact CZ3-CD2 3.96Å; W146-Y162 AromaticContact CZ3-CE1 3Å; W146-Y162 HydrophobicContact CZ3-CE1 3Å; W146-Y162 AromaticContact CZ3-CE2 3.83Å; W146-Y162 HydrophobicContact CZ3-CE2 3.83Å; W146-Y162 AromaticContact CZ3-CG 3.62Å; W146-Y162 HydrophobicContact CZ3-CG 3.62Å; W146-Y162 AromaticContact CZ3-CZ 3.3Å; W146-Y162 AromaticContact NE1-CE2 3.62Å; W146-Y162 AromaticContact NE1-CZ 3.79Å; W146-Y162 PolarHBondContact NE1-OH 3.43Å |
| 147 | L | 55.5 | Low | 64.6 | Low | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -90.8 | -19.2 | 178.8 | -75.7 | 142.7 | 0 | 0 | 0 | 113.2 | F140 P144 V145 N150 N151 | F140-L147 HydrophobicContact CD1-CB 3.92Å; F140-L147 HydrophobicContact CD1-CD1 3.07Å; F140-L147 HydrophobicContact CD1-CD2 4.29Å; F140-L147 HydrophobicContact CD1-CG 3.85Å; F140-L147 HydrophobicContact CE1-CB 3.67Å; F140-L147 HydrophobicContact CE1-CD1 3.26Å; F140-L147 HydrophobicContact CE1-CD2 3.55Å; F140-L147 HydrophobicContact CE1-CG 3.59Å; F140-L147 HydrophobicContact CG-CD1 3.89Å; F140-L147 HydrophobicContact CZ-CD1 4.19Å; F140-L147 HydrophobicContact CZ-CD2 4.11Å; P144-L147 PolarHBondContact O-N 2.98Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.15Å; L147-N150 PolarHBondContact O-N 2.98Å; L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 3.37Å; L147-N151 VanDerWaalsContact O-N 3.13Å; L147-N151 PolarHBondContact O-ND2 3.01Å |
| 148 | T | 52.8 | Low | 63.4 | Low | 86 Ų | 86 | 73.3 Ų | 73.3 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.7 | -34.1 | 175.4 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | V145 N150 N151 | V145-T148 PolarHBondContact O-N 3.4Å; V145-T148 PolarHBondContact O-OG1 2.6Å; T148-N150 PolarHBondContact O-N 3.25Å; T148-N151 PolarHBondContact O-N 3.2Å |
| 149 | Y | 51.3 | Low | 62.3 | Low | 213 Ų | 213 | 76 Ų | 76 | 84% | 0.835 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.3 | 178.6 | -172.9 | -102.7 | 0 | 0 | 0 | 112.8 | ||
| 150 | N | 48.8 | Very low | 61.3 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -18.8 | -177.9 | -120.9 | 5 | 0 | 0 | 0 | 111.5 | L147 T148 N152 I154 | L147-N150 PolarHBondContact O-N 2.98Å; T148-N150 PolarHBondContact O-N 3.25Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N150-I154 HydrophobicContact CB-CD1 3.29Å; N150-I154 WeakPolarHBondContact O-CD1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å |
| 151 | N | 48.5 | Very low | 60.6 | Low | 92 Ų | 92 | 81.4 Ų | 81.4 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -67.7 | -11.7 | -168.9 | -95.1 | -18.8 | 0 | 0 | 0 | 117.6 | L147 T148 N153 | L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 3.37Å; L147-N151 VanDerWaalsContact O-N 3.13Å; L147-N151 PolarHBondContact O-ND2 3.01Å; T148-N151 PolarHBondContact O-N 3.2Å; N151-N153 PolarHBondContact O-N 3.43Å |
| 152 | N | 48.4 | Very low | 59.9 | Low | 153 Ų | 153 | 79 Ų | 79 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -69.8 | -5.1 | -176.3 | -74.6 | -9.1 | 0 | 0 | 0 | 114.3 | N150 | N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 VanDerWaalsContact O-N 3.08Å |
| 153 | N | 46.1 | Very low | 59.4 | Low | 152 Ų | 152 | 79 Ų | 79 | 81% | 0.813 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -171.3 | 81.8 | 166.4 | -103.8 | -28 | 0 | 0 | 0 | 111.8 | N151 | N151-N153 PolarHBondContact O-N 3.43Š|
| 154 | I | 47.9 | Very low | 59.1 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 23% | 0.226 | 46% | 0.456 | C | S | . | . | trans | -138.9 | 105 | -177 | -67.1 | -173 | 0 | 0 | 0 | 113.5 | N150 N158 Q159 | N150-I154 HydrophobicContact CB-CD1 3.29Å; N150-I154 WeakPolarHBondContact O-CD1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å; I154-N158 HydrophobicContact CB-CB 4.31Å; I154-N158 HydrophobicContact CD1-CB 3.66Å; I154-N158 HydrophobicContact CG1-CB 3.87Å; I154-N158 WeakPolarHBondContact CG1-ND2 3.33Å; I154-N158 HydrophobicContact CG2-CB 3.57Å; I154-Q159 HydrophobicContact CG2-CG 4.48Å | ||
| 155 | G | 54 | Low | 59.3 | Low | 53 Ų | 53 | 83 Ų | 83 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | trans | -71 | 174.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N157 N158 | G155-N157 PolarHBondContact O-N 3.39Å; G155-N158 PolarHBondContact O-N 3.03Å | ||
| 156 | C | 54 | Low | 59.9 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 64% | 0.642 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -48.9 | -25.2 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | N158 Q159 | C156-N158 PolarHBondContact O-N 3.4Å; C156-Q159 WeakPolarHBondContact O-CB 3.1Å; C156-Q159 PolarHBondContact O-N 3.38Å |
| 157 | N | 54.5 | Low | 61.1 | Low | 128 Ų | 128 | 82.4 Ų | 82.4 | 68% | 0.684 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -37.8 | -176.1 | -66.6 | -22.6 | 0 | 0 | 0 | 114 | G155 Q159 L160 S161 | G155-N157 PolarHBondContact O-N 3.39Å; N157-Q159 VanDerWaalsContact C-N 3.28Å; N157-Q159 PolarHBondContact O-N 3.25Å; N157-L160 PolarHBondContact O-N 3.42Å; N157-S161 PolarHBondContact O-N 3.41Å |
| 158 | N | 61.7 | Low | 62.6 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -82.4 | -11 | -177.3 | -49.2 | -6.5 | 0 | 0 | 0 | 112.3 | I154 G155 C156 S161 Y162 | I154-N158 HydrophobicContact CB-CB 4.31Å; I154-N158 HydrophobicContact CD1-CB 3.66Å; I154-N158 HydrophobicContact CG1-CB 3.87Å; I154-N158 WeakPolarHBondContact CG1-ND2 3.33Å; I154-N158 HydrophobicContact CG2-CB 3.57Å; G155-N158 PolarHBondContact O-N 3.03Å; C156-N158 PolarHBondContact O-N 3.4Å; N158-S161 VanDerWaalsContact CA-OG 3.27Å; N158-S161 WeakPolarHBondContact CA-OG 3.49Å; N158-S161 PolarHBondContact O-OG 2.87Å; N158-Y162 PolarHBondContact O-N 3.45Å |
| 159 | Q | 67.6 | Low | 64.1 | Low | 57 Ų | 57 | 84.5 Ų | 84.5 | 27% | 0.266 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 169.5 | -74.1 | -176.6 | 0.8 | 0 | 0 | 111.2 | I154 C156 N157 Y162 L163 W171 | I154-Q159 HydrophobicContact CG2-CG 4.48Å; C156-Q159 WeakPolarHBondContact O-CB 3.1Å; C156-Q159 PolarHBondContact O-N 3.38Å; N157-Q159 VanDerWaalsContact C-N 3.28Å; N157-Q159 PolarHBondContact O-N 3.25Å; Q159-Y162 PolarHBondContact O-N 3.45Å; Q159-L163 PolarHBondContact O-N 3.09Å; Q159-W171 HydrophobicContact CB-CZ2 3.91Å; Q159-W171 HydrophobicContact CG-CZ2 4.23Å |
| 160 | L | 66.7 | Low | 65.8 | Low | 110 Ų | 110 | 76.1 Ų | 76.1 | 58% | 0.576 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72.9 | -38.1 | 180 | -166.2 | 68.2 | 0 | 0 | 0 | 112 | N157 Y162 L163 S164 | N157-L160 PolarHBondContact O-N 3.42Å; L160-Y162 PolarHBondContact O-N 2.99Å; L160-L163 HydrophobicContact CD1-CD1 4.43Å; L160-L163 PolarHBondContact O-N 3.44Å; L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 VanDerWaalsContact O-N 3.09Å; L160-S164 PolarHBondContact O-OG 3.5Å; L160-S164 VanDerWaalsContact O-OG 3.14Å |
| 161 | S | 67.2 | Low | 67.7 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.3 | -33.1 | 174.8 | 70.1 | 0 | 0 | 0 | 0 | 111.8 | N157 N158 S164 S165 | N157-S161 PolarHBondContact O-N 3.41Å; N158-S161 VanDerWaalsContact CA-OG 3.27Å; N158-S161 WeakPolarHBondContact CA-OG 3.49Å; N158-S161 PolarHBondContact O-OG 2.87Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S165 PolarHBondContact O-N 3.13Å |
| 162 | Y | 69.1 | Low | 69.7 | Low | 9 Ų | 9 | 71.3 Ų | 71.3 | 4% | 0.035 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.7 | -48.5 | 176.3 | 174.4 | -108.7 | 0 | 0 | 0 | 113.5 | W146 N158 Q159 L160 S164 S165 M166 M174 | W146-Y162 AromaticContact CD2-CE1 3.99Å; W146-Y162 HydrophobicContact CD2-CE1 3.99Å; W146-Y162 AromaticContact CD2-CE2 3.91Å; W146-Y162 HydrophobicContact CD2-CE2 3.91Å; W146-Y162 AromaticContact CD2-CZ 3.42Å; W146-Y162 VanDerWaalsContact CD2-CZ 3.42Å; W146-Y162 AromaticContact CE2-CD2 3.78Å; W146-Y162 AromaticContact CE2-CE1 3.98Å; W146-Y162 AromaticContact CE2-CE2 3.09Å; W146-Y162 AromaticContact CE2-CZ 3.13Å; W146-Y162 HydrophobicContact CE3-CD1 4.14Å; W146-Y162 AromaticContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE1 3.48Å; W146-Y162 VanDerWaalsContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE2 4.18Å; W146-Y162 AromaticContact CE3-CZ 3.44Å; W146-Y162 VanDerWaalsContact CE3-CZ 3.44Å; W146-Y162 AromaticContact CH2-CD1 3.1Å; W146-Y162 HydrophobicContact CH2-CD1 3.1Å; W146-Y162 AromaticContact CH2-CD2 3.05Å; W146-Y162 HydrophobicContact CH2-CD2 3.05Å; W146-Y162 AromaticContact CH2-CE1 3.23Å; W146-Y162 HydrophobicContact CH2-CE1 3.23Å; W146-Y162 AromaticContact CH2-CE2 3.21Å; W146-Y162 HydrophobicContact CH2-CE2 3.21Å; W146-Y162 AromaticContact CH2-CG 2.94Å; W146-Y162 HydrophobicContact CH2-CG 2.94Å; W146-Y162 AromaticContact CH2-CZ 3.23Å; W146-Y162 AromaticContact CZ2-CD1 3.86Å; W146-Y162 HydrophobicContact CZ2-CD1 3.86Å; W146-Y162 AromaticContact CZ2-CD2 2.93Å; W146-Y162 HydrophobicContact CZ2-CD2 2.93Å; W146-Y162 AromaticContact CZ2-CE1 3.72Å; W146-Y162 HydrophobicContact CZ2-CE1 3.72Å; W146-Y162 AromaticContact CZ2-CE2 2.77Å; W146-Y162 HydrophobicContact CZ2-CE2 2.77Å; W146-Y162 AromaticContact CZ2-CG 3.44Å; W146-Y162 HydrophobicContact CZ2-CG 3.44Å; W146-Y162 VanDerWaalsContact CZ2-CG 3.44Å; W146-Y162 AromaticContact CZ2-CZ 3.14Å; W146-Y162 AromaticContact CZ3-CD1 3.19Å; W146-Y162 HydrophobicContact CZ3-CD1 3.19Å; W146-Y162 AromaticContact CZ3-CD2 3.96Å; W146-Y162 HydrophobicContact CZ3-CD2 3.96Å; W146-Y162 AromaticContact CZ3-CE1 3Å; W146-Y162 HydrophobicContact CZ3-CE1 3Å; W146-Y162 AromaticContact CZ3-CE2 3.83Å; W146-Y162 HydrophobicContact CZ3-CE2 3.83Å; W146-Y162 AromaticContact CZ3-CG 3.62Å; W146-Y162 HydrophobicContact CZ3-CG 3.62Å; W146-Y162 AromaticContact CZ3-CZ 3.3Å; W146-Y162 AromaticContact NE1-CE2 3.62Å; W146-Y162 AromaticContact NE1-CZ 3.79Å; W146-Y162 PolarHBondContact NE1-OH 3.43Å; N158-Y162 PolarHBondContact O-N 3.45Å; Q159-Y162 PolarHBondContact O-N 3.45Å; L160-Y162 PolarHBondContact O-N 2.99Å; Y162-S164 PolarHBondContact O-N 3.24Å; Y162-S165 WeakPolarHBondContact CA-OG 3.27Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.27Å; Y162-S165 WeakPolarHBondContact O-CA 3.33Å; Y162-S165 WeakPolarHBondContact O-CB 3.3Å; Y162-S165 PolarHBondContact O-N 3.27Å; Y162-S165 PolarHBondContact O-OG 2.64Å; Y162-M166 HydrophobicContact CD2-CG 4.11Å; Y162-M166 HydrophobicContact CE1-CG 3.92Å; Y162-M166 HydrophobicContact CE2-CE 3.41Å; Y162-M166 VanDerWaalsContact CE2-CE 3.41Å; Y162-M166 HydrophobicContact CE2-CG 3.32Å; Y162-M166 HydrophobicContact CE2-SD 4.2Å; Y162-M166 PolarHBondContact O-N 3.37Å; Y162-M166 WeakPolarHBondContact OH-CG 3.3Å; Y162-M174 HydrophobicContact CE1-CE 3.72Å; Y162-M174 HydrophobicContact CE1-SD 4.04Å |
| 163 | L | 75.2 | Confident | 71.5 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -50.1 | -44.3 | 174.6 | -76.4 | 173.2 | 0 | 0 | 0 | 109.6 | Q159 L160 M166 N167 Y168 W171 M174 | Q159-L163 PolarHBondContact O-N 3.09Å; L160-L163 HydrophobicContact CD1-CD1 4.43Å; L160-L163 PolarHBondContact O-N 3.44Å; L163-M166 CarbonylContact O-C 3.51Å; L163-M166 PolarHBondContact O-N 3.38Å; L163-N167 PolarHBondContact O-N 2.82Å; L163-N167 VanDerWaalsContact O-N 3.14Å; L163-Y168 CarbonylContact C-O 3.59Å; L163-Y168 WeakPolarHBondContact CB-O 3.42Å; L163-Y168 PolarHBondContact O-N 3.01Å; L163-W171 HydrophobicContact CD1-CD2 4.14Å; L163-W171 HydrophobicContact CD1-CG 4.33Å; L163-W171 HydrophobicContact CD2-CD2 4.26Å; L163-W171 HydrophobicContact CD2-CE3 4.05Å; L163-W171 HydrophobicContact CD2-CZ3 4.39Å; L163-W171 HydrophobicContact CG-CD2 4.48Å; L163-M174 HydrophobicContact CD2-CB 4.12Å; L163-M174 HydrophobicContact CD2-SD 4Å |
| 164 | S | 76.8 | Confident | 73.5 | Confident | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | L160 S161 Y162 M166 N167 | L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 VanDerWaalsContact O-N 3.09Å; L160-S164 PolarHBondContact O-OG 3.5Å; L160-S164 VanDerWaalsContact O-OG 3.14Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; Y162-S164 PolarHBondContact O-N 3.24Å; S164-M166 PolarHBondContact O-N 3.01Å; S164-N167 PolarHBondContact O-N 2.85Å |
| 165 | S | 75.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 55 Ų | 55 | 53% | 0.531 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -28.6 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 113.5 | S161 Y162 | S161-S165 PolarHBondContact O-N 3.13Å; Y162-S165 WeakPolarHBondContact CA-OG 3.27Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.27Å; Y162-S165 WeakPolarHBondContact O-CA 3.33Å; Y162-S165 WeakPolarHBondContact O-CB 3.3Å; Y162-S165 PolarHBondContact O-N 3.27Å; Y162-S165 PolarHBondContact O-OG 2.64Å |
| 166 | M | 76.6 | Confident | 77.3 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.9 | 176.5 | -69.4 | -65.7 | 161.1 | 0 | 0 | 113.2 | Y162 L163 S164 Y168 H290 | Y162-M166 HydrophobicContact CD2-CG 4.11Å; Y162-M166 HydrophobicContact CE1-CG 3.92Å; Y162-M166 HydrophobicContact CE2-CE 3.41Å; Y162-M166 VanDerWaalsContact CE2-CE 3.41Å; Y162-M166 HydrophobicContact CE2-CG 3.32Å; Y162-M166 HydrophobicContact CE2-SD 4.2Å; Y162-M166 PolarHBondContact O-N 3.37Å; Y162-M166 WeakPolarHBondContact OH-CG 3.3Å; L163-M166 CarbonylContact O-C 3.51Å; L163-M166 PolarHBondContact O-N 3.38Å; S164-M166 PolarHBondContact O-N 3.01Å; M166-Y168 HydrophobicContact CB-CD2 3.53Å; M166-Y168 HydrophobicContact CB-CE2 3.82Å; M166-Y168 PolarHBondContact O-N 2.65Å; M166-H290 WeakPolarHBondContact CE-CE1 3.23Å |
| 167 | N | 85.2 | Confident | 79 | Confident | 128 Ų | 128 | 51.2 Ų | 51.2 | 68% | 0.684 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.5 | -176.6 | -56 | -46.9 | 0 | 0 | 0 | 114.1 | L163 S164 | L163-N167 PolarHBondContact O-N 2.82Å; L163-N167 VanDerWaalsContact O-N 3.14Å; S164-N167 PolarHBondContact O-N 2.85Å |
| 168 | Y | 86.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | trans | -105.5 | 146.8 | 170.1 | -63 | -63.1 | 0 | 0 | 0 | 110.7 | L163 M166 E173 M174 R178 | L163-Y168 CarbonylContact C-O 3.59Å; L163-Y168 WeakPolarHBondContact CB-O 3.42Å; L163-Y168 PolarHBondContact O-N 3.01Å; M166-Y168 HydrophobicContact CB-CD2 3.53Å; M166-Y168 HydrophobicContact CB-CE2 3.82Å; M166-Y168 PolarHBondContact O-N 2.65Å; Y168-E173 HydrophobicContact CD1-CG 4.03Å; Y168-M174 HydrophobicContact CD1-CB 4.44Å; Y168-M174 HydrophobicContact CD2-CB 3.89Å; Y168-M174 HydrophobicContact CD2-CG 3.79Å; Y168-M174 HydrophobicContact CE2-CB 4.41Å; Y168-M174 HydrophobicContact CE2-CG 4Å; Y168-M174 HydrophobicContact CG-CB 3.93Å; Y168-M174 HydrophobicContact CG-CG 4.34Å; Y168-R178 HydrophobicContact CE2-CB 4.31Å; Y168-R178 HydrophobicContact CE2-CG 4.49Å; Y168-R178 WeakPolarHBondContact OH-CA 3.43Å | ||
| 169 | T | 85 | Confident | 82.1 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -98.3 | -23.4 | -179.5 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | E173 | T169-E173 WeakPolarHBondContact CA-OE2 3.34Å; T169-E173 WeakPolarHBondContact CB-OE2 3.41Å; T169-E173 PolarHBondContact N-OE2 3.05Å; T169-E173 PolarHBondContact OG1-OE2 3.24Å |
| 170 | S | 86.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -145.8 | 158.6 | -179.2 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | R172 E173 M174 | S170-R172 VanDerWaalsContact C-N 3.25Å; S170-R172 PolarHBondContact O-N 3.41Å; S170-E173 PolarHBondContact O-N 3.1Å; S170-E173 VanDerWaalsContact OG-CB 3.3Å; S170-E173 WeakPolarHBondContact OG-CB 3.21Å; S170-E173 PolarHBondContact OG-N 3.23Å; S170-E173 VanDerWaalsContact OG-N 3.13Å; S170-M174 PolarHBondContact O-N 3.3Å |
| 171 | W | 88.5 | Confident | 84.4 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.038 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 174.5 | -67.8 | 109 | 0 | 0 | 0 | 112.6 | N132 W135 R136 C139 Q159 L163 M174 A175 | N132-W171 VanDerWaalsContact OD1-CD1 3.3Å; W135-W171 HydrophobicContact CB-CB 3.95Å; R136-W171 HydrophobicContact CB-CB 4.43Å; R136-W171 HydrophobicContact CB-CD2 4.07Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 4Å; R136-W171 HydrophobicContact CG-CG 4.33Å; R136-W171 HydrophobicContact CG-CZ2 3.98Å; C139-W171 HydrophobicContact CB-CE3 3.88Å; C139-W171 HydrophobicContact CB-CZ3 4.18Å; C139-W171 PolarHBondContact SG-O 2.92Å; C139-W171 VanDerWaalsContact SG-O 3.39Å; Q159-W171 HydrophobicContact CB-CZ2 3.91Å; Q159-W171 HydrophobicContact CG-CZ2 4.23Å; L163-W171 HydrophobicContact CD1-CD2 4.14Å; L163-W171 HydrophobicContact CD1-CG 4.33Å; L163-W171 HydrophobicContact CD2-CD2 4.26Å; L163-W171 HydrophobicContact CD2-CE3 4.05Å; L163-W171 HydrophobicContact CD2-CZ3 4.39Å; L163-W171 HydrophobicContact CG-CD2 4.48Å; W171-M174 HydrophobicContact CE3-SD 4.23Å; W171-M174 HydrophobicContact CZ3-SD 4.2Å; W171-M174 PolarHBondContact O-N 3.4Å; W171-A175 WeakPolarHBondContact O-CB 3.43Å; W171-A175 PolarHBondContact O-N 2.79Å |
| 172 | R | 90.2 | Very high | 85.5 | Confident | 44 Ų | 44 | 34.7 Ų | 34.7 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.5 | 179.5 | 175.5 | -178.9 | -70.1 | 7 | 111.8 | E56 N130 W135 S170 M174 A175 I176 | E56-R172 IonicContact OE1-CZ 3.65Å; E56-R172 IonicContact OE1-NH1 3.54Å; E56-R172 PolarHBondContact OE1-NH1 3.42Å; E56-R172 IonicContact OE1-NH2 3.51Å; E56-R172 PolarHBondContact OE1-NH2 3.24Å; E56-R172 IonicContact OE2-CZ 2.92Å; E56-R172 IonicContact OE2-NH1 3.32Å; E56-R172 PolarHBondContact OE2-NH1 3.33Å; E56-R172 IonicContact OE2-NH2 3.74Å; N130-R172 WeakPolarHBondContact OD1-CD 3.37Å; N130-R172 PolarHBondContact OD1-NE 2.96Å; W135-R172 HydrophobicContact CB-CB 4.14Å; W135-R172 HydrophobicContact CD2-CB 3.66Å; W135-R172 HydrophobicContact CD2-CG 3.62Å; W135-R172 HydrophobicContact CE3-CB 4.09Å; W135-R172 HydrophobicContact CE3-CG 3.92Å; W135-R172 HydrophobicContact CG-CB 3.66Å; W135-R172 HydrophobicContact CG-CG 4.12Å; W135-R172 HydrophobicContact CH2-CG 4Å; W135-R172 HydrophobicContact CZ2-CG 3.75Å; W135-R172 HydrophobicContact CZ3-CG 4.09Å; S170-R172 VanDerWaalsContact C-N 3.25Å; S170-R172 PolarHBondContact O-N 3.41Å; R172-M174 VanDerWaalsContact C-N 3.31Å; R172-M174 PolarHBondContact O-N 3.02Å; R172-A175 PolarHBondContact O-N 2.68Å; R172-I176 HydrophobicContact CG-CD1 3.79Å; R172-I176 VanDerWaalsContact NH1-CD1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.41Å; R172-I176 PolarHBondContact O-N 2.61Å |
| 173 | E | 87.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 176.3 | -173.1 | -176.7 | -168.7 | 0 | 0 | 110.9 | Y168 T169 S170 A175 I176 Y177 | Y168-E173 HydrophobicContact CD1-CG 4.03Å; T169-E173 WeakPolarHBondContact CA-OE2 3.34Å; T169-E173 WeakPolarHBondContact CB-OE2 3.41Å; T169-E173 PolarHBondContact N-OE2 3.05Å; T169-E173 PolarHBondContact OG1-OE2 3.24Å; S170-E173 PolarHBondContact O-N 3.1Å; S170-E173 VanDerWaalsContact OG-CB 3.3Å; S170-E173 WeakPolarHBondContact OG-CB 3.21Å; S170-E173 PolarHBondContact OG-N 3.23Å; S170-E173 VanDerWaalsContact OG-N 3.13Å; E173-A175 PolarHBondContact O-N 3.29Å; E173-I176 PolarHBondContact O-N 3.38Å; E173-Y177 HydrophobicContact CB-CD2 4.41Å; E173-Y177 HydrophobicContact CG-CD2 3.54Å; E173-Y177 HydrophobicContact CG-CE2 3.92Å; E173-Y177 VanDerWaalsContact O-CD2 3.28Å; E173-Y177 WeakPolarHBondContact O-CD2 3.4Å; E173-Y177 PolarHBondContact O-N 2.93Å |
| 174 | M | 88.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.9 | -176.8 | -175.9 | 174.2 | 0 | 0 | 111.5 | W143 Y162 L163 Y168 S170 W171 R172 I176 R178 | W143-M174 HydrophobicContact CE3-CE 4.11Å; W143-M174 HydrophobicContact CZ3-CE 4.41Å; Y162-M174 HydrophobicContact CE1-CE 3.72Å; Y162-M174 HydrophobicContact CE1-SD 4.04Å; L163-M174 HydrophobicContact CD2-CB 4.12Å; L163-M174 HydrophobicContact CD2-SD 4Å; Y168-M174 HydrophobicContact CD1-CB 4.44Å; Y168-M174 HydrophobicContact CD2-CB 3.89Å; Y168-M174 HydrophobicContact CD2-CG 3.79Å; Y168-M174 HydrophobicContact CE2-CB 4.41Å; Y168-M174 HydrophobicContact CE2-CG 4Å; Y168-M174 HydrophobicContact CG-CB 3.93Å; Y168-M174 HydrophobicContact CG-CG 4.34Å; S170-M174 PolarHBondContact O-N 3.3Å; W171-M174 HydrophobicContact CE3-SD 4.23Å; W171-M174 HydrophobicContact CZ3-SD 4.2Å; W171-M174 PolarHBondContact O-N 3.4Å; R172-M174 VanDerWaalsContact C-N 3.31Å; R172-M174 PolarHBondContact O-N 3.02Å; M174-I176 PolarHBondContact O-N 3.31Å; M174-R178 VanDerWaalsContact CE-CD 3.48Å; M174-R178 HydrophobicContact CG-CB 4.27Å; M174-R178 WeakPolarHBondContact O-CB 3.25Å; M174-R178 PolarHBondContact O-N 3.44Å |
| 175 | A | 89.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -31.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W135 I138 W171 R172 E173 Q180 | W135-A175 HydrophobicContact CE3-CB 3.55Å; W135-A175 HydrophobicContact CZ3-CB 3.82Å; I138-A175 HydrophobicContact CG2-CB 4.02Å; W171-A175 WeakPolarHBondContact O-CB 3.43Å; W171-A175 PolarHBondContact O-N 2.79Å; R172-A175 PolarHBondContact O-N 2.68Å; E173-A175 PolarHBondContact O-N 3.29Å; A175-Q180 PolarHBondContact O-NE2 2.94Å |
| 176 | I | 90 | Very high | 88.3 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 23% | 0.226 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -86.1 | -46.9 | -178.2 | -68.6 | 170.3 | 0 | 0 | 0 | 111.8 | W135 R172 E173 M174 L339 H340 | W135-I176 HydrophobicContact CH2-CD1 4.17Å; W135-I176 HydrophobicContact CH2-CG1 4.22Å; W135-I176 HydrophobicContact CZ3-CD1 4.42Å; W135-I176 HydrophobicContact CZ3-CG1 4.07Å; R172-I176 HydrophobicContact CG-CD1 3.79Å; R172-I176 VanDerWaalsContact NH1-CD1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.41Å; R172-I176 PolarHBondContact O-N 2.61Å; E173-I176 PolarHBondContact O-N 3.38Å; M174-I176 PolarHBondContact O-N 3.31Å; I176-L339 HydrophobicContact CG2-CD1 3.95Å; I176-L339 WeakPolarHBondContact O-CD1 3.25Å; I176-H340 PolarHBondContact O-CE1 2.75Å |
| 177 | Y | 90.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -97.3 | -27 | -168.4 | -64.8 | -68.1 | 0 | 0 | 0 | 113.9 | L49 E173 L339 H340 | L49-Y177 HydrophobicContact CB-CD1 4.05Å; L49-Y177 HydrophobicContact CB-CE1 3.75Å; L49-Y177 PolarHBondContact O-OH 3.29Å; E173-Y177 HydrophobicContact CB-CD2 4.41Å; E173-Y177 HydrophobicContact CG-CD2 3.54Å; E173-Y177 HydrophobicContact CG-CE2 3.92Å; E173-Y177 VanDerWaalsContact O-CD2 3.28Å; E173-Y177 WeakPolarHBondContact O-CD2 3.4Å; E173-Y177 PolarHBondContact O-N 2.93Å; Y177-L339 HydrophobicContact CD1-CD1 3.81Å; Y177-L339 HydrophobicContact CE1-CD1 4.1Å; Y177-H340 PolarHBondContact O-NE2 3.47Å |
| 178 | R | 90 | Very high | 89.8 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 5% | 0.053 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -61.6 | 131.2 | 175.8 | -168.5 | 179.4 | -174.6 | -72.3 | 9.4 | 108.9 | W143 Y168 M174 Q180 H340 | W143-R178 HydrophobicContact CH2-CB 3.96Å; W143-R178 HydrophobicContact CH2-CG 4.23Å; W143-R178 HydrophobicContact CZ2-CB 4.2Å; W143-R178 HydrophobicContact CZ2-CG 4.06Å; Y168-R178 HydrophobicContact CE2-CB 4.31Å; Y168-R178 HydrophobicContact CE2-CG 4.49Å; Y168-R178 WeakPolarHBondContact OH-CA 3.43Å; M174-R178 VanDerWaalsContact CE-CD 3.48Å; M174-R178 HydrophobicContact CG-CB 4.27Å; M174-R178 WeakPolarHBondContact O-CB 3.25Å; M174-R178 PolarHBondContact O-N 3.44Å; R178-Q180 PolarHBondContact O-N 2.75Å; R178-H340 PolarHBondContact O-CE1 2.75Å; R178-H340 PolarHBondContact O-NE2 2.95Å |
| 179 | P | 91.2 | Very high | 90.3 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 19% | 0.188 | 11% | 0.112 | C | C | . | . | trans | -51.6 | 131.8 | 177.3 | -26.6 | 34.5 | 0 | 0 | 0 | 111.5 | W143 W287 H290 D291 I332 | W143-P179 WeakPolarHBondContact CZ2-O 3.42Å; P179-W287 WeakPolarHBondContact O-CH2 3.38Å; P179-H290 WeakPolarHBondContact CB-O 2.82Å; P179-D291 HydrophobicContact CB-CB 4.15Å; P179-D291 HydrophobicContact CG-CB 3.85Å; P179-I332 HydrophobicContact CB-CB 4.19Å; P179-I332 HydrophobicContact CB-CD1 4.26Å; P179-I332 HydrophobicContact CB-CG2 4.15Å | ||
| 180 | Q | 90.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | trans | -144.5 | 154.5 | 178.9 | 80.3 | -164.9 | -68.9 | 0 | 0 | 110.7 | L142 W143 A175 R178 L182 H340 | L142-Q180 VanDerWaalsContact CD1-OE1 3.25Å; W143-Q180 HydrophobicContact CH2-CB 4.36Å; W143-Q180 HydrophobicContact CZ2-CB 3.76Å; A175-Q180 PolarHBondContact O-NE2 2.94Å; R178-Q180 PolarHBondContact O-N 2.75Å; Q180-L182 HydrophobicContact CG-CD2 4.45Å; Q180-H340 VanDerWaalsContact O-CB 3.24Å; Q180-H340 WeakPolarHBondContact O-CB 3.49Å | ||
| 181 | V | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -81.3 | 144.4 | 167.6 | -63.5 | 0 | 0 | 0 | 0 | 109.7 | Y183 F219 Y285 I293 I332 | V181-Y183 HydrophobicContact CG2-CD1 4.35Å; V181-Y183 HydrophobicContact CG2-CE1 3.51Å; V181-Y183 HydrophobicContact CG2-CE2 4.19Å; V181-Y183 VanDerWaalsContact CG2-CZ 3.42Å; V181-Y183 WeakPolarHBondContact CG2-OH 3.27Å; V181-Y183 WeakPolarHBondContact O-CD2 3.05Å; V181-Y183 WeakPolarHBondContact O-CE2 3.39Å; V181-F219 HydrophobicContact CB-CB 4.34Å; V181-F219 HydrophobicContact CB-CD1 4.24Å; V181-F219 HydrophobicContact CB-CD2 3.89Å; V181-F219 HydrophobicContact CB-CE2 4.29Å; V181-F219 HydrophobicContact CB-CG 3.88Å; V181-F219 HydrophobicContact CG1-CD1 4.1Å; V181-F219 HydrophobicContact CG1-CD2 4.12Å; V181-F219 HydrophobicContact CG1-CE1 4Å; V181-F219 HydrophobicContact CG1-CE2 4.05Å; V181-F219 HydrophobicContact CG1-CG 4.17Å; V181-F219 HydrophobicContact CG1-CZ 3.99Å; V181-F219 HydrophobicContact CG2-CB 3.92Å; V181-F219 HydrophobicContact CG2-CD1 4.04Å; V181-F219 HydrophobicContact CG2-CD2 4.35Å; V181-F219 HydrophobicContact CG2-CG 3.83Å; V181-Y285 HydrophobicContact CG2-CE2 4.35Å; V181-I293 HydrophobicContact CG1-CD1 3.42Å; V181-I293 VanDerWaalsContact CG1-CD1 3.42Å; V181-I293 HydrophobicContact CG1-CG2 4.44Å; V181-I332 HydrophobicContact CG1-CD1 4.12Å | ||
| 182 | L | 90.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 14% | 0.136 | 10% | 0.104 | C | C | . | . | trans | -93.6 | 130.3 | 179.7 | -61.9 | 176.4 | 0 | 0 | 0 | 110.9 | Q180 Y187 F377 | Q180-L182 HydrophobicContact CG-CD2 4.45Å; L182-Y187 HydrophobicContact CB-CE2 4.5Å; L182-Y187 PolarHBondContact N-OH 3.36Å; L182-F377 HydrophobicContact CB-CD1 4.49Å; L182-F377 HydrophobicContact CB-CD2 3.57Å; L182-F377 HydrophobicContact CB-CE1 4.27Å; L182-F377 HydrophobicContact CB-CE2 3.26Å; L182-F377 HydrophobicContact CB-CG 4.16Å; L182-F377 HydrophobicContact CB-CZ 3.63Å; L182-F377 HydrophobicContact CD1-CB 4.11Å; L182-F377 HydrophobicContact CD1-CD1 3.63Å; L182-F377 HydrophobicContact CD1-CD2 3.87Å; L182-F377 HydrophobicContact CD1-CE1 3.97Å; L182-F377 HydrophobicContact CD1-CE2 4.17Å; L182-F377 HydrophobicContact CD1-CG 3.56Å; L182-F377 HydrophobicContact CD1-CZ 4.19Å; L182-F377 HydrophobicContact CG-CD2 4.32Å; L182-F377 HydrophobicContact CG-CE2 4.36Å; L182-F377 HydrophobicContact CG-CG 4.49Å | ||
| 183 | Y | 87.9 | Confident | 91.6 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 4% | 0.043 | 11% | 0.109 | C | C | . | . | trans | -101.3 | -20.2 | -171.8 | -53.7 | -79.1 | 0 | 0 | 0 | 114.2 | L142 V181 G185 F219 V221 Y285 | L142-Y183 HydrophobicContact CD2-CE2 3.59Å; V181-Y183 HydrophobicContact CG2-CD1 4.35Å; V181-Y183 HydrophobicContact CG2-CE1 3.51Å; V181-Y183 HydrophobicContact CG2-CE2 4.19Å; V181-Y183 VanDerWaalsContact CG2-CZ 3.42Å; V181-Y183 WeakPolarHBondContact CG2-OH 3.27Å; V181-Y183 WeakPolarHBondContact O-CD2 3.05Å; V181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Y183-G185 PolarHBondContact O-N 3.06Å; Y183-F219 HydrophobicContact CD1-CB 3.92Å; Y183-F219 HydrophobicContact CE1-CB 3.94Å; Y183-V221 HydrophobicContact CD1-CB 4.23Å; Y183-V221 HydrophobicContact CD1-CG2 3.22Å; Y183-V221 HydrophobicContact CD2-CG2 3.39Å; Y183-V221 HydrophobicContact CE1-CB 4.11Å; Y183-V221 HydrophobicContact CE1-CG2 3.4Å; Y183-V221 VanDerWaalsContact CE1-CG2 3.4Å; Y183-V221 HydrophobicContact CE2-CG2 3.6Å; Y183-V221 HydrophobicContact CG-CG2 3.18Å; Y183-Y285 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y285 PolarHBondContact OH-OH 2.84Å | ||
| 184 | H | 85.3 | Confident | 91.9 | Very high | 61 Ų | 61 | 28 Ų | 28 | 28% | 0.282 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -82.9 | 32.6 | -178.3 | 58.1 | 66.1 | 0 | 0 | 0 | 113 | F377 R379 V380 | H184-F377 AromaticContact CE1-CE1 3.21Å; H184-F377 WeakPolarHBondContact CE1-CE1 3.45Å; H184-F377 AromaticContact CE1-CZ 3.34Å; H184-F377 WeakPolarHBondContact CE1-CZ 3.46Å; H184-F377 AromaticContact ND1-CE1 3.41Å; H184-F377 WeakPolarHBondContact ND1-CE1 3.4Å; H184-F377 AromaticContact ND1-CZ 3.23Å; H184-F377 WeakPolarHBondContact ND1-CZ 3.4Å; H184-R379 PolarHBondContact ND1-NH1 3.5Å; H184-V380 PolarHBondContact O-N 3.18Å |
| 185 | G | 90.5 | Very high | 92 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -166.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y183 V378 F383 | Y183-G185 PolarHBondContact O-N 3.06Å; G185-V378 VanDerWaalsContact CA-O 3.27Å; G185-V378 WeakPolarHBondContact CA-O 3.45Å; G185-F383 VanDerWaalsContact CA-CE2 3.48Å; G185-F383 WeakPolarHBondContact O-CE2 3.37Å |
| 186 | C | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.9 | 176.5 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | I217 R218 L242 V378 F383 | C186-I217 CarbonylContact C-O 3.47Å; C186-I217 VanDerWaalsContact CA-O 3.25Å; C186-I217 WeakPolarHBondContact CA-O 2.97Å; C186-I217 VanDerWaalsContact CB-O 3.27Å; C186-I217 WeakPolarHBondContact CB-O 3.28Å; C186-R218 HydrophobicContact CB-CB 4.3Å; C186-L242 HydrophobicContact CB-CD1 4.11Å; C186-V378 PolarHBondContact N-O 3.5Å; C186-V378 PolarHBondContact O-N 3.31Å; C186-F383 HydrophobicContact CB-CE2 4.34Å; C186-F383 HydrophobicContact CB-CZ 4.3Å |
| 187 | Y | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.5 | 171.9 | -63.1 | -97.5 | 0 | 0 | 0 | 109.1 | L182 G216 I217 F219 H340 L343 R376 F377 | L182-Y187 HydrophobicContact CB-CE2 4.5Å; L182-Y187 PolarHBondContact N-OH 3.36Å; Y187-G216 CarbonylContact O-C 3.57Å; Y187-G216 VanDerWaalsContact O-CA 3.28Å; Y187-G216 WeakPolarHBondContact O-CA 3.48Å; Y187-I217 PolarHBondContact N-O 2.94Å; Y187-I217 PolarHBondContact O-N 3.35Å; Y187-F219 HydrophobicContact CD2-CD2 4.1Å; Y187-F219 AromaticContact CD2-CE2 3.87Å; Y187-F219 HydrophobicContact CD2-CE2 3.87Å; Y187-F219 AromaticContact CE2-CD2 3.96Å; Y187-F219 HydrophobicContact CE2-CD2 3.96Å; Y187-F219 AromaticContact CE2-CE2 3.92Å; Y187-F219 HydrophobicContact CE2-CE2 3.92Å; Y187-H340 PolarHBondContact OH-O 3.05Å; Y187-L343 HydrophobicContact CD1-CB 4.47Å; Y187-L343 HydrophobicContact CD1-CD1 3.82Å; Y187-L343 HydrophobicContact CD1-CG 3.58Å; Y187-L343 HydrophobicContact CD2-CD1 3.67Å; Y187-L343 HydrophobicContact CD2-CG 4.23Å; Y187-L343 HydrophobicContact CE1-CD1 4.25Å; Y187-L343 HydrophobicContact CE1-CD2 4.19Å; Y187-L343 HydrophobicContact CE1-CG 3.73Å; Y187-L343 HydrophobicContact CE2-CD1 4.14Å; Y187-L343 HydrophobicContact CE2-CG 4.39Å; Y187-L343 HydrophobicContact CG-CD1 3.49Å; Y187-L343 VanDerWaalsContact CG-CD1 3.49Å; Y187-L343 HydrophobicContact CG-CG 3.83Å; Y187-R376 CarbonylContact C-O 3.53Å; Y187-R376 VanDerWaalsContact CA-O 3.31Å; Y187-R376 WeakPolarHBondContact CA-O 3.31Å; Y187-F377 HydrophobicContact CD1-CB 3.84Å; Y187-F377 HydrophobicContact CD1-CD2 4.27Å; Y187-F377 HydrophobicContact CD2-CD2 4.07Å; Y187-F377 HydrophobicContact CE1-CB 3.69Å; Y187-F377 HydrophobicContact CE1-CD2 4.04Å; Y187-F377 HydrophobicContact CE1-CG 4.33Å; Y187-F377 AromaticContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CE2 4.44Å; Y187-F377 HydrophobicContact CG-CD2 4.3Å; Y187-F377 AromaticContact CZ-CD2 3.8Å |
| 188 | L | 96.2 | Very high | 91.8 | Very high | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134 | -179.5 | -71 | 168.6 | 0 | 0 | 0 | 109.8 | R215 P235 I238 V239 C375 R376 V378 | L188-R215 CarbonylContact C-O 3.52Å; L188-R215 WeakPolarHBondContact CA-O 3.33Å; L188-P235 HydrophobicContact CD1-CB 4.3Å; L188-I238 HydrophobicContact CD2-CG2 3.89Å; L188-V239 HydrophobicContact CD1-CG2 4.31Å; L188-C375 CarbonylContact O-C 3.47Å; L188-C375 WeakPolarHBondContact O-CA 3.43Å; L188-R376 PolarHBondContact N-O 3Å; L188-R376 PolarHBondContact O-N 3.47Å; L188-V378 HydrophobicContact CB-CG2 4.33Å; L188-V378 HydrophobicContact CD1-CB 3.92Å; L188-V378 HydrophobicContact CD1-CG1 4.31Å; L188-V378 HydrophobicContact CD1-CG2 3.79Å; L188-V378 HydrophobicContact CG-CG2 4.41Å |
| 189 | C | 95.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144 | 163.2 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | Y214 R215 P373 C375 | C189-Y214 CarbonylContact O-C 3.57Å; C189-Y214 VanDerWaalsContact O-CA 3.27Å; C189-Y214 WeakPolarHBondContact O-CA 3.48Å; C189-R215 PolarHBondContact N-O 3.42Å; C189-R215 PolarHBondContact O-N 3.22Å; C189-P373 HydrophobicContact CB-CG 4.26Å; C189-C375 HydrophobicContact CB-CB 4.18Å; C189-C375 VanDerWaalsContact CB-SG 3.58Å; C189-C375 PolarHBondContact SG-SG 2.87Å |
| 190 | R | 95.5 | Very high | 91.1 | Very high | 124 Ų | 124 | 55 Ų | 55 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.1 | 169.2 | 178.1 | -178.8 | 168.4 | 125 | -11.1 | 107.3 | T192 V212 Y214 P373 | R190-T192 PolarHBondContact NE-OG1 2.94Å; R190-V212 HydrophobicContact CG-CG1 4.07Å; R190-V212 VanDerWaalsContact CZ-CG1 3.48Å; R190-Y214 HydrophobicContact CB-CD1 3.77Å; R190-Y214 HydrophobicContact CB-CE1 3.64Å; R190-Y214 HydrophobicContact CG-CD1 4.07Å; R190-Y214 HydrophobicContact CG-CE1 3.63Å; R190-Y214 PolarHBondContact NH1-OH 3.33Å; R190-P373 VanDerWaalsContact O-CG 3.26Å; R190-P373 WeakPolarHBondContact O-CG 3.21Å |
| 191 | V | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.4 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 107.7 | V212 Y213 R215 Q370 P373 | V191-V212 WeakPolarHBondContact O-CA 3.35Å; V191-Y213 HydrophobicContact CB-CD1 4.04Å; V191-Y213 HydrophobicContact CB-CD2 4.12Å; V191-Y213 HydrophobicContact CB-CE1 3.58Å; V191-Y213 HydrophobicContact CB-CE2 3.7Å; V191-Y213 HydrophobicContact CB-CG 4.3Å; V191-Y213 VanDerWaalsContact CB-CZ 3.43Å; V191-Y213 HydrophobicContact CG1-CD1 4.38Å; V191-Y213 HydrophobicContact CG1-CE1 3.53Å; V191-Y213 HydrophobicContact CG1-CE2 4.24Å; V191-Y213 VanDerWaalsContact CG1-CZ 3.48Å; V191-Y213 WeakPolarHBondContact CG1-OH 3.46Å; V191-Y213 HydrophobicContact CG2-CD2 4.22Å; V191-Y213 HydrophobicContact CG2-CE1 4.37Å; V191-Y213 HydrophobicContact CG2-CE2 3.6Å; V191-Y213 PolarHBondContact N-O 2.75Å; V191-Y213 PolarHBondContact O-N 3.47Å; V191-Y213 VanDerWaalsContact O-N 3.1Å; V191-R215 VanDerWaalsContact CG2-NH1 3.35Å; V191-Q370 WeakPolarHBondContact CG1-O 3.42Å; V191-P373 HydrophobicContact CG2-CG 4.19Å |
| 192 | T | 94 | Very high | 90.2 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 121.8 | 178 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | R190 K210 V211 V212 | R190-T192 PolarHBondContact NE-OG1 2.94Å; T192-K210 HydrophobicContact CG2-CD 4.28Å; T192-K210 HydrophobicContact CG2-CG 3.81Å; T192-V211 VanDerWaalsContact CA-O 3.32Å; T192-V211 WeakPolarHBondContact CA-O 3.37Å; T192-V212 HydrophobicContact CG2-CG2 4.03Å |
| 193 | Y | 92.9 | Very high | 89.8 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 28% | 0.275 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.4 | 177.8 | 71.3 | -79.9 | 0 | 0 | 0 | 109.7 | R195 V211 Y213 | Y193-R195 HydrophobicContact CE2-CB 4.24Å; Y193-V211 HydrophobicContact CD1-CB 3.94Å; Y193-V211 HydrophobicContact CD1-CG1 4.25Å; Y193-V211 HydrophobicContact CD2-CB 4.49Å; Y193-V211 HydrophobicContact CE1-CB 3.5Å; Y193-V211 HydrophobicContact CE1-CG1 3.42Å; Y193-V211 VanDerWaalsContact CE1-CG1 3.42Å; Y193-V211 HydrophobicContact CE1-CG2 4.29Å; Y193-V211 HydrophobicContact CE2-CB 4.14Å; Y193-V211 HydrophobicContact CE2-CG2 4.1Å; Y193-V211 HydrophobicContact CG-CB 4.42Å; Y193-V211 PolarHBondContact N-O 3.19Å; Y193-V211 PolarHBondContact O-N 3.23Å; Y193-Y213 HydrophobicContact CD1-CD1 4.44Å; Y193-Y213 AromaticContact CD1-CE1 3.89Å; Y193-Y213 HydrophobicContact CD1-CE1 3.89Å; Y193-Y213 AromaticContact CE1-CD1 3.96Å; Y193-Y213 HydrophobicContact CE1-CD1 3.96Å; Y193-Y213 AromaticContact CE1-CE1 3.54Å; Y193-Y213 HydrophobicContact CE1-CE1 3.54Å |
| 194 | V | 92.9 | Very high | 89.6 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.3 | -178.1 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | V208 F209 | V194-V208 HydrophobicContact CB-CG1 4.48Å; V194-V208 HydrophobicContact CG1-CB 4.5Å; V194-V208 HydrophobicContact CG1-CG1 3.03Å; V194-F209 WeakPolarHBondContact CA-O 3.36Å |
| 195 | R | 90.6 | Very high | 89.7 | Confident | 132 Ų | 132 | 78.4 Ų | 78.4 | 50% | 0.498 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.9 | 170.8 | 75.4 | 175.7 | -174.8 | -162 | 5.7 | 109.6 | Y193 F209 V211 | Y193-R195 HydrophobicContact CE2-CB 4.24Å; R195-F209 HydrophobicContact CG-CB 3.74Å; R195-F209 HydrophobicContact CG-CD2 4.21Å; R195-F209 HydrophobicContact CG-CG 4.46Å; R195-F209 PolarHBondContact N-O 3.08Å; R195-F209 PolarHBondContact O-N 3.33Å; R195-V211 HydrophobicContact CB-CG2 4.18Å; R195-V211 HydrophobicContact CG-CG2 3.64Å |
| 196 | T | 92.2 | Very high | 89.5 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 73% | 0.73 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138 | 168.6 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 197 | G | 87.8 | Confident | 89.3 | Confident | 15 Ų | 15 | 87.4 Ų | 87.4 | 16% | 0.155 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -78 | 168.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | P199 P207 F209 | G197-P199 WeakPolarHBondContact O-CD 3.49Å; G197-P207 PolarHBondContact N-O 3.06Å; G197-F209 VanDerWaalsContact CA-CE2 3.46Å |
| 198 | E | 86.5 | Confident | 89 | Confident | 183 Ų | 183 | 91.5 Ų | 91.5 | 86% | 0.855 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 121.5 | 170.5 | -170.6 | 169.9 | -170.6 | 0 | 0 | 108.8 | ||
| 199 | P | 83.3 | Confident | 88.8 | Confident | 77 Ų | 77 | 95 Ų | 95 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 140.6 | 176.5 | 30 | -33 | 0 | 0 | 0 | 110.1 | G197 | G197-P199 WeakPolarHBondContact O-CD 3.49Š|
| 200 | E | 82.3 | Confident | 88.7 | Confident | 156 Ų | 156 | 101.9 Ų | 101.9 | 73% | 0.729 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 140.4 | 169.9 | -66.5 | 177.6 | 177.7 | 0 | 0 | 110.2 | G202 S203 | E200-G202 PolarHBondContact O-N 2.92Å; E200-G202 VanDerWaalsContact O-N 3.14Å; E200-S203 PolarHBondContact O-N 2.83Å; E200-S203 VanDerWaalsContact O-N 3.07Å |
| 201 | I | 82.2 | Confident | 88.6 | Confident | 183 Ų | 183 | 97.2 Ų | 97.2 | 94% | 0.938 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 120.1 | 177.6 | -89.3 | 157.9 | 0 | 0 | 0 | 109.8 | ||
| 202 | G | 82.1 | Confident | 88.5 | Confident | 89 Ų | 89 | 99 Ų | 99 | 92% | 0.918 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E200 | E200-G202 PolarHBondContact O-N 2.92Å; E200-G202 VanDerWaalsContact O-N 3.14Å |
| 203 | S | 81 | Confident | 88.6 | Confident | 53 Ų | 53 | 98.6 Ų | 98.6 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | trans | -88.7 | 139 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | E200 Y205 | E200-S203 PolarHBondContact O-N 2.83Å; E200-S203 VanDerWaalsContact O-N 3.07Å; S203-Y205 WeakPolarHBondContact OG-CB 3.28Å; S203-Y205 PolarHBondContact OG-N 3.06Å | ||
| 204 | S | 84.5 | Confident | 88.7 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | trans | -77.9 | -12.3 | 168.9 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | K206 | S204-K206 PolarHBondContact O-N 3.29Š| ||
| 205 | Y | 87.6 | Confident | 88.9 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | trans | -72.9 | 124.9 | 178.7 | -179.6 | -110.9 | 0 | 0 | 0 | 110.9 | S203 P207 | S203-Y205 WeakPolarHBondContact OG-CB 3.28Å; S203-Y205 PolarHBondContact OG-N 3.06Å; Y205-P207 HydrophobicContact CD1-CB 4.41Å; Y205-P207 HydrophobicContact CD1-CG 4.47Å; Y205-P207 HydrophobicContact CE1-CB 3.7Å; Y205-P207 HydrophobicContact CE1-CG 4.22Å; Y205-P207 WeakPolarHBondContact O-CD 3.28Å | ||
| 206 | K | 85.3 | Confident | 89.1 | Confident | 171 Ų | 171 | 87.5 Ų | 87.5 | 74% | 0.743 | 47% | 0.471 | S | S | * | . | trans | -109.3 | 96.8 | 175 | -66.1 | -178 | -177.7 | 179.1 | 0 | 108.6 | S204 | S204-K206 PolarHBondContact O-N 3.29Š| ||
| 207 | P | 89.6 | Confident | 89.3 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 12% | 0.117 | 44% | 0.436 | C | S | . | . | trans | -60.9 | 140.8 | 179 | 20.2 | -28.6 | 0 | 0 | 0 | 110.8 | G197 Y205 F209 | G197-P207 PolarHBondContact N-O 3.06Å; Y205-P207 HydrophobicContact CD1-CB 4.41Å; Y205-P207 HydrophobicContact CD1-CG 4.47Å; Y205-P207 HydrophobicContact CE1-CB 3.7Å; Y205-P207 HydrophobicContact CE1-CG 4.22Å; Y205-P207 WeakPolarHBondContact O-CD 3.28Å; P207-F209 HydrophobicContact CB-CE2 4.33Å; P207-F209 HydrophobicContact CB-CZ 4.37Å | ||
| 208 | V | 91.5 | Very high | 89.6 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.3 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | V194 | V194-V208 HydrophobicContact CB-CG1 4.48Å; V194-V208 HydrophobicContact CG1-CB 4.5Å; V194-V208 HydrophobicContact CG1-CG1 3.03Å |
| 209 | F | 92.4 | Very high | 89.8 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.3 | -177.5 | -59.1 | -76.2 | 0 | 0 | 0 | 111 | V194 R195 G197 P207 V211 | V194-F209 WeakPolarHBondContact CA-O 3.36Å; R195-F209 HydrophobicContact CG-CB 3.74Å; R195-F209 HydrophobicContact CG-CD2 4.21Å; R195-F209 HydrophobicContact CG-CG 4.46Å; R195-F209 PolarHBondContact N-O 3.08Å; R195-F209 PolarHBondContact O-N 3.33Å; G197-F209 VanDerWaalsContact CA-CE2 3.46Å; P207-F209 HydrophobicContact CB-CE2 4.33Å; P207-F209 HydrophobicContact CB-CZ 4.37Å; F209-V211 PolarHBondContact O-N 3.13Å |
| 210 | K | 93.7 | Very high | 90 | Very high | 151 Ų | 151 | 69 Ų | 69 | 66% | 0.657 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 108.8 | 167.9 | -173.8 | 176.8 | -176.5 | 174.2 | 0 | 108.9 | T192 V212 | T192-K210 HydrophobicContact CG2-CD 4.28Å; T192-K210 HydrophobicContact CG2-CG 3.81Å; K210-V212 HydrophobicContact CG-CG2 4.29Å |
| 211 | V | 93.2 | Very high | 89.8 | Confident | 27 Ų | 27 | 62 Ų | 62 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.6 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | T192 Y193 R195 F209 Y213 | T192-V211 VanDerWaalsContact CA-O 3.32Å; T192-V211 WeakPolarHBondContact CA-O 3.37Å; Y193-V211 HydrophobicContact CD1-CB 3.94Å; Y193-V211 HydrophobicContact CD1-CG1 4.25Å; Y193-V211 HydrophobicContact CD2-CB 4.49Å; Y193-V211 HydrophobicContact CE1-CB 3.5Å; Y193-V211 HydrophobicContact CE1-CG1 3.42Å; Y193-V211 VanDerWaalsContact CE1-CG1 3.42Å; Y193-V211 HydrophobicContact CE1-CG2 4.29Å; Y193-V211 HydrophobicContact CE2-CB 4.14Å; Y193-V211 HydrophobicContact CE2-CG2 4.1Å; Y193-V211 HydrophobicContact CG-CB 4.42Å; Y193-V211 PolarHBondContact N-O 3.19Å; Y193-V211 PolarHBondContact O-N 3.23Å; R195-V211 HydrophobicContact CB-CG2 4.18Å; R195-V211 HydrophobicContact CG-CG2 3.64Å; F209-V211 PolarHBondContact O-N 3.13Å; V211-Y213 HydrophobicContact CG1-CD1 4.49Å |
| 212 | V | 94.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.2 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | R190 V191 T192 K210 Y214 | R190-V212 HydrophobicContact CG-CG1 4.07Å; R190-V212 VanDerWaalsContact CZ-CG1 3.48Å; V191-V212 WeakPolarHBondContact O-CA 3.35Å; T192-V212 HydrophobicContact CG2-CG2 4.03Å; K210-V212 HydrophobicContact CG-CG2 4.29Å; V212-Y214 HydrophobicContact CG1-CE2 4.08Å |
| 213 | Y | 95.3 | Very high | 89.2 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 167 | 169.4 | 66.7 | -87.4 | 0 | 0 | 0 | 110 | V191 Y193 V211 R215 T230 | V191-Y213 HydrophobicContact CB-CD1 4.04Å; V191-Y213 HydrophobicContact CB-CD2 4.12Å; V191-Y213 HydrophobicContact CB-CE1 3.58Å; V191-Y213 HydrophobicContact CB-CE2 3.7Å; V191-Y213 HydrophobicContact CB-CG 4.3Å; V191-Y213 VanDerWaalsContact CB-CZ 3.43Å; V191-Y213 HydrophobicContact CG1-CD1 4.38Å; V191-Y213 HydrophobicContact CG1-CE1 3.53Å; V191-Y213 HydrophobicContact CG1-CE2 4.24Å; V191-Y213 VanDerWaalsContact CG1-CZ 3.48Å; V191-Y213 WeakPolarHBondContact CG1-OH 3.46Å; V191-Y213 HydrophobicContact CG2-CD2 4.22Å; V191-Y213 HydrophobicContact CG2-CE1 4.37Å; V191-Y213 HydrophobicContact CG2-CE2 3.6Å; V191-Y213 PolarHBondContact N-O 2.75Å; V191-Y213 PolarHBondContact O-N 3.47Å; V191-Y213 VanDerWaalsContact O-N 3.1Å; Y193-Y213 HydrophobicContact CD1-CD1 4.44Å; Y193-Y213 AromaticContact CD1-CE1 3.89Å; Y193-Y213 HydrophobicContact CD1-CE1 3.89Å; Y193-Y213 AromaticContact CE1-CD1 3.96Å; Y193-Y213 HydrophobicContact CE1-CD1 3.96Å; Y193-Y213 AromaticContact CE1-CE1 3.54Å; Y193-Y213 HydrophobicContact CE1-CE1 3.54Å; V211-Y213 HydrophobicContact CG1-CD1 4.49Å; Y213-R215 HydrophobicContact CD2-CG 4.35Å; Y213-R215 HydrophobicContact CE2-CG 4.08Å; Y213-R215 PolarHBondContact OH-NH2 3.33Å; Y213-T230 HydrophobicContact CD2-CG2 3.71Å; Y213-T230 HydrophobicContact CE2-CG2 3.95Å |
| 214 | Y | 95.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.8 | -176.5 | -61.2 | -92.2 | 0 | 0 | 0 | 109.9 | C189 R190 V212 T230 A231 S233 P235 I238 | C189-Y214 CarbonylContact O-C 3.57Å; C189-Y214 VanDerWaalsContact O-CA 3.27Å; C189-Y214 WeakPolarHBondContact O-CA 3.48Å; R190-Y214 HydrophobicContact CB-CD1 3.77Å; R190-Y214 HydrophobicContact CB-CE1 3.64Å; R190-Y214 HydrophobicContact CG-CD1 4.07Å; R190-Y214 HydrophobicContact CG-CE1 3.63Å; R190-Y214 PolarHBondContact NH1-OH 3.33Å; V212-Y214 HydrophobicContact CG1-CE2 4.08Å; Y214-T230 WeakPolarHBondContact O-CA 3.15Å; Y214-A231 PolarHBondContact N-O 3.41Å; Y214-A231 PolarHBondContact O-N 2.88Å; Y214-S233 WeakPolarHBondContact CD2-O 3.12Å; Y214-P235 HydrophobicContact CD1-CG 3.78Å; Y214-P235 HydrophobicContact CD2-CG 4.4Å; Y214-P235 HydrophobicContact CE1-CG 3.6Å; Y214-P235 HydrophobicContact CE2-CG 4.27Å; Y214-P235 HydrophobicContact CG-CG 4.17Å; Y214-I238 HydrophobicContact CG-CD1 4.44Å |
| 215 | R | 95.5 | Very high | 89.8 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.2 | 168.2 | -45.6 | -169 | -177.8 | 102.9 | -6.6 | 109.3 | L188 C189 V191 Y213 F229 T230 H371 | L188-R215 CarbonylContact C-O 3.52Å; L188-R215 WeakPolarHBondContact CA-O 3.33Å; C189-R215 PolarHBondContact N-O 3.42Å; C189-R215 PolarHBondContact O-N 3.22Å; V191-R215 VanDerWaalsContact CG2-NH1 3.35Å; Y213-R215 HydrophobicContact CD2-CG 4.35Å; Y213-R215 HydrophobicContact CE2-CG 4.08Å; Y213-R215 PolarHBondContact OH-NH2 3.33Å; R215-F229 CarbonylContact C-O 3.54Å; R215-F229 WeakPolarHBondContact CA-O 3.06Å; R215-T230 HydrophobicContact CG-CG2 3.96Å; R215-T230 WeakPolarHBondContact CG-OG1 3.49Å; R215-H371 PolarHBondContact NH1-O 3.43Å; R215-H371 PolarHBondContact NH2-O 2.68Å; R215-H371 VanDerWaalsContact NH2-O 3.11Å |
| 216 | G | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y187 M228 F229 | Y187-G216 CarbonylContact O-C 3.57Å; Y187-G216 VanDerWaalsContact O-CA 3.28Å; Y187-G216 WeakPolarHBondContact O-CA 3.48Å; G216-M228 CarbonylContact O-C 3.5Å; G216-M228 VanDerWaalsContact O-CA 3.27Å; G216-M228 WeakPolarHBondContact O-CA 3.33Å; G216-F229 PolarHBondContact N-O 3.44Å; G216-F229 PolarHBondContact O-N 3.03Å |
| 217 | I | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.8 | -179.6 | -54.6 | 171.8 | 0 | 0 | 0 | 108.6 | C186 Y187 F219 I226 S227 M228 F330 L343 | C186-I217 CarbonylContact C-O 3.47Å; C186-I217 VanDerWaalsContact CA-O 3.25Å; C186-I217 WeakPolarHBondContact CA-O 2.97Å; C186-I217 VanDerWaalsContact CB-O 3.27Å; C186-I217 WeakPolarHBondContact CB-O 3.28Å; Y187-I217 PolarHBondContact N-O 2.94Å; Y187-I217 PolarHBondContact O-N 3.35Å; I217-F219 HydrophobicContact CG2-CD2 4.4Å; I217-F219 HydrophobicContact CG2-CE2 3.68Å; I217-F219 HydrophobicContact CG2-CZ 3.92Å; I217-I226 HydrophobicContact CG2-CD1 3.7Å; I217-I226 HydrophobicContact CG2-CG1 4.01Å; I217-S227 CarbonylContact C-O 3.59Å; I217-S227 WeakPolarHBondContact CA-O 3.44Å; I217-M228 HydrophobicContact CD1-CE 3.75Å; I217-M228 HydrophobicContact CG1-CE 3.85Å; I217-M228 HydrophobicContact CG1-CG 4.14Å; I217-F330 HydrophobicContact CD1-CE1 4.04Å; I217-F330 HydrophobicContact CD1-CE2 4.03Å; I217-F330 HydrophobicContact CD1-CZ 3.47Å; I217-F330 VanDerWaalsContact CD1-CZ 3.47Å; I217-L343 HydrophobicContact CD1-CD1 4.29Å |
| 218 | R | 93.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.4 | 177.1 | -177.1 | -177.2 | 175.1 | -153.7 | -6.1 | 110.2 | C186 H220 I226 S227 L242 S243 | C186-R218 HydrophobicContact CB-CB 4.3Å; R218-H220 PolarHBondContact NE-CE1 3.14Å; R218-H220 PolarHBondContact NH1-CE1 3.09Å; R218-H220 VanDerWaalsContact NH1-CE1 3.3Å; R218-I226 WeakPolarHBondContact O-CA 3.25Å; R218-S227 PolarHBondContact N-O 2.92Å; R218-S227 PolarHBondContact O-N 3.03Å; R218-L242 HydrophobicContact CB-CB 4.38Å; R218-L242 HydrophobicContact CB-CD1 4.39Å; R218-L242 HydrophobicContact CB-CD2 4.37Å; R218-L242 VanDerWaalsContact CD-O 3.3Å; R218-L242 WeakPolarHBondContact CD-O 3.4Å; R218-L242 PolarHBondContact NH1-O 3.3Å; R218-S243 PolarHBondContact NH1-O 3.16Å |
| 219 | F | 91.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.3 | 173.8 | -63.5 | -90 | 0 | 0 | 0 | 110.7 | V181 Y183 Y187 I217 I226 Y285 I293 L343 | V181-F219 HydrophobicContact CB-CB 4.34Å; V181-F219 HydrophobicContact CB-CD1 4.24Å; V181-F219 HydrophobicContact CB-CD2 3.89Å; V181-F219 HydrophobicContact CB-CE2 4.29Å; V181-F219 HydrophobicContact CB-CG 3.88Å; V181-F219 HydrophobicContact CG1-CD1 4.1Å; V181-F219 HydrophobicContact CG1-CD2 4.12Å; V181-F219 HydrophobicContact CG1-CE1 4Å; V181-F219 HydrophobicContact CG1-CE2 4.05Å; V181-F219 HydrophobicContact CG1-CG 4.17Å; V181-F219 HydrophobicContact CG1-CZ 3.99Å; V181-F219 HydrophobicContact CG2-CB 3.92Å; V181-F219 HydrophobicContact CG2-CD1 4.04Å; V181-F219 HydrophobicContact CG2-CD2 4.35Å; V181-F219 HydrophobicContact CG2-CG 3.83Å; Y183-F219 HydrophobicContact CD1-CB 3.92Å; Y183-F219 HydrophobicContact CE1-CB 3.94Å; Y187-F219 HydrophobicContact CD2-CD2 4.1Å; Y187-F219 AromaticContact CD2-CE2 3.87Å; Y187-F219 HydrophobicContact CD2-CE2 3.87Å; Y187-F219 AromaticContact CE2-CD2 3.96Å; Y187-F219 HydrophobicContact CE2-CD2 3.96Å; Y187-F219 AromaticContact CE2-CE2 3.92Å; Y187-F219 HydrophobicContact CE2-CE2 3.92Å; I217-F219 HydrophobicContact CG2-CD2 4.4Å; I217-F219 HydrophobicContact CG2-CE2 3.68Å; I217-F219 HydrophobicContact CG2-CZ 3.92Å; F219-I226 HydrophobicContact CD1-CB 4.47Å; F219-I226 HydrophobicContact CD1-CD1 4.31Å; F219-I226 HydrophobicContact CD1-CG1 4.45Å; F219-I226 HydrophobicContact CE1-CD1 3.65Å; F219-I226 HydrophobicContact CE1-CG1 4.26Å; F219-I226 HydrophobicContact CZ-CD1 3.86Å; F219-Y285 HydrophobicContact CB-CE1 4.33Å; F219-Y285 AromaticContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD2 4.07Å; F219-Y285 AromaticContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE2 4.26Å; F219-Y285 AromaticContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CE1-CD1 4.29Å; F219-Y285 HydrophobicContact CE1-CD2 4.32Å; F219-Y285 HydrophobicContact CE1-CG 4.01Å; F219-I293 HydrophobicContact CE1-CD1 3.54Å; F219-I293 HydrophobicContact CE2-CD1 4.49Å; F219-I293 HydrophobicContact CZ-CD1 3.46Å; F219-I293 VanDerWaalsContact CZ-CD1 3.46Å; F219-L343 HydrophobicContact CE2-CD1 3.82Å; F219-L343 HydrophobicContact CZ-CD1 4.12Å |
| 220 | H | 87.2 | Confident | 91 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 114.4 | 179.3 | -60.9 | -99.1 | 0 | 0 | 0 | 109.7 | R218 N224 Q225 H246 | R218-H220 PolarHBondContact NE-CE1 3.14Å; R218-H220 PolarHBondContact NH1-CE1 3.09Å; R218-H220 VanDerWaalsContact NH1-CE1 3.3Å; H220-N224 PolarHBondContact O-N 3.27Å; H220-Q225 HydrophobicContact CB-CB 4.31Å; H220-Q225 WeakPolarHBondContact CB-O 3.46Å; H220-Q225 PolarHBondContact CD2-O 3.29Å; H220-Q225 PolarHBondContact N-O 3.07Å; H220-Q225 PolarHBondContact O-N 3.33Å; H220-H246 AromaticContact CE1-CD2 3.44Å; H220-H246 PolarHBondContact CE1-CD2 3.43Å; H220-H246 VanDerWaalsContact CE1-CD2 3.44Å; H220-H246 AromaticContact CE1-CG 3.68Å; H220-H246 AromaticContact CG-CD2 3.59Å; H220-H246 AromaticContact CG-NE2 3.98Å; H220-H246 AromaticContact ND1-CD2 3.22Å; H220-H246 PolarHBondContact ND1-CD2 2.69Å; H220-H246 AromaticContact ND1-CG 3.65Å; H220-H246 AromaticContact ND1-NE2 3.79Å; H220-H246 AromaticContact NE2-CD2 3.93Å |
| 221 | V | 78.2 | Confident | 90.9 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -51.7 | -177.4 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | K141 Y183 S223 | K141-V221 HydrophobicContact CG-CG1 4.03Å; Y183-V221 HydrophobicContact CD1-CB 4.23Å; Y183-V221 HydrophobicContact CD1-CG2 3.22Å; Y183-V221 HydrophobicContact CD2-CG2 3.39Å; Y183-V221 HydrophobicContact CE1-CB 4.11Å; Y183-V221 HydrophobicContact CE1-CG2 3.4Å; Y183-V221 VanDerWaalsContact CE1-CG2 3.4Å; Y183-V221 HydrophobicContact CE2-CG2 3.6Å; Y183-V221 HydrophobicContact CG-CG2 3.18Å; V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.17Å |
| 222 | S | 73.1 | Confident | 90.9 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 34% | 0.336 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33 | -163.7 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | D386 | S222-D386 PolarHBondContact OG-OD2 3.31Š|
| 223 | S | 78.2 | Confident | 90.6 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 27% | 0.266 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 0.3 | -171.6 | 61 | 0 | 0 | 0 | 0 | 113.7 | V221 Q225 H246 | V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.17Å; S223-Q225 WeakPolarHBondContact O-CG 3.39Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-Q225 VanDerWaalsContact O-N 3.17Å; S223-Q225 VanDerWaalsContact OG-CB 3.3Å; S223-Q225 WeakPolarHBondContact OG-CB 3.08Å; S223-Q225 WeakPolarHBondContact OG-CG 3.33Å; S223-Q225 PolarHBondContact OG-OE1 2.58Å; S223-H246 PolarHBondContact OG-NE2 3.4Å; S223-H246 VanDerWaalsContact OG-NE2 3.09Å |
| 224 | N | 86.9 | Confident | 90.2 | Very high | 77 Ų | 77 | 26.8 Ų | 26.8 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 37.3 | -168.4 | -65.7 | -31.1 | 0 | 0 | 0 | 112.7 | H220 T284 Y285 | H220-N224 PolarHBondContact O-N 3.27Å; N224-T284 VanDerWaalsContact O-CA 3.31Å; N224-T284 WeakPolarHBondContact O-CA 3.4Å; N224-Y285 VanDerWaalsContact C-CE1 3.46Å; N224-Y285 PolarHBondContact O-N 3.04Å; N224-Y285 VanDerWaalsContact O-N 3.17Å |
| 225 | Q | 90.6 | Very high | 89.9 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 23% | 0.229 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 154.5 | -177.3 | -72.2 | 176.4 | 2.3 | 0 | 0 | 111.6 | H220 S223 H246 G283 Y285 | H220-Q225 HydrophobicContact CB-CB 4.31Å; H220-Q225 WeakPolarHBondContact CB-O 3.46Å; H220-Q225 PolarHBondContact CD2-O 3.29Å; H220-Q225 PolarHBondContact N-O 3.07Å; H220-Q225 PolarHBondContact O-N 3.33Å; S223-Q225 WeakPolarHBondContact O-CG 3.39Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-Q225 VanDerWaalsContact O-N 3.17Å; S223-Q225 VanDerWaalsContact OG-CB 3.3Å; S223-Q225 WeakPolarHBondContact OG-CB 3.08Å; S223-Q225 WeakPolarHBondContact OG-CG 3.33Å; S223-Q225 PolarHBondContact OG-OE1 2.58Å; Q225-H246 PolarHBondContact OE1-CD2 3.4Å; Q225-H246 PolarHBondContact OE1-NE2 3.42Å; Q225-G283 CarbonylContact C-O 3.6Å; Q225-G283 VanDerWaalsContact CA-O 3.28Å; Q225-G283 WeakPolarHBondContact CA-O 3.28Å; Q225-Y285 WeakPolarHBondContact O-CE1 3.27Å |
| 226 | I | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.3 | 176.4 | 178.8 | 174 | 0 | 0 | 0 | 109.5 | I217 R218 F219 K282 G283 T284 Y285 C295 L297 | I217-I226 HydrophobicContact CG2-CD1 3.7Å; I217-I226 HydrophobicContact CG2-CG1 4.01Å; R218-I226 WeakPolarHBondContact O-CA 3.25Å; F219-I226 HydrophobicContact CD1-CB 4.47Å; F219-I226 HydrophobicContact CD1-CD1 4.31Å; F219-I226 HydrophobicContact CD1-CG1 4.45Å; F219-I226 HydrophobicContact CE1-CD1 3.65Å; F219-I226 HydrophobicContact CE1-CG1 4.26Å; F219-I226 HydrophobicContact CZ-CD1 3.86Å; I226-K282 VanDerWaalsContact O-CA 3.28Å; I226-K282 WeakPolarHBondContact O-CA 3.47Å; I226-G283 PolarHBondContact N-O 2.88Å; I226-G283 PolarHBondContact O-N 2.78Å; I226-T284 WeakPolarHBondContact CG2-O 3.31Å; I226-Y285 HydrophobicContact CB-CD1 4.18Å; I226-C295 HydrophobicContact CD1-CB 3.79Å; I226-C295 WeakPolarHBondContact CD1-SG 3.39Å; I226-C295 HydrophobicContact CG2-CB 4.46Å; I226-L297 HydrophobicContact CB-CD2 4.41Å; I226-L297 HydrophobicContact CG1-CD2 4.3Å; I226-L297 HydrophobicContact CG2-CD2 3.55Å; I226-L297 HydrophobicContact CG2-CG 4.41Å |
| 227 | S | 93.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.1 | 169.2 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | I217 R218 S245 L281 | I217-S227 CarbonylContact C-O 3.59Å; I217-S227 WeakPolarHBondContact CA-O 3.44Å; R218-S227 PolarHBondContact N-O 2.92Å; R218-S227 PolarHBondContact O-N 3.03Å; S227-S245 PolarHBondContact OG-OG 3.44Å; S227-S245 VanDerWaalsContact OG-OG 3.05Å; S227-L281 WeakPolarHBondContact CA-O 3.41Å |
| 228 | M | 95.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.8 | 173 | -179.3 | -177.3 | -68 | 0 | 0 | 109.4 | G216 I217 L281 L297 I328 F330 W345 | G216-M228 CarbonylContact O-C 3.5Å; G216-M228 VanDerWaalsContact O-CA 3.27Å; G216-M228 WeakPolarHBondContact O-CA 3.33Å; I217-M228 HydrophobicContact CD1-CE 3.75Å; I217-M228 HydrophobicContact CG1-CE 3.85Å; I217-M228 HydrophobicContact CG1-CG 4.14Å; M228-L281 HydrophobicContact CB-CB 4.39Å; M228-L281 PolarHBondContact N-O 3.48Å; M228-L281 PolarHBondContact O-N 3.08Å; M228-L297 HydrophobicContact CB-CD1 3.89Å; M228-L297 HydrophobicContact CE-CD1 3.79Å; M228-L297 HydrophobicContact SD-CD1 4.09Å; M228-I328 HydrophobicContact CE-CD1 3.57Å; M228-I328 HydrophobicContact SD-CD1 4.09Å; M228-F330 HydrophobicContact CE-CE2 4.28Å; M228-F330 HydrophobicContact CE-CZ 3.96Å; M228-W345 HydrophobicContact CE-CH2 4.22Å |
| 229 | F | 94.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.2 | 178.8 | -173 | -120.7 | 0 | 0 | 0 | 110.7 | R215 G216 A231 I238 V241 L242 V276 T279 L280 | R215-F229 CarbonylContact C-O 3.54Å; R215-F229 WeakPolarHBondContact CA-O 3.06Å; G216-F229 PolarHBondContact N-O 3.44Å; G216-F229 PolarHBondContact O-N 3.03Å; F229-A231 HydrophobicContact CD1-CB 4.23Å; F229-A231 HydrophobicContact CE1-CB 3.57Å; F229-A231 HydrophobicContact CZ-CB 3.88Å; F229-I238 HydrophobicContact CB-CG2 4.46Å; F229-I238 HydrophobicContact CD1-CB 4.11Å; F229-I238 HydrophobicContact CD1-CG1 3.83Å; F229-I238 HydrophobicContact CD1-CG2 4.04Å; F229-I238 HydrophobicContact CE1-CG1 4.11Å; F229-V241 HydrophobicContact CD1-CB 3.99Å; F229-V241 HydrophobicContact CD1-CG1 4.02Å; F229-V241 HydrophobicContact CD1-CG2 4.32Å; F229-V241 HydrophobicContact CD2-CG1 3.98Å; F229-V241 HydrophobicContact CE1-CB 4.03Å; F229-V241 HydrophobicContact CE1-CG1 4.16Å; F229-V241 HydrophobicContact CE1-CG2 3.84Å; F229-V241 HydrophobicContact CE2-CG1 4.12Å; F229-V241 HydrophobicContact CG-CB 4.39Å; F229-V241 HydrophobicContact CG-CG1 3.93Å; F229-V241 HydrophobicContact CZ-CB 4.46Å; F229-V241 HydrophobicContact CZ-CG1 4.21Å; F229-V241 HydrophobicContact CZ-CG2 4.08Å; F229-L242 HydrophobicContact CB-CD2 3.94Å; F229-L242 HydrophobicContact CB-CG 4.25Å; F229-V276 HydrophobicContact CE1-CG1 3.92Å; F229-V276 HydrophobicContact CZ-CG1 3.98Å; F229-T279 WeakPolarHBondContact CA-O 3.37Å; F229-T279 WeakPolarHBondContact CD2-O 3.19Å; F229-L280 HydrophobicContact CB-CD1 4Å; F229-L280 HydrophobicContact CD2-CB 3.81Å; F229-L280 HydrophobicContact CD2-CD1 4.15Å; F229-L280 HydrophobicContact CE2-CB 4.33Å; F229-L280 HydrophobicContact CG-CD1 4.46Å |
| 230 | T | 93.9 | Very high | 88.5 | Confident | 32 Ų | 32 | 33.2 Ų | 33.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.7 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | Y213 Y214 R215 G278 T279 | Y213-T230 HydrophobicContact CD2-CG2 3.71Å; Y213-T230 HydrophobicContact CE2-CG2 3.95Å; Y214-T230 WeakPolarHBondContact O-CA 3.15Å; R215-T230 HydrophobicContact CG-CG2 3.96Å; R215-T230 WeakPolarHBondContact CG-OG1 3.49Å; T230-G278 CarbonylContact O-C 3.56Å; T230-G278 WeakPolarHBondContact O-CA 3.35Å; T230-T279 PolarHBondContact N-O 3.3Å; T230-T279 PolarHBondContact O-N 2.79Å |
| 231 | A | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 150.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y214 F229 S233 I238 V276 | Y214-A231 PolarHBondContact N-O 3.41Å; Y214-A231 PolarHBondContact O-N 2.88Å; F229-A231 HydrophobicContact CD1-CB 4.23Å; F229-A231 HydrophobicContact CE1-CB 3.57Å; F229-A231 HydrophobicContact CZ-CB 3.88Å; A231-S233 WeakPolarHBondContact CB-OG 3.46Å; A231-S233 PolarHBondContact O-N 3.28Å; A231-I238 HydrophobicContact CB-CD1 4.32Å; A231-I238 HydrophobicContact CB-CG1 4.28Å; A231-V276 HydrophobicContact CB-CG1 4.03Å |
| 232 | P | 92.1 | Very high | 88.9 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -77.4 | 4.2 | 172 | 34.2 | -35.2 | 0 | 0 | 0 | 113.1 | S277 | P232-S277 WeakPolarHBondContact CD-O 3.24Š|
| 233 | S | 87.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -87.9 | 169.2 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | Y214 A231 S237 V276 | Y214-S233 WeakPolarHBondContact CD2-O 3.12Å; A231-S233 WeakPolarHBondContact CB-OG 3.46Å; A231-S233 PolarHBondContact O-N 3.28Å; S233-S237 WeakPolarHBondContact CB-OG 3.45Å; S233-S237 PolarHBondContact OG-OG 2.88Å; S233-V276 WeakPolarHBondContact OG-CG1 3.34Å |
| 234 | N | 88.1 | Confident | 89.4 | Confident | 101 Ų | 101 | 34.8 Ų | 34.8 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | trans | -56.2 | 142.9 | 177.5 | -178.7 | -74.6 | 0 | 0 | 0 | 111.9 | S236 S237 | N234-S236 PolarHBondContact O-N 3.3Å; N234-S236 VanDerWaalsContact OD1-CB 3.25Å; N234-S236 WeakPolarHBondContact OD1-CB 3.44Å; N234-S236 PolarHBondContact OD1-N 2.82Å; N234-S236 PolarHBondContact OD1-OG 3.5Å; N234-S237 WeakPolarHBondContact O-CB 3.45Å; N234-S237 PolarHBondContact O-N 3.01Å; N234-S237 PolarHBondContact O-OG 3.31Å | ||
| 235 | P | 87.9 | Confident | 88.4 | Confident | 34 Ų | 34 | 31.5 Ų | 31.5 | 22% | 0.221 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -49.8 | -34 | 178 | -30.3 | 35.8 | 0 | 0 | 0 | 115.5 | L188 Y214 S237 I238 V239 | L188-P235 HydrophobicContact CD1-CB 4.3Å; Y214-P235 HydrophobicContact CD1-CG 3.78Å; Y214-P235 HydrophobicContact CD2-CG 4.4Å; Y214-P235 HydrophobicContact CE1-CG 3.6Å; Y214-P235 HydrophobicContact CE2-CG 4.27Å; Y214-P235 HydrophobicContact CG-CG 4.17Å; P235-S237 VanDerWaalsContact C-N 3.26Å; P235-S237 PolarHBondContact O-N 2.9Å; P235-I238 WeakPolarHBondContact O-CB 3.25Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.14Å; P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 2.93Å |
| 236 | S | 89 | Confident | 87 | Confident | 84 Ų | 84 | 30.4 Ų | 30.4 | 59% | 0.587 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -61.1 | -36 | 178.3 | -51.8 | 0 | 0 | 0 | 0 | 112.2 | N234 V239 A240 | N234-S236 PolarHBondContact O-N 3.3Å; N234-S236 VanDerWaalsContact OD1-CB 3.25Å; N234-S236 WeakPolarHBondContact OD1-CB 3.44Å; N234-S236 PolarHBondContact OD1-N 2.82Å; N234-S236 PolarHBondContact OD1-OG 3.5Å; S236-V239 PolarHBondContact O-N 3.03Å; S236-A240 PolarHBondContact O-N 2.85Å |
| 237 | S | 88.7 | Confident | 85.2 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.4 | -35.5 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | S233 N234 P235 A240 V241 | S233-S237 WeakPolarHBondContact CB-OG 3.45Å; S233-S237 PolarHBondContact OG-OG 2.88Å; N234-S237 WeakPolarHBondContact O-CB 3.45Å; N234-S237 PolarHBondContact O-N 3.01Å; N234-S237 PolarHBondContact O-OG 3.31Å; P235-S237 VanDerWaalsContact C-N 3.26Å; P235-S237 PolarHBondContact O-N 2.9Å; S237-A240 PolarHBondContact O-N 3.31Å; S237-V241 WeakPolarHBondContact O-CG2 3.45Å; S237-V241 PolarHBondContact O-N 3.17Å |
| 238 | I | 89.5 | Confident | 83 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 174.4 | -65.6 | -173.9 | 0 | 0 | 0 | 110.3 | L188 Y214 F229 A231 P235 A240 V241 L242 | L188-I238 HydrophobicContact CD2-CG2 3.89Å; Y214-I238 HydrophobicContact CG-CD1 4.44Å; F229-I238 HydrophobicContact CB-CG2 4.46Å; F229-I238 HydrophobicContact CD1-CB 4.11Å; F229-I238 HydrophobicContact CD1-CG1 3.83Å; F229-I238 HydrophobicContact CD1-CG2 4.04Å; F229-I238 HydrophobicContact CE1-CG1 4.11Å; A231-I238 HydrophobicContact CB-CD1 4.32Å; A231-I238 HydrophobicContact CB-CG1 4.28Å; P235-I238 WeakPolarHBondContact O-CB 3.25Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.14Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.02Å; I238-V241 PolarHBondContact O-N 3.42Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 2.8Å |
| 239 | V | 88.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | L188 P235 S236 V241 L242 S243 V380 F383 | L188-V239 HydrophobicContact CD1-CG2 4.31Å; P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 2.93Å; S236-V239 PolarHBondContact O-N 3.03Å; V239-V241 PolarHBondContact O-N 3.08Å; V239-L242 PolarHBondContact O-N 2.78Å; V239-S243 WeakPolarHBondContact O-CB 3.24Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 PolarHBondContact O-OG 2.99Å; V239-V380 HydrophobicContact CG1-CB 4.26Å; V239-V380 HydrophobicContact CG1-CG1 3.6Å; V239-V380 HydrophobicContact CG1-CG2 3.59Å; V239-V380 HydrophobicContact CG2-CG2 4.25Å; V239-F383 HydrophobicContact CG1-CZ 4.33Å |
| 240 | A | 87.4 | Confident | 77.5 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -31.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S236 S237 I238 S243 | S236-A240 PolarHBondContact O-N 2.85Å; S237-A240 PolarHBondContact O-N 3.31Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.02Å; A240-S243 PolarHBondContact O-OG 2.92Å |
| 241 | V | 86.8 | Confident | 74.5 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.7 | -45.6 | 172.9 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F229 S237 I238 V239 S243 K244 S245 T274 L280 | F229-V241 HydrophobicContact CD1-CB 3.99Å; F229-V241 HydrophobicContact CD1-CG1 4.02Å; F229-V241 HydrophobicContact CD1-CG2 4.32Å; F229-V241 HydrophobicContact CD2-CG1 3.98Å; F229-V241 HydrophobicContact CE1-CB 4.03Å; F229-V241 HydrophobicContact CE1-CG1 4.16Å; F229-V241 HydrophobicContact CE1-CG2 3.84Å; F229-V241 HydrophobicContact CE2-CG1 4.12Å; F229-V241 HydrophobicContact CG-CB 4.39Å; F229-V241 HydrophobicContact CG-CG1 3.93Å; F229-V241 HydrophobicContact CZ-CB 4.46Å; F229-V241 HydrophobicContact CZ-CG1 4.21Å; F229-V241 HydrophobicContact CZ-CG2 4.08Å; S237-V241 WeakPolarHBondContact O-CG2 3.45Å; S237-V241 PolarHBondContact O-N 3.17Å; I238-V241 PolarHBondContact O-N 3.42Å; V239-V241 PolarHBondContact O-N 3.08Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-K244 PolarHBondContact O-N 3.46Å; V241-S245 PolarHBondContact O-N 3.14Å; V241-S245 VanDerWaalsContact O-N 3.1Å; V241-T274 HydrophobicContact CG2-CG2 3.88Å; V241-L280 HydrophobicContact CG1-CD1 4.44Å |
| 242 | L | 88.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -22.2 | 179.2 | -68.8 | 175.6 | 0 | 0 | 0 | 113.3 | C186 R218 F229 I238 V239 S245 L280 | C186-L242 HydrophobicContact CB-CD1 4.11Å; R218-L242 HydrophobicContact CB-CB 4.38Å; R218-L242 HydrophobicContact CB-CD1 4.39Å; R218-L242 HydrophobicContact CB-CD2 4.37Å; R218-L242 VanDerWaalsContact CD-O 3.3Å; R218-L242 WeakPolarHBondContact CD-O 3.4Å; R218-L242 PolarHBondContact NH1-O 3.3Å; F229-L242 HydrophobicContact CB-CD2 3.94Å; F229-L242 HydrophobicContact CB-CG 4.25Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 2.8Å; V239-L242 PolarHBondContact O-N 2.78Å; L242-S245 PolarHBondContact O-OG 2.6Å; L242-L280 HydrophobicContact CD2-CD1 4.48Å |
| 243 | S | 83.3 | Confident | 68.4 | Low | 35 Ų | 35 | 58.2 Ų | 58.2 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74 | -36.8 | 175.9 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | R218 V239 A240 V241 F383 | R218-S243 PolarHBondContact NH1-O 3.16Å; V239-S243 WeakPolarHBondContact O-CB 3.24Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 PolarHBondContact O-OG 2.99Å; A240-S243 PolarHBondContact O-OG 2.92Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-F383 VanDerWaalsContact CA-CE1 3.44Å |
| 244 | K | 77.7 | Confident | 65.4 | Low | 73 Ų | 73 | 64 Ų | 64 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -86.1 | -21.2 | -178.2 | -64.1 | 172.6 | -173.1 | 167.9 | 0 | 113.6 | V241 H246 Q247 M272 | V241-K244 PolarHBondContact O-N 3.46Å; K244-H246 PolarHBondContact O-N 3.14Å; K244-Q247 PolarHBondContact O-N 3.27Å; K244-M272 HydrophobicContact CD-SD 3.78Å; K244-M272 WeakPolarHBondContact CE-SD 3.33Å; K244-M272 PolarHBondContact NZ-SD 3Å |
| 245 | S | 66.7 | Low | 62.5 | Low | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.7 | -169.3 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | S227 V241 L242 K282 | S227-S245 PolarHBondContact OG-OG 3.44Å; S227-S245 VanDerWaalsContact OG-OG 3.05Å; V241-S245 PolarHBondContact O-N 3.14Å; V241-S245 VanDerWaalsContact O-N 3.1Å; L242-S245 PolarHBondContact O-OG 2.6Å; S245-K282 VanDerWaalsContact O-CE 3.27Å; S245-K282 WeakPolarHBondContact O-CE 3.06Å; S245-K282 PolarHBondContact O-NZ 2.82Å |
| 246 | H | 60.6 | Low | 59.6 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.125 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -22.2 | -176.8 | -159.1 | -89.9 | 0 | 0 | 0 | 114.2 | H220 S223 Q225 K244 S248 L249 D386 | H220-H246 AromaticContact CE1-CD2 3.44Å; H220-H246 PolarHBondContact CE1-CD2 3.43Å; H220-H246 VanDerWaalsContact CE1-CD2 3.44Å; H220-H246 AromaticContact CE1-CG 3.68Å; H220-H246 AromaticContact CG-CD2 3.59Å; H220-H246 AromaticContact CG-NE2 3.98Å; H220-H246 AromaticContact ND1-CD2 3.22Å; H220-H246 PolarHBondContact ND1-CD2 2.69Å; H220-H246 AromaticContact ND1-CG 3.65Å; H220-H246 AromaticContact ND1-NE2 3.79Å; H220-H246 AromaticContact NE2-CD2 3.93Å; S223-H246 PolarHBondContact OG-NE2 3.4Å; S223-H246 VanDerWaalsContact OG-NE2 3.09Å; Q225-H246 PolarHBondContact OE1-CD2 3.4Å; Q225-H246 PolarHBondContact OE1-NE2 3.42Å; K244-H246 PolarHBondContact O-N 3.14Å; H246-S248 PolarHBondContact O-N 3.43Å; H246-S248 VanDerWaalsContact O-N 3.1Å; H246-L249 PolarHBondContact O-N 3.01Å; H246-D386 IonicContact CE1-OD1 3.76Å; H246-D386 IonicContact CE1-OD2 3.8Å; H246-D386 IonicContact CG-OD1 2.68Å; H246-D386 IonicContact ND1-OD1 3.22Å; H246-D386 PolarHBondContact ND1-OD1 2.8Å |
| 247 | Q | 55.8 | Low | 56.6 | Low | 112 Ų | 112 | 70.9 Ų | 70.9 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -63.1 | -22.4 | -178.2 | -70 | 179.6 | 1.2 | 0 | 0 | 113.3 | K244 L249 S250 | K244-Q247 PolarHBondContact O-N 3.27Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.25Å; Q247-S250 PolarHBondContact O-OG 2.89Å |
| 248 | S | 46.4 | Very low | 53.6 | Low | 71 Ų | 71 | 76.6 Ų | 76.6 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -78.7 | -3.1 | -175.1 | 77 | 0 | 0 | 0 | 0 | 115.2 | H246 K282 | H246-S248 PolarHBondContact O-N 3.43Å; H246-S248 VanDerWaalsContact O-N 3.1Å; S248-K282 PolarHBondContact OG-NZ 3.22Å |
| 249 | L | 42.6 | Very low | 50.4 | Low | 93 Ų | 93 | 80 Ų | 80 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -95.1 | -19 | 177.3 | -84.1 | 91.3 | 0 | 0 | 0 | 113.4 | H246 Q247 S251 | H246-L249 PolarHBondContact O-N 3.01Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.25Å; L249-S251 PolarHBondContact O-N 2.67Å |
| 250 | S | 32 | Very low | 47.4 | Very low | 79 Ų | 79 | 86.1 Ų | 86.1 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.1 | -176.3 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | Q247 | Q247-S250 PolarHBondContact O-OG 2.89Š|
| 251 | S | 31.1 | Very low | 44.6 | Very low | 99 Ų | 99 | 91.6 Ų | 91.6 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 18.5 | 178.6 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | L249 | L249-S251 PolarHBondContact O-N 2.67Š|
| 252 | S | 29.4 | Very low | 41.8 | Very low | 98 Ų | 98 | 97.8 Ų | 97.8 | 69% | 0.685 | 58% | 0.575 | S | S | * | * | trans | -110.9 | 18.4 | 172.1 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | D254 | S252-D254 PolarHBondContact O-N 2.83Š| ||
| 253 | M | 28.2 | Very low | 38.9 | Very low | 174 Ų | 174 | 104.3 Ų | 104.3 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -78.3 | 105.7 | 159.1 | -77 | 176.7 | 179.1 | 0 | 0 | 107.4 | V255 | M253-V255 PolarHBondContact O-N 3.14Š|
| 254 | D | 24.1 | Very low | 36.2 | Very low | 151 Ų | 151 | 110.2 Ų | 110.2 | 81% | 0.807 | 64% | 0.639 | S | S | * | * | trans | -46.8 | 109.7 | 172.5 | -72.5 | -47.7 | 0 | 0 | 0 | 111.1 | S252 | S252-D254 PolarHBondContact O-N 2.83Š| ||
| 255 | V | 27.2 | Very low | 33.7 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -122.2 | 74.8 | 152 | -176.7 | 0 | 0 | 0 | 0 | 106.7 | M253 L257 | M253-V255 PolarHBondContact O-N 3.14Å; V255-L257 HydrophobicContact CG1-CB 3.98Å; V255-L257 PolarHBondContact O-N 2.91Å | ||
| 256 | S | 26.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -70.4 | 67.8 | 155.1 | 47.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 257 | L | 26 | Very low | 30.1 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | -138.2 | 98.8 | 168.2 | -73.4 | 175.3 | 0 | 0 | 0 | 110.8 | V255 | V255-L257 HydrophobicContact CG1-CB 3.98Å; V255-L257 PolarHBondContact O-N 2.91Å | ||
| 258 | V | 26.3 | Very low | 28.7 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | 54.3 | 115.1 | 138.7 | -170 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 259 | G | 23.4 | Very low | 27.9 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 133.9 | 106.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 260 | N | 26 | Very low | 27.1 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -21.5 | 132.3 | 157 | -80.8 | -16.6 | 0 | 0 | 0 | 114.8 | ||||
| 261 | N | 26.8 | Very low | 26.9 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | -151.7 | 108.3 | 132.4 | -98.9 | -23.8 | 0 | 0 | 0 | 110.6 | N263 | N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.14Å | ||
| 262 | N | 28.1 | Very low | 26.9 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -55.9 | 107.8 | 156.8 | -73.6 | -29.2 | 0 | 0 | 0 | 108.1 | ||||
| 263 | N | 27.5 | Very low | 27.1 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -134.6 | 94.1 | 158.6 | -91.1 | -24.9 | 0 | 0 | 0 | 108.6 | N261 N265 | N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.14Å; N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact O-N 3.01Å | ||
| 264 | N | 27.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -59.1 | 95.4 | 156.2 | -68.6 | -29.5 | 0 | 0 | 0 | 107.5 | ||||
| 265 | N | 25.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -162.9 | 118.6 | 157.9 | -98.2 | -21 | 0 | 0 | 0 | 110 | N263 | N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact O-N 3.01Å | ||
| 266 | S | 24.5 | Very low | 30.7 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | trans | 75.2 | 89.6 | 145.4 | -36.9 | 0 | 0 | 0 | 0 | 118 | S268 | S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 PolarHBondContact O-OG 2.92Å | ||
| 267 | N | 25.8 | Very low | 33.2 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 94% | 0.941 | 72% | 0.722 | S | S | * | * | 34.6 | 28.6 | 113.1 | -73.2 | -10.1 | 0 | 0 | 0 | 121.3 | |||||
| 268 | S | 27.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -129.2 | 5.7 | 178.2 | 59.7 | 0 | 0 | 0 | 0 | 116.1 | S266 A270 | S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 PolarHBondContact O-OG 2.92Å; S268-A270 PolarHBondContact O-N 2.87Å | ||
| 269 | E | 28.4 | Very low | 39.1 | Very low | 196 Ų | 196 | 115.9 Ų | 115.9 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -85.8 | 57.7 | 148.4 | -81.9 | -171 | 150.9 | 0 | 0 | 108.9 | V271 | E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.33Å |
| 270 | A | 26 | Very low | 42.4 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | trans | -60.6 | 100.2 | 173 | 0 | 0 | 0 | 0 | 0 | 108.2 | S268 M272 | S268-A270 PolarHBondContact O-N 2.87Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 WeakPolarHBondContact O-CG 3.47Å; A270-M272 PolarHBondContact O-N 2.85Å | ||
| 271 | V | 28.2 | Very low | 45.6 | Very low | 123 Ų | 123 | 108 Ų | 108 | 75% | 0.745 | 63% | 0.625 | S | S | * | * | trans | -2.4 | 84.1 | 139.6 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | E269 K273 | E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.33Å; V271-K273 HydrophobicContact CG1-CG 4.41Å; V271-K273 PolarHBondContact O-N 2.87Å | ||
| 272 | M | 31.5 | Very low | 48.8 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | trans | -79.7 | 82.1 | 176.5 | -85.3 | -167.5 | 174.5 | 0 | 0 | 107.8 | K244 A270 T274 | K244-M272 HydrophobicContact CD-SD 3.78Å; K244-M272 WeakPolarHBondContact CE-SD 3.33Å; K244-M272 PolarHBondContact NZ-SD 3Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 WeakPolarHBondContact O-CG 3.47Å; A270-M272 PolarHBondContact O-N 2.85Å; M272-T274 PolarHBondContact O-N 3.19Å | ||
| 273 | K | 34.2 | Very low | 51.9 | Low | 185 Ų | 185 | 95.8 Ų | 95.8 | 80% | 0.804 | 56% | 0.561 | S | S | * | * | trans | -54.6 | 75.9 | 145.4 | -74.9 | 179.7 | 177.3 | 177.8 | 0 | 107.8 | V271 A275 | V271-K273 HydrophobicContact CG1-CG 4.41Å; V271-K273 PolarHBondContact O-N 2.87Å; K273-A275 PolarHBondContact O-N 3.3Å | ||
| 274 | T | 45 | Very low | 55.1 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 36% | 0.362 | 55% | 0.545 | S | S | . | . | trans | -74.4 | 86.1 | 153.3 | -27.3 | 0 | 0 | 0 | 0 | 103.1 | V241 M272 V276 | V241-T274 HydrophobicContact CG2-CG2 3.88Å; M272-T274 PolarHBondContact O-N 3.19Å; T274-V276 HydrophobicContact CG2-CG2 4.06Å; T274-V276 PolarHBondContact O-N 3.06Å | ||
| 275 | A | 49.7 | Very low | 58.2 | Low | 93 Ų | 93 | 85.2 Ų | 85.2 | 77% | 0.769 | 51% | 0.507 | S | S | * | . | trans | -66 | 26.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K273 S277 | K273-A275 PolarHBondContact O-N 3.3Å; A275-S277 PolarHBondContact O-N 2.85Å | ||
| 276 | V | 60.8 | Low | 61.4 | Low | 34 Ų | 34 | 85.2 Ų | 85.2 | 21% | 0.206 | 50% | 0.502 | C | S | . | . | trans | -98 | 93.5 | -174.2 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | F229 A231 S233 T274 G278 | F229-V276 HydrophobicContact CE1-CG1 3.92Å; F229-V276 HydrophobicContact CZ-CG1 3.98Å; A231-V276 HydrophobicContact CB-CG1 4.03Å; S233-V276 WeakPolarHBondContact OG-CG1 3.34Å; T274-V276 HydrophobicContact CG2-CG2 4.06Å; T274-V276 PolarHBondContact O-N 3.06Å; V276-G278 PolarHBondContact O-N 3.06Å; V276-G278 VanDerWaalsContact O-N 3.14Å | ||
| 277 | S | 79 | Confident | 64.5 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | trans | -59 | 115.5 | 171.5 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | P232 A275 | P232-S277 WeakPolarHBondContact CD-O 3.24Å; A275-S277 PolarHBondContact O-N 2.85Å | ||
| 278 | G | 86 | Confident | 67.5 | Low | 39 Ų | 39 | 83.4 Ų | 83.4 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | trans | -168.8 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T230 V276 | T230-G278 CarbonylContact O-C 3.56Å; T230-G278 WeakPolarHBondContact O-CA 3.35Å; V276-G278 PolarHBondContact O-N 3.06Å; V276-G278 VanDerWaalsContact O-N 3.14Å | ||
| 279 | T | 90.1 | Very high | 70.3 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.9 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 110 | F229 T230 | F229-T279 WeakPolarHBondContact CA-O 3.37Å; F229-T279 WeakPolarHBondContact CD2-O 3.19Å; T230-T279 PolarHBondContact N-O 3.3Å; T230-T279 PolarHBondContact O-N 2.79Å |
| 280 | L | 91.6 | Very high | 73 | Confident | 48 Ų | 48 | 77 Ų | 77 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.5 | 173.8 | -177.3 | 64 | 0 | 0 | 0 | 109.7 | F229 V241 L242 K282 | F229-L280 HydrophobicContact CB-CD1 4Å; F229-L280 HydrophobicContact CD2-CB 3.81Å; F229-L280 HydrophobicContact CD2-CD1 4.15Å; F229-L280 HydrophobicContact CE2-CB 4.33Å; F229-L280 HydrophobicContact CG-CD1 4.46Å; V241-L280 HydrophobicContact CG1-CD1 4.44Å; L242-L280 HydrophobicContact CD2-CD1 4.48Å; L280-K282 HydrophobicContact CG-CG 4.37Å |
| 281 | L | 94 | Very high | 76.1 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.9 | 170.4 | -50.9 | 179.4 | 0 | 0 | 0 | 108.8 | S227 M228 L297 H298 Q299 F326 | S227-L281 WeakPolarHBondContact CA-O 3.41Å; M228-L281 HydrophobicContact CB-CB 4.39Å; M228-L281 PolarHBondContact N-O 3.48Å; M228-L281 PolarHBondContact O-N 3.08Å; L281-L297 HydrophobicContact CB-CB 4.08Å; L281-L297 HydrophobicContact CB-CD1 4.35Å; L281-L297 HydrophobicContact CB-CD2 4.38Å; L281-L297 HydrophobicContact CD1-CB 4.44Å; L281-L297 HydrophobicContact CD1-CD1 4.41Å; L281-H298 WeakPolarHBondContact CA-O 3.27Å; L281-Q299 HydrophobicContact CD2-CB 3.68Å; L281-Q299 HydrophobicContact CD2-CG 4.12Å; L281-F326 HydrophobicContact CD1-CD2 3.91Å; L281-F326 HydrophobicContact CD1-CE2 4.17Å; L281-F326 HydrophobicContact CD1-CG 4.15Å; L281-F326 HydrophobicContact CD2-CD2 4.2Å; L281-F326 HydrophobicContact CD2-CE2 3.82Å; L281-F326 HydrophobicContact CD2-CZ 4.47Å |
| 282 | K | 93 | Very high | 79.3 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.4 | 170 | -49.9 | 172.1 | 173.2 | 177 | 0 | 110.1 | I226 S245 S248 L280 H298 F300 | I226-K282 VanDerWaalsContact O-CA 3.28Å; I226-K282 WeakPolarHBondContact O-CA 3.47Å; S245-K282 VanDerWaalsContact O-CE 3.27Å; S245-K282 WeakPolarHBondContact O-CE 3.06Å; S245-K282 PolarHBondContact O-NZ 2.82Å; S248-K282 PolarHBondContact OG-NZ 3.22Å; L280-K282 HydrophobicContact CG-CG 4.37Å; K282-H298 PolarHBondContact N-O 2.93Å; K282-H298 PolarHBondContact O-N 2.91Å; K282-F300 HydrophobicContact CB-CD2 3.93Å; K282-F300 HydrophobicContact CB-CE2 3.54Å; K282-F300 HydrophobicContact CB-CZ 4.43Å; K282-F300 HydrophobicContact CD-CD2 4.23Å; K282-F300 HydrophobicContact CD-CE2 4.29Å; K282-F300 HydrophobicContact CG-CD2 4.17Å; K282-F300 HydrophobicContact CG-CE2 4.24Å |
| 283 | G | 93.9 | Very high | 82.3 | Confident | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -145.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q225 I226 T296 | Q225-G283 CarbonylContact C-O 3.6Å; Q225-G283 VanDerWaalsContact CA-O 3.28Å; Q225-G283 WeakPolarHBondContact CA-O 3.28Å; I226-G283 PolarHBondContact N-O 2.88Å; I226-G283 PolarHBondContact O-N 2.78Å; G283-T296 CarbonylContact C-O 3.17Å; G283-T296 VanDerWaalsContact CA-O 3.25Å; G283-T296 WeakPolarHBondContact CA-O 3.27Å |
| 284 | T | 94.2 | Very high | 85.3 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 160 | -174.6 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | N224 I226 C295 T296 | N224-T284 VanDerWaalsContact O-CA 3.31Å; N224-T284 WeakPolarHBondContact O-CA 3.4Å; I226-T284 WeakPolarHBondContact CG2-O 3.31Å; T284-C295 WeakPolarHBondContact O-CA 3.31Å; T284-T296 PolarHBondContact N-O 2.84Å; T284-T296 PolarHBondContact O-N 2.97Å |
| 285 | Y | 94 | Very high | 87.8 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.2 | 170.5 | 72.8 | -85.5 | 0 | 0 | 0 | 110 | V181 Y183 F219 N224 Q225 I226 V294 | V181-Y285 HydrophobicContact CG2-CE2 4.35Å; Y183-Y285 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y285 PolarHBondContact OH-OH 2.84Å; F219-Y285 HydrophobicContact CB-CE1 4.33Å; F219-Y285 AromaticContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD2 4.07Å; F219-Y285 AromaticContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE2 4.26Å; F219-Y285 AromaticContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CE1-CD1 4.29Å; F219-Y285 HydrophobicContact CE1-CD2 4.32Å; F219-Y285 HydrophobicContact CE1-CG 4.01Å; N224-Y285 VanDerWaalsContact C-CE1 3.46Å; N224-Y285 PolarHBondContact O-N 3.04Å; N224-Y285 VanDerWaalsContact O-N 3.17Å; Q225-Y285 WeakPolarHBondContact O-CE1 3.27Å; I226-Y285 HydrophobicContact CB-CD1 4.18Å; Y285-V294 CarbonylContact C-O 3.59Å; Y285-V294 VanDerWaalsContact CA-O 3.24Å; Y285-V294 WeakPolarHBondContact CA-O 3.37Å |
| 286 | E | 91.7 | Very high | 90 | Very high | 143 Ų | 143 | 51.7 Ų | 51.7 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | 177.9 | -64.6 | -175.5 | 171.2 | 0 | 0 | 109.9 | I293 V294 | E286-I293 CarbonylContact O-C 3.54Å; E286-I293 WeakPolarHBondContact O-CA 3.4Å; E286-V294 PolarHBondContact N-O 2.78Å; E286-V294 PolarHBondContact O-N 2.83Å |
| 287 | W | 90 | Very high | 91.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125 | 174.5 | -74.3 | 95 | 0 | 0 | 0 | 109.6 | W143 P179 I293 I332 | W143-W287 AromaticContact CD1-CD1 3.97Å; W143-W287 AromaticContact CD1-CE2 3.71Å; W143-W287 AromaticContact CD1-NE1 3.48Å; W143-W287 AromaticContact NE1-CE2 3.38Å; W143-W287 AromaticContact NE1-CZ2 3.31Å; W143-W287 VanDerWaalsContact NE1-CZ2 3.31Å; W143-W287 AromaticContact NE1-NE1 3.56Å; P179-W287 WeakPolarHBondContact O-CH2 3.38Å; W287-I293 HydrophobicContact CD2-CG2 3.77Å; W287-I293 HydrophobicContact CE3-CG2 3.56Å; W287-I293 HydrophobicContact CG-CG2 4.46Å; W287-I293 HydrophobicContact CH2-CG2 4.02Å; W287-I293 HydrophobicContact CZ2-CG2 4.21Å; W287-I293 HydrophobicContact CZ3-CG2 3.7Å; W287-I332 HydrophobicContact CH2-CD1 3.35Å; W287-I332 HydrophobicContact CZ2-CD1 4.4Å; W287-I332 HydrophobicContact CZ3-CD1 3.66Å |
| 288 | Y | 88.7 | Confident | 92.4 | Very high | 159 Ų | 159 | 48.6 Ų | 48.6 | 62% | 0.624 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -40.8 | 174.8 | 178.3 | -90.1 | 0 | 0 | 0 | 111.5 | S292 V294 K329 | Y288-S292 PolarHBondContact N-O 2.82Å; Y288-V294 HydrophobicContact CD2-CG2 3.97Å; Y288-V294 HydrophobicContact CG-CG2 4.06Å; Y288-K329 HydrophobicContact CD1-CD 4.32Å; Y288-K329 HydrophobicContact CG-CD 4.44Å |
| 289 | D | 86.4 | Confident | 92.3 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | -178.5 | 178.2 | -163.8 | 0.4 | 0 | 0 | 0 | 109.5 | D291 S292 | D289-D291 PolarHBondContact O-N 3.16Å; D289-S292 PolarHBondContact N-O 3.35Å; D289-S292 VanDerWaalsContact N-O 3.12Å; D289-S292 PolarHBondContact O-N 3.34Å |
| 290 | H | 85.7 | Confident | 91.3 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 39% | 0.389 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.2 | -177.3 | -67.7 | -58.5 | 0 | 0 | 0 | 114.8 | M166 P179 | M166-H290 WeakPolarHBondContact CE-CE1 3.23Å; P179-H290 WeakPolarHBondContact CB-O 2.82Å |
| 291 | D | 91.2 | Very high | 89.7 | Confident | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 5.9 | -178.8 | 69.4 | 5.6 | 0 | 0 | 0 | 113.5 | P179 D289 K331 I332 | P179-D291 HydrophobicContact CB-CB 4.15Å; P179-D291 HydrophobicContact CG-CB 3.85Å; D289-D291 PolarHBondContact O-N 3.16Å; D291-K331 WeakPolarHBondContact OD2-CE 3.14Å; D291-K331 IonicContact OD2-NZ 3.5Å; D291-K331 PolarHBondContact OD2-NZ 3.31Å; D291-I332 PolarHBondContact O-N 2.8Å |
| 292 | S | 94.7 | Very high | 87.7 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.6 | -168.3 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | Y288 D289 F330 | Y288-S292 PolarHBondContact N-O 2.82Å; D289-S292 PolarHBondContact N-O 3.35Å; D289-S292 VanDerWaalsContact N-O 3.12Å; D289-S292 PolarHBondContact O-N 3.34Å; S292-F330 CarbonylContact C-O 3.51Å; S292-F330 VanDerWaalsContact CA-O 3.29Å; S292-F330 WeakPolarHBondContact CA-O 3.37Å |
| 293 | I | 94.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145 | 179.9 | 61.9 | -178 | 0 | 0 | 0 | 110 | V181 F219 E286 W287 K329 F330 I332 L343 | V181-I293 HydrophobicContact CG1-CD1 3.42Å; V181-I293 VanDerWaalsContact CG1-CD1 3.42Å; V181-I293 HydrophobicContact CG1-CG2 4.44Å; F219-I293 HydrophobicContact CE1-CD1 3.54Å; F219-I293 HydrophobicContact CE2-CD1 4.49Å; F219-I293 HydrophobicContact CZ-CD1 3.46Å; F219-I293 VanDerWaalsContact CZ-CD1 3.46Å; E286-I293 CarbonylContact O-C 3.54Å; E286-I293 WeakPolarHBondContact O-CA 3.4Å; W287-I293 HydrophobicContact CD2-CG2 3.77Å; W287-I293 HydrophobicContact CE3-CG2 3.56Å; W287-I293 HydrophobicContact CG-CG2 4.46Å; W287-I293 HydrophobicContact CH2-CG2 4.02Å; W287-I293 HydrophobicContact CZ2-CG2 4.21Å; W287-I293 HydrophobicContact CZ3-CG2 3.7Å; I293-K329 CarbonylContact O-C 3.47Å; I293-K329 VanDerWaalsContact O-CA 3.31Å; I293-K329 WeakPolarHBondContact O-CA 3.35Å; I293-F330 HydrophobicContact CD1-CB 4.21Å; I293-F330 HydrophobicContact CG1-CB 3.81Å; I293-F330 HydrophobicContact CG1-CD2 4.49Å; I293-F330 PolarHBondContact N-O 3.07Å; I293-F330 PolarHBondContact O-N 3.14Å; I293-I332 HydrophobicContact CG2-CD1 4.27Å; I293-L343 HydrophobicContact CD1-CD2 4.38Å |
| 294 | V | 96.5 | Very high | 83.2 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.3 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 108.5 | Y285 E286 Y288 T327 I328 K329 | Y285-V294 CarbonylContact C-O 3.59Å; Y285-V294 VanDerWaalsContact CA-O 3.24Å; Y285-V294 WeakPolarHBondContact CA-O 3.37Å; E286-V294 PolarHBondContact N-O 2.78Å; E286-V294 PolarHBondContact O-N 2.83Å; Y288-V294 HydrophobicContact CD2-CG2 3.97Å; Y288-V294 HydrophobicContact CG-CG2 4.06Å; V294-T327 HydrophobicContact CG1-CG2 3.87Å; V294-I328 CarbonylContact C-O 3.44Å; V294-K329 HydrophobicContact CG2-CB 4.08Å; V294-K329 HydrophobicContact CG2-CD 4.08Å; V294-K329 HydrophobicContact CG2-CG 3.82Å |
| 295 | C | 97.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.2 | -178.4 | -56 | 0 | 0 | 0 | 0 | 108.6 | I226 T284 T327 I328 | I226-C295 HydrophobicContact CD1-CB 3.79Å; I226-C295 WeakPolarHBondContact CD1-SG 3.39Å; I226-C295 HydrophobicContact CG2-CB 4.46Å; T284-C295 WeakPolarHBondContact O-CA 3.31Å; C295-T327 WeakPolarHBondContact O-CA 3.42Å; C295-I328 HydrophobicContact CB-CB 4.46Å; C295-I328 PolarHBondContact N-O 2.84Å; C295-I328 PolarHBondContact O-N 3.02Å |
| 296 | T | 97.2 | Very high | 77.7 | Confident | 45 Ų | 45 | 87.6 Ų | 87.6 | 28% | 0.276 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.3 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 107.9 | G283 T284 T325 | G283-T296 CarbonylContact C-O 3.17Å; G283-T296 VanDerWaalsContact CA-O 3.25Å; G283-T296 WeakPolarHBondContact CA-O 3.27Å; T284-T296 PolarHBondContact N-O 2.84Å; T284-T296 PolarHBondContact O-N 2.97Å; T296-T325 HydrophobicContact CG2-CG2 3.58Å |
| 297 | L | 96.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.1 | -171.7 | -69.5 | 171.8 | 0 | 0 | 0 | 111 | I226 M228 L281 F326 I328 | I226-L297 HydrophobicContact CB-CD2 4.41Å; I226-L297 HydrophobicContact CG1-CD2 4.3Å; I226-L297 HydrophobicContact CG2-CD2 3.55Å; I226-L297 HydrophobicContact CG2-CG 4.41Å; M228-L297 HydrophobicContact CB-CD1 3.89Å; M228-L297 HydrophobicContact CE-CD1 3.79Å; M228-L297 HydrophobicContact SD-CD1 4.09Å; L281-L297 HydrophobicContact CB-CB 4.08Å; L281-L297 HydrophobicContact CB-CD1 4.35Å; L281-L297 HydrophobicContact CB-CD2 4.38Å; L281-L297 HydrophobicContact CD1-CB 4.44Å; L281-L297 HydrophobicContact CD1-CD1 4.41Å; L297-F326 HydrophobicContact CB-CB 4.17Å; L297-F326 PolarHBondContact N-O 3.19Å; L297-F326 WeakPolarHBondContact O-CD2 3.35Å; L297-F326 PolarHBondContact O-N 3.34Å; L297-I328 HydrophobicContact CD1-CD1 3.86Å |
| 298 | H | 92.9 | Very high | 72.8 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.7 | 175.6 | -53.7 | -78.8 | 0 | 0 | 0 | 110.3 | L281 K282 T325 | L281-H298 WeakPolarHBondContact CA-O 3.27Å; K282-H298 PolarHBondContact N-O 2.93Å; K282-H298 PolarHBondContact O-N 2.91Å; H298-T325 VanDerWaalsContact CE1-CG2 3.45Å; H298-T325 WeakPolarHBondContact CE1-CG2 3.47Å; H298-T325 PolarHBondContact CE1-OG1 2.9Å; H298-T325 PolarHBondContact ND1-OG1 3.12Å |
| 299 | Q | 84.7 | Confident | 70.7 | Confident | 119 Ų | 119 | 86.7 Ų | 86.7 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.1 | 171.5 | -170.7 | 173.8 | 3.4 | 0 | 0 | 109.2 | L281 F326 | L281-Q299 HydrophobicContact CD2-CB 3.68Å; L281-Q299 HydrophobicContact CD2-CG 4.12Å; Q299-F326 HydrophobicContact CB-CE2 4.47Å |
| 300 | F | 68.4 | Low | 68.6 | Low | 120 Ų | 120 | 93.9 Ų | 93.9 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 125 | 172.9 | -74.4 | -96.2 | 0 | 0 | 0 | 108.6 | K282 D302 | K282-F300 HydrophobicContact CB-CD2 3.93Å; K282-F300 HydrophobicContact CB-CE2 3.54Å; K282-F300 HydrophobicContact CB-CZ 4.43Å; K282-F300 HydrophobicContact CD-CD2 4.23Å; K282-F300 HydrophobicContact CD-CE2 4.29Å; K282-F300 HydrophobicContact CG-CD2 4.17Å; K282-F300 HydrophobicContact CG-CE2 4.24Å; F300-D302 PolarHBondContact O-N 2.82Å |
| 301 | P | 57.6 | Low | 66.4 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 129.1 | 170.8 | 24.3 | -30 | 0 | 0 | 0 | 108.4 | K303 | P301-K303 PolarHBondContact O-N 2.78Š|
| 302 | D | 51.5 | Low | 64 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | trans | -59.4 | 100.3 | 173.1 | -179.9 | 6.2 | 0 | 0 | 0 | 108.9 | F300 Q304 N305 | F300-D302 PolarHBondContact O-N 2.82Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 PolarHBondContact OD1-N 2.79Å; D302-N305 PolarHBondContact OD2-ND2 3.03Å | ||
| 303 | K | 48.3 | Very low | 61.6 | Low | 181 Ų | 181 | 119.3 Ų | 119.3 | 79% | 0.787 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -75.8 | -6.5 | -179.9 | -73.8 | -173.6 | 179.6 | 179.7 | 0 | 112.5 | P301 | P301-K303 PolarHBondContact O-N 2.78Š|
| 304 | Q | 44.3 | Very low | 59.1 | Low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -100.5 | -15.1 | -173.6 | -65.7 | -169 | -1 | 0 | 0 | 114.6 | D302 R306 | D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 PolarHBondContact OD1-N 2.79Å; Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.06Å |
| 305 | N | 37.1 | Very low | 56.7 | Low | 131 Ų | 131 | 132.9 Ų | 132.9 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | trans | -89.3 | 20.2 | 171.9 | -90.9 | -41.9 | 0 | 0 | 0 | 114.4 | D302 P307 | D302-N305 PolarHBondContact OD2-ND2 3.03Å; N305-P307 WeakPolarHBondContact O-CD 3.5Å | ||
| 306 | R | 36.7 | Very low | 54.2 | Low | 181 Ų | 181 | 135.8 Ų | 135.8 | 68% | 0.683 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.9 | 109.3 | 159.5 | -72.9 | -170.8 | -178.2 | -168.5 | -0.1 | 106.5 | Q304 S308 | Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.06Å; R306-S308 PolarHBondContact O-N 3.19Å |
| 307 | P | 35.9 | Very low | 51.8 | Low | 96 Ų | 96 | 138.2 Ų | 138.2 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | trans | -51 | 143.8 | 166.1 | 20.6 | -29.1 | 0 | 0 | 0 | 107.3 | N305 I309 | N305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-I309 HydrophobicContact CG-CD1 4.42Å; P307-I309 HydrophobicContact CG-CG1 4.08Å; P307-I309 PolarHBondContact O-N 3.44Å | ||
| 308 | S | 42.9 | Very low | 49.6 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 76 | 168.9 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | R306 R310 | R306-S308 PolarHBondContact O-N 3.19Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.31Å | ||
| 309 | I | 44.4 | Very low | 47.8 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 102.4 | 171.1 | -64.6 | 175.4 | 0 | 0 | 0 | 103.7 | P307 R311 | P307-I309 HydrophobicContact CG-CD1 4.42Å; P307-I309 HydrophobicContact CG-CG1 4.08Å; P307-I309 PolarHBondContact O-N 3.44Å; I309-R311 PolarHBondContact O-N 2.9Å | ||
| 310 | R | 42.5 | Very low | 46.6 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -43.7 | 116.2 | 169.7 | -74.3 | -178.6 | 173.3 | -168.3 | -2 | 106.8 | S308 R312 | S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.31Å; R310-R312 PolarHBondContact O-N 2.86Å | ||
| 311 | R | 38.6 | Very low | 46.8 | Very low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -39.2 | 98 | -174.4 | -69.9 | 175.9 | 173.1 | 165.4 | -3.1 | 111 | I309 | I309-R311 PolarHBondContact O-N 2.9Š| ||
| 312 | R | 41.4 | Very low | 48.1 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -96.1 | 113.5 | 149.2 | -93.5 | -174.4 | 166 | -173.1 | -3.7 | 105.7 | R310 H314 | R310-R312 PolarHBondContact O-N 2.86Å; R312-H314 PolarHBondContact O-N 2.97Å | ||
| 313 | Q | 43.6 | Very low | 49.8 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -61.2 | 98.1 | 176.2 | -64.3 | 166 | -17.4 | 0 | 0 | 108.7 | ||||
| 314 | H | 42.6 | Very low | 51.9 | Low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.787 | 68% | 0.676 | S | S | * | * | trans | -171.1 | 132.6 | 152.1 | -132.7 | -103 | 0 | 0 | 0 | 110.6 | R312 | R312-H314 PolarHBondContact O-N 2.97Š| ||
| 315 | L | 46.5 | Very low | 54.3 | Low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | 69.5 | 108.7 | -180 | -61.8 | 110.1 | 0 | 0 | 0 | 116.1 | ||||
| 316 | G | 44.9 | Very low | 57.2 | Low | 61 Ų | 61 | 123 Ų | 123 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | trans | -55.8 | 161.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V318 | G316-V318 PolarHBondContact O-N 3.47Š| ||
| 317 | P | 47 | Very low | 60.1 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | trans | -60 | 113 | -176 | 24.9 | -32.1 | 0 | 0 | 0 | 109.6 | I319 | P317-I319 PolarHBondContact O-N 3.25Š| ||
| 318 | V | 49.3 | Very low | 63 | Low | 119 Ų | 119 | 111.2 Ų | 111.2 | 72% | 0.721 | 57% | 0.565 | S | S | * | * | trans | -55.4 | 107.3 | 166.6 | 179.9 | 0 | 0 | 0 | 0 | 106.4 | G316 | G316-V318 PolarHBondContact O-N 3.47Š| ||
| 319 | I | 55.4 | Low | 65.6 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | trans | -60.4 | 133.5 | 174.9 | -62.5 | 169.5 | 0 | 0 | 0 | 106.5 | P317 Q321 | P317-I319 PolarHBondContact O-N 3.25Å; I319-Q321 PolarHBondContact O-N 3.15Å; I319-Q321 VanDerWaalsContact O-N 3.07Å | ||
| 320 | P | 60.2 | Low | 68.2 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | trans | -55.4 | 119.4 | 171.9 | -19.9 | 29.9 | 0 | 0 | 0 | 109.2 | L322 | P320-L322 VanDerWaalsContact C-N 3.26Å; P320-L322 PolarHBondContact O-N 2.84Å | ||
| 321 | Q | 72.1 | Confident | 70.8 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -72.6 | -22.5 | -178 | -63.9 | -65.3 | -7.7 | 0 | 0 | 112 | I319 K355 | I319-Q321 PolarHBondContact O-N 3.15Å; I319-Q321 VanDerWaalsContact O-N 3.07Å; Q321-K355 WeakPolarHBondContact O-CB 2.86Å; Q321-K355 PolarHBondContact O-N 3.5Å |
| 322 | L | 84.1 | Confident | 73.5 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 53% | 0.534 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.2 | 178 | -65.7 | 165.2 | 0 | 0 | 0 | 111 | P320 T352 F353 D354 | P320-L322 VanDerWaalsContact C-N 3.26Å; P320-L322 PolarHBondContact O-N 2.84Å; L322-T352 HydrophobicContact CD2-CG2 4.05Å; L322-F353 WeakPolarHBondContact CA-O 3.04Å; L322-D354 HydrophobicContact CD2-CB 3.69Å |
| 323 | T | 88.3 | Confident | 76 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.9 | 167.8 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | F353 | T323-F353 PolarHBondContact N-O 2.86Å; T323-F353 PolarHBondContact O-N 2.8Å; T323-F353 WeakPolarHBondContact OG1-CB 3.35Å; T323-F353 WeakPolarHBondContact OG1-CD1 3.1Å; T323-F353 PolarHBondContact OG1-O 2.7Å |
| 324 | V | 92.1 | Very high | 78.4 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128 | -179.4 | -175 | 0 | 0 | 0 | 0 | 109.6 | F326 I350 H351 T352 | V324-F326 HydrophobicContact CB-CE2 4.34Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD2 4.35Å; V324-F326 HydrophobicContact CG1-CE1 3.97Å; V324-F326 HydrophobicContact CG1-CE2 3.72Å; V324-F326 HydrophobicContact CG1-CZ 3.51Å; V324-I350 HydrophobicContact CG1-CG2 3.49Å; V324-I350 VanDerWaalsContact CG1-CG2 3.49Å; V324-H351 WeakPolarHBondContact CA-O 3.16Å; V324-T352 HydrophobicContact CG2-CG2 4.29Å |
| 325 | T | 95.1 | Very high | 80.7 | Confident | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.7 | 178 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | T296 H298 I350 H351 | T296-T325 HydrophobicContact CG2-CG2 3.58Å; H298-T325 VanDerWaalsContact CE1-CG2 3.45Å; H298-T325 WeakPolarHBondContact CE1-CG2 3.47Å; H298-T325 PolarHBondContact CE1-OG1 2.9Å; H298-T325 PolarHBondContact ND1-OG1 3.12Å; T325-I350 WeakPolarHBondContact O-CA 3.44Å; T325-H351 PolarHBondContact N-O 3.42Å; T325-H351 PolarHBondContact O-N 2.87Å |
| 326 | F | 97 | Very high | 82.7 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 112.7 | 179.2 | -51.1 | -96.4 | 0 | 0 | 0 | 108.4 | L281 L297 Q299 V324 Y348 I350 | L281-F326 HydrophobicContact CD1-CD2 3.91Å; L281-F326 HydrophobicContact CD1-CE2 4.17Å; L281-F326 HydrophobicContact CD1-CG 4.15Å; L281-F326 HydrophobicContact CD2-CD2 4.2Å; L281-F326 HydrophobicContact CD2-CE2 3.82Å; L281-F326 HydrophobicContact CD2-CZ 4.47Å; L297-F326 HydrophobicContact CB-CB 4.17Å; L297-F326 PolarHBondContact N-O 3.19Å; L297-F326 WeakPolarHBondContact O-CD2 3.35Å; L297-F326 PolarHBondContact O-N 3.34Å; Q299-F326 HydrophobicContact CB-CE2 4.47Å; V324-F326 HydrophobicContact CB-CE2 4.34Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD2 4.35Å; V324-F326 HydrophobicContact CG1-CE1 3.97Å; V324-F326 HydrophobicContact CG1-CE2 3.72Å; V324-F326 HydrophobicContact CG1-CZ 3.51Å; F326-Y348 HydrophobicContact CB-CE1 4.17Å; F326-Y348 AromaticContact CD1-CE1 3.89Å; F326-Y348 HydrophobicContact CD1-CE1 3.89Å; F326-Y348 WeakPolarHBondContact CD1-OH 3.44Å; F326-I350 HydrophobicContact CD1-CD1 4.15Å; F326-I350 HydrophobicContact CD1-CG1 3.88Å; F326-I350 HydrophobicContact CD1-CG2 4.21Å; F326-I350 HydrophobicContact CE1-CD1 4.11Å; F326-I350 HydrophobicContact CE1-CG1 4.28Å; F326-I350 HydrophobicContact CE1-CG2 4.19Å |
| 327 | T | 97.6 | Very high | 84.6 | Confident | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 110.8 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | V294 C295 V349 H351 | V294-T327 HydrophobicContact CG1-CG2 3.87Å; C295-T327 WeakPolarHBondContact O-CA 3.42Å; T327-V349 PolarHBondContact N-O 2.86Å; T327-V349 PolarHBondContact O-N 3.07Å; T327-H351 PolarHBondContact OG1-CD2 2.85Å |
| 328 | I | 97.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.4 | -173.1 | -51.9 | 176.6 | 0 | 0 | 0 | 109.2 | M228 V294 C295 L297 F330 W345 S347 Y348 | M228-I328 HydrophobicContact CE-CD1 3.57Å; M228-I328 HydrophobicContact SD-CD1 4.09Å; V294-I328 CarbonylContact C-O 3.44Å; C295-I328 HydrophobicContact CB-CB 4.46Å; C295-I328 PolarHBondContact N-O 2.84Å; C295-I328 PolarHBondContact O-N 3.02Å; L297-I328 HydrophobicContact CD1-CD1 3.86Å; I328-F330 HydrophobicContact CB-CE2 4.21Å; I328-F330 HydrophobicContact CG2-CD2 4.11Å; I328-F330 HydrophobicContact CG2-CE1 4.05Å; I328-F330 HydrophobicContact CG2-CE2 3.49Å; I328-F330 VanDerWaalsContact CG2-CE2 3.49Å; I328-F330 HydrophobicContact CG2-CZ 3.45Å; I328-F330 VanDerWaalsContact CG2-CZ 3.45Å; I328-W345 HydrophobicContact CD1-CZ3 4.32Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 3.6Å; I328-S347 WeakPolarHBondContact CA-O 3.45Å; I328-Y348 HydrophobicContact CD1-CD2 4.1Å; I328-Y348 HydrophobicContact CD1-CE1 4.13Å; I328-Y348 HydrophobicContact CD1-CE2 3.67Å; I328-Y348 HydrophobicContact CG1-CD1 3.97Å; I328-Y348 HydrophobicContact CG1-CD2 4.11Å; I328-Y348 HydrophobicContact CG1-CE1 3.98Å; I328-Y348 HydrophobicContact CG1-CE2 4.11Å; I328-Y348 HydrophobicContact CG1-CG 4.04Å; I328-Y348 HydrophobicContact CG2-CD2 4.49Å |
| 329 | K | 97.9 | Very high | 88.6 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.2 | 173.9 | -169.1 | 174.2 | 165.4 | -149.7 | 0 | 110.2 | Y288 I293 V294 D346 S347 | Y288-K329 HydrophobicContact CD1-CD 4.32Å; Y288-K329 HydrophobicContact CG-CD 4.44Å; I293-K329 CarbonylContact O-C 3.47Å; I293-K329 VanDerWaalsContact O-CA 3.31Å; I293-K329 WeakPolarHBondContact O-CA 3.35Å; V294-K329 HydrophobicContact CG2-CB 4.08Å; V294-K329 HydrophobicContact CG2-CD 4.08Å; V294-K329 HydrophobicContact CG2-CG 3.82Å; K329-D346 HydrophobicContact CB-CB 4.18Å; K329-D346 HydrophobicContact CD-CB 4.35Å; K329-D346 WeakPolarHBondContact CD-OD2 3.34Å; K329-D346 WeakPolarHBondContact CE-OD2 3.49Å; K329-D346 HydrophobicContact CG-CB 4.03Å; K329-D346 IonicContact NZ-OD2 2.7Å; K329-D346 PolarHBondContact NZ-OD2 3.28Å; K329-D346 PolarHBondContact O-N 2.84Å; K329-S347 WeakPolarHBondContact CB-OG 3.43Å; K329-S347 PolarHBondContact N-O 3.4Å; K329-S347 PolarHBondContact O-N 2.84Å |
| 330 | F | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.1 | 173.4 | -65.6 | -74 | 0 | 0 | 0 | 110.7 | I217 M228 S292 I293 I328 L343 L344 W345 | I217-F330 HydrophobicContact CD1-CE1 4.04Å; I217-F330 HydrophobicContact CD1-CE2 4.03Å; I217-F330 HydrophobicContact CD1-CZ 3.47Å; I217-F330 VanDerWaalsContact CD1-CZ 3.47Å; M228-F330 HydrophobicContact CE-CE2 4.28Å; M228-F330 HydrophobicContact CE-CZ 3.96Å; S292-F330 CarbonylContact C-O 3.51Å; S292-F330 VanDerWaalsContact CA-O 3.29Å; S292-F330 WeakPolarHBondContact CA-O 3.37Å; I293-F330 HydrophobicContact CD1-CB 4.21Å; I293-F330 HydrophobicContact CG1-CB 3.81Å; I293-F330 HydrophobicContact CG1-CD2 4.49Å; I293-F330 PolarHBondContact N-O 3.07Å; I293-F330 PolarHBondContact O-N 3.14Å; I328-F330 HydrophobicContact CB-CE2 4.21Å; I328-F330 HydrophobicContact CG2-CD2 4.11Å; I328-F330 HydrophobicContact CG2-CE1 4.05Å; I328-F330 HydrophobicContact CG2-CE2 3.49Å; I328-F330 VanDerWaalsContact CG2-CE2 3.49Å; I328-F330 HydrophobicContact CG2-CZ 3.45Å; I328-F330 VanDerWaalsContact CG2-CZ 3.45Å; F330-L343 HydrophobicContact CB-CB 4.33Å; F330-L343 HydrophobicContact CB-CD2 4.23Å; F330-L343 HydrophobicContact CD1-CB 3.88Å; F330-L343 HydrophobicContact CE1-CB 4.5Å; F330-L343 HydrophobicContact CG-CB 4.24Å; F330-L343 HydrophobicContact CG-CD1 4.45Å; F330-L344 CarbonylContact C-O 3.59Å; F330-L344 VanDerWaalsContact CA-O 3.25Å; F330-L344 WeakPolarHBondContact CA-O 3.26Å; F330-W345 HydrophobicContact CD1-CD2 4.36Å; F330-W345 HydrophobicContact CD1-CE3 4.45Å; F330-W345 AromaticContact CE1-CD2 3.58Å; F330-W345 HydrophobicContact CE1-CD2 3.58Å; F330-W345 AromaticContact CE1-CE2 3.78Å; F330-W345 AromaticContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CG 4.23Å; F330-W345 AromaticContact CE1-CH2 3.92Å; F330-W345 HydrophobicContact CE1-CH2 3.92Å; F330-W345 AromaticContact CE1-CZ2 3.95Å; F330-W345 HydrophobicContact CE1-CZ2 3.95Å; F330-W345 AromaticContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CZ-CD2 4.38Å; F330-W345 AromaticContact CZ-CE3 3.96Å; F330-W345 HydrophobicContact CZ-CE3 3.96Å; F330-W345 AromaticContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CZ2 4.25Å; F330-W345 AromaticContact CZ-CZ3 3.67Å; F330-W345 HydrophobicContact CZ-CZ3 3.67Å |
| 331 | K | 96.7 | Very high | 92 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.7 | 164.8 | -173.3 | 175.2 | -165.7 | 169 | 0 | 109.7 | D291 L344 | D291-K331 WeakPolarHBondContact OD2-CE 3.14Å; D291-K331 IonicContact OD2-NZ 3.5Å; D291-K331 PolarHBondContact OD2-NZ 3.31Å; K331-L344 HydrophobicContact CB-CB 4.24Å; K331-L344 PolarHBondContact N-O 3.34Å; K331-L344 WeakPolarHBondContact O-CB 3.36Å; K331-L344 PolarHBondContact O-N 2.85Å |
| 332 | I | 96.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.1 | -179.8 | -62.5 | 166.5 | 0 | 0 | 0 | 108.6 | P179 V181 W287 D291 I293 H340 L343 | P179-I332 HydrophobicContact CB-CB 4.19Å; P179-I332 HydrophobicContact CB-CD1 4.26Å; P179-I332 HydrophobicContact CB-CG2 4.15Å; V181-I332 HydrophobicContact CG1-CD1 4.12Å; W287-I332 HydrophobicContact CH2-CD1 3.35Å; W287-I332 HydrophobicContact CZ2-CD1 4.4Å; W287-I332 HydrophobicContact CZ3-CD1 3.66Å; D291-I332 PolarHBondContact O-N 2.8Å; I293-I332 HydrophobicContact CG2-CD1 4.27Å; I332-H340 HydrophobicContact CG2-CB 3.82Å; I332-L343 HydrophobicContact CG1-CD2 4.02Å |
| 333 | G | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 167.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H340 N341 Q342 | G333-H340 CarbonylContact O-C 3.6Å; G333-H340 WeakPolarHBondContact O-CA 3.41Å; G333-N341 PolarHBondContact O-N 2.91Å; G333-Q342 PolarHBondContact N-O 2.84Å; G333-Q342 PolarHBondContact O-N 3.42Å; G333-Q342 VanDerWaalsContact O-N 3.16Å |
| 334 | N | 93.6 | Very high | 94.2 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.9 | 177.3 | -58.5 | -20.7 | 0 | 0 | 0 | 108.9 | C338 L339 H340 | N334-C338 WeakPolarHBondContact CA-O 3.31Å; N334-C338 WeakPolarHBondContact CB-O 3.29Å; N334-L339 WeakPolarHBondContact ND2-CD2 3.47Å; N334-H340 PolarHBondContact OD1-N 2.81Å |
| 335 | K | 90.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133 | 177.4 | 179.8 | 166.2 | -175.6 | 156.7 | 0 | 111 | G337 C338 N341 | K335-G337 VanDerWaalsContact C-N 3.31Å; K335-G337 PolarHBondContact O-N 2.76Å; K335-C338 PolarHBondContact N-O 2.78Å; K335-C338 WeakPolarHBondContact O-CB 3.46Å; K335-C338 PolarHBondContact O-N 2.85Å; K335-N341 PolarHBondContact N-OD1 2.75Å; K335-N341 PolarHBondContact O-ND2 2.91Å |
| 336 | R | 89.2 | Confident | 94.5 | Very high | 220 Ų | 220 | 45.9 Ų | 45.9 | 83% | 0.83 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 43.8 | 179.5 | -64.4 | 176.4 | 176 | 178.9 | -2.8 | 112.4 | C338 | R336-C338 PolarHBondContact O-N 2.88Š|
| 337 | G | 84.3 | Confident | 94.5 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 74% | 0.742 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -4.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K335 | K335-G337 VanDerWaalsContact C-N 3.31Å; K335-G337 PolarHBondContact O-N 2.76Å |
| 338 | C | 88.8 | Confident | 94.5 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 47% | 0.466 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.5 | 174.9 | -64 | 0 | 0 | 0 | 0 | 110.2 | N334 K335 R336 N341 | N334-C338 WeakPolarHBondContact CA-O 3.31Å; N334-C338 WeakPolarHBondContact CB-O 3.29Å; K335-C338 PolarHBondContact N-O 2.78Å; K335-C338 WeakPolarHBondContact O-CB 3.46Å; K335-C338 PolarHBondContact O-N 2.85Å; R336-C338 PolarHBondContact O-N 2.88Å; C338-N341 HydrophobicContact CB-CB 4.21Å; C338-N341 VanDerWaalsContact CB-ND2 3.33Å; C338-N341 WeakPolarHBondContact CB-ND2 3.41Å; C338-N341 PolarHBondContact O-OD1 2.84Å; C338-N341 VanDerWaalsContact O-OD1 3.07Å |
| 339 | L | 91 | Very high | 94.5 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.2 | 179.8 | -70.3 | 174.3 | 0 | 0 | 0 | 111.6 | L49 I176 Y177 N334 N341 | L49-L339 HydrophobicContact CD1-CD2 3.64Å; I176-L339 HydrophobicContact CG2-CD1 3.95Å; I176-L339 WeakPolarHBondContact O-CD1 3.25Å; Y177-L339 HydrophobicContact CD1-CD1 3.81Å; Y177-L339 HydrophobicContact CE1-CD1 4.1Å; N334-L339 WeakPolarHBondContact ND2-CD2 3.47Å; L339-N341 PolarHBondContact O-N 3.47Å |
| 340 | H | 93 | Very high | 94.4 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 16.6 | 165.8 | -33.6 | 139.1 | 0 | 0 | 0 | 115.4 | I176 Y177 R178 Q180 Y187 I332 G333 N334 Q342 | I176-H340 PolarHBondContact O-CE1 2.75Å; Y177-H340 PolarHBondContact O-NE2 3.47Å; R178-H340 PolarHBondContact O-CE1 2.75Å; R178-H340 PolarHBondContact O-NE2 2.95Å; Q180-H340 VanDerWaalsContact O-CB 3.24Å; Q180-H340 WeakPolarHBondContact O-CB 3.49Å; Y187-H340 PolarHBondContact OH-O 3.05Å; I332-H340 HydrophobicContact CG2-CB 3.82Å; G333-H340 CarbonylContact O-C 3.6Å; G333-H340 WeakPolarHBondContact O-CA 3.41Å; N334-H340 PolarHBondContact OD1-N 2.81Å; H340-Q342 PolarHBondContact O-N 3.1Å |
| 341 | N | 94.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 9.5 | -173.4 | 73.6 | -27.6 | 0 | 0 | 0 | 113 | G333 K335 C338 L339 R376 F377 | G333-N341 PolarHBondContact O-N 2.91Å; K335-N341 PolarHBondContact N-OD1 2.75Å; K335-N341 PolarHBondContact O-ND2 2.91Å; C338-N341 HydrophobicContact CB-CB 4.21Å; C338-N341 VanDerWaalsContact CB-ND2 3.33Å; C338-N341 WeakPolarHBondContact CB-ND2 3.41Å; C338-N341 PolarHBondContact O-OD1 2.84Å; C338-N341 VanDerWaalsContact O-OD1 3.07Å; L339-N341 PolarHBondContact O-N 3.47Å; N341-R376 WeakPolarHBondContact O-CA 3.42Å; N341-F377 HydrophobicContact CB-CB 4.05Å; N341-F377 WeakPolarHBondContact O-CB 3.49Å; N341-F377 PolarHBondContact O-N 2.9Å |
| 342 | Q | 95.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.7 | -179.9 | -165.6 | 173.6 | 31.2 | 0 | 0 | 111.4 | G333 H340 L344 P374 C375 | G333-Q342 PolarHBondContact N-O 2.84Å; G333-Q342 PolarHBondContact O-N 3.42Å; G333-Q342 VanDerWaalsContact O-N 3.16Å; H340-Q342 PolarHBondContact O-N 3.1Å; Q342-L344 HydrophobicContact CG-CD2 4.2Å; Q342-P374 HydrophobicContact CG-CB 3.76Å; Q342-C375 CarbonylContact C-O 3.55Å; Q342-C375 VanDerWaalsContact CA-O 3.31Å; Q342-C375 WeakPolarHBondContact CA-O 3.43Å |
| 343 | L | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126 | 165.5 | -59.8 | 173.1 | 0 | 0 | 0 | 108.8 | Y187 I217 F219 I293 F330 I332 P374 C375 | Y187-L343 HydrophobicContact CD1-CB 4.47Å; Y187-L343 HydrophobicContact CD1-CD1 3.82Å; Y187-L343 HydrophobicContact CD1-CG 3.58Å; Y187-L343 HydrophobicContact CD2-CD1 3.67Å; Y187-L343 HydrophobicContact CD2-CG 4.23Å; Y187-L343 HydrophobicContact CE1-CD1 4.25Å; Y187-L343 HydrophobicContact CE1-CD2 4.19Å; Y187-L343 HydrophobicContact CE1-CG 3.73Å; Y187-L343 HydrophobicContact CE2-CD1 4.14Å; Y187-L343 HydrophobicContact CE2-CG 4.39Å; Y187-L343 HydrophobicContact CG-CD1 3.49Å; Y187-L343 VanDerWaalsContact CG-CD1 3.49Å; Y187-L343 HydrophobicContact CG-CG 3.83Å; I217-L343 HydrophobicContact CD1-CD1 4.29Å; F219-L343 HydrophobicContact CE2-CD1 3.82Å; F219-L343 HydrophobicContact CZ-CD1 4.12Å; I293-L343 HydrophobicContact CD1-CD2 4.38Å; F330-L343 HydrophobicContact CB-CB 4.33Å; F330-L343 HydrophobicContact CB-CD2 4.23Å; F330-L343 HydrophobicContact CD1-CB 3.88Å; F330-L343 HydrophobicContact CE1-CB 4.5Å; F330-L343 HydrophobicContact CG-CB 4.24Å; F330-L343 HydrophobicContact CG-CD1 4.45Å; I332-L343 HydrophobicContact CG1-CD2 4.02Å; L343-P374 CarbonylContact O-C 3.59Å; L343-P374 VanDerWaalsContact O-CA 3.26Å; L343-P374 WeakPolarHBondContact O-CA 3.26Å; L343-C375 HydrophobicContact CB-CB 4.24Å; L343-C375 PolarHBondContact N-O 3.1Å; L343-C375 PolarHBondContact O-N 3.25Å |
| 344 | L | 97 | Very high | 93.6 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135 | 174.3 | -55.8 | 170.5 | 0 | 0 | 0 | 108 | F330 K331 Q342 D346 P374 | F330-L344 CarbonylContact C-O 3.59Å; F330-L344 VanDerWaalsContact CA-O 3.25Å; F330-L344 WeakPolarHBondContact CA-O 3.26Å; K331-L344 HydrophobicContact CB-CB 4.24Å; K331-L344 PolarHBondContact N-O 3.34Å; K331-L344 WeakPolarHBondContact O-CB 3.36Å; K331-L344 PolarHBondContact O-N 2.85Å; Q342-L344 HydrophobicContact CG-CD2 4.2Å; L344-D346 PolarHBondContact O-N 3.04Å; L344-P374 HydrophobicContact CD2-CB 3.84Å; L344-P374 HydrophobicContact CD2-CG 3.66Å |
| 345 | W | 97.4 | Very high | 93 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.7 | 176.1 | -59 | 84.2 | 0 | 0 | 0 | 108.9 | M228 I328 F330 Y348 L367 F372 P373 | M228-W345 HydrophobicContact CE-CH2 4.22Å; I328-W345 HydrophobicContact CD1-CZ3 4.32Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 3.6Å; F330-W345 HydrophobicContact CD1-CD2 4.36Å; F330-W345 HydrophobicContact CD1-CE3 4.45Å; F330-W345 AromaticContact CE1-CD2 3.58Å; F330-W345 HydrophobicContact CE1-CD2 3.58Å; F330-W345 AromaticContact CE1-CE2 3.78Å; F330-W345 AromaticContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CG 4.23Å; F330-W345 AromaticContact CE1-CH2 3.92Å; F330-W345 HydrophobicContact CE1-CH2 3.92Å; F330-W345 AromaticContact CE1-CZ2 3.95Å; F330-W345 HydrophobicContact CE1-CZ2 3.95Å; F330-W345 AromaticContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CZ-CD2 4.38Å; F330-W345 AromaticContact CZ-CE3 3.96Å; F330-W345 HydrophobicContact CZ-CE3 3.96Å; F330-W345 AromaticContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CZ2 4.25Å; F330-W345 AromaticContact CZ-CZ3 3.67Å; F330-W345 HydrophobicContact CZ-CZ3 3.67Å; W345-Y348 HydrophobicContact CE3-CD2 4.08Å; W345-Y348 AromaticContact CZ3-CD2 3.62Å; W345-Y348 HydrophobicContact CZ3-CD2 3.62Å; W345-Y348 AromaticContact CZ3-CE2 3.92Å; W345-Y348 HydrophobicContact CZ3-CE2 3.92Å; W345-L367 HydrophobicContact CB-CD1 3.93Å; W345-L367 HydrophobicContact CB-CD2 4.4Å; W345-F372 HydrophobicContact CB-CB 4.35Å; W345-F372 HydrophobicContact CD2-CB 4.07Å; W345-F372 AromaticContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CG 4.44Å; W345-F372 AromaticContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CG-CB 3.84Å; W345-F372 HydrophobicContact CH2-CD1 4.25Å; W345-F372 HydrophobicContact CZ2-CD1 4.27Å; W345-F372 HydrophobicContact CZ3-CD1 4.05Å; W345-F372 HydrophobicContact CZ3-CE1 4.43Å; W345-P373 PolarHBondContact NE1-O 2.89Å |
| 346 | D | 96.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -42.8 | 178.7 | -171 | 65.6 | 0 | 0 | 0 | 111.2 | K329 L344 L367 | K329-D346 HydrophobicContact CB-CB 4.18Å; K329-D346 HydrophobicContact CD-CB 4.35Å; K329-D346 WeakPolarHBondContact CD-OD2 3.34Å; K329-D346 WeakPolarHBondContact CE-OD2 3.49Å; K329-D346 HydrophobicContact CG-CB 4.03Å; K329-D346 IonicContact NZ-OD2 2.7Å; K329-D346 PolarHBondContact NZ-OD2 3.28Å; K329-D346 PolarHBondContact O-N 2.84Å; L344-D346 PolarHBondContact O-N 3.04Å; D346-L367 VanDerWaalsContact C-CD1 3.49Å; D346-L367 WeakPolarHBondContact O-CD1 3.42Å |
| 347 | S | 97 | Very high | 92.3 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.8 | 171 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | I328 K329 | I328-S347 WeakPolarHBondContact CA-O 3.45Å; K329-S347 WeakPolarHBondContact CB-OG 3.43Å; K329-S347 PolarHBondContact N-O 3.4Å; K329-S347 PolarHBondContact O-N 2.84Å |
| 348 | Y | 97.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 9% | 0.094 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 111.5 | 171 | -165.6 | -32.6 | 0 | 0 | 0 | 108.3 | F326 I328 W345 I350 L365 F372 | F326-Y348 HydrophobicContact CB-CE1 4.17Å; F326-Y348 AromaticContact CD1-CE1 3.89Å; F326-Y348 HydrophobicContact CD1-CE1 3.89Å; F326-Y348 WeakPolarHBondContact CD1-OH 3.44Å; I328-Y348 HydrophobicContact CD1-CD2 4.1Å; I328-Y348 HydrophobicContact CD1-CE1 4.13Å; I328-Y348 HydrophobicContact CD1-CE2 3.67Å; I328-Y348 HydrophobicContact CG1-CD1 3.97Å; I328-Y348 HydrophobicContact CG1-CD2 4.11Å; I328-Y348 HydrophobicContact CG1-CE1 3.98Å; I328-Y348 HydrophobicContact CG1-CE2 4.11Å; I328-Y348 HydrophobicContact CG1-CG 4.04Å; I328-Y348 HydrophobicContact CG2-CD2 4.49Å; W345-Y348 HydrophobicContact CE3-CD2 4.08Å; W345-Y348 AromaticContact CZ3-CD2 3.62Å; W345-Y348 HydrophobicContact CZ3-CD2 3.62Å; W345-Y348 AromaticContact CZ3-CE2 3.92Å; W345-Y348 HydrophobicContact CZ3-CE2 3.92Å; Y348-I350 HydrophobicContact CD1-CG1 4.18Å; Y348-I350 HydrophobicContact CE1-CD1 4.25Å; Y348-I350 HydrophobicContact CE1-CG1 3.77Å; Y348-L365 HydrophobicContact CD1-CD1 3.53Å; Y348-L365 HydrophobicContact CD1-CG 4.5Å; Y348-L365 HydrophobicContact CD2-CD1 4.02Å; Y348-L365 HydrophobicContact CE1-CD1 3.72Å; Y348-L365 HydrophobicContact CE2-CD1 4.2Å; Y348-L365 HydrophobicContact CG-CB 4.47Å; Y348-L365 HydrophobicContact CG-CD1 3.69Å; Y348-L365 PolarHBondContact O-N 2.94Å; Y348-F372 HydrophobicContact CD2-CD1 4.33Å; Y348-F372 AromaticContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CZ 4.33Å; Y348-F372 AromaticContact CE2-CE1 3.94Å; Y348-F372 HydrophobicContact CE2-CE1 3.94Å |
| 349 | V | 97.6 | Very high | 91.9 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.2 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | T327 T362 V364 | T327-V349 PolarHBondContact N-O 2.86Å; T327-V349 PolarHBondContact O-N 3.07Å; V349-T362 HydrophobicContact CG1-CG2 3.36Å; V349-V364 HydrophobicContact CG1-CG2 4.41Å; V349-V364 HydrophobicContact CG2-CG2 4.25Å |
| 350 | I | 96.7 | Very high | 92 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.9 | 174.6 | -51 | 175 | 0 | 0 | 0 | 107.8 | V324 T325 F326 Y348 T362 T363 L365 | V324-I350 HydrophobicContact CG1-CG2 3.49Å; V324-I350 VanDerWaalsContact CG1-CG2 3.49Å; T325-I350 WeakPolarHBondContact O-CA 3.44Å; F326-I350 HydrophobicContact CD1-CD1 4.15Å; F326-I350 HydrophobicContact CD1-CG1 3.88Å; F326-I350 HydrophobicContact CD1-CG2 4.21Å; F326-I350 HydrophobicContact CE1-CD1 4.11Å; F326-I350 HydrophobicContact CE1-CG1 4.28Å; F326-I350 HydrophobicContact CE1-CG2 4.19Å; Y348-I350 HydrophobicContact CD1-CG1 4.18Å; Y348-I350 HydrophobicContact CE1-CD1 4.25Å; Y348-I350 HydrophobicContact CE1-CG1 3.77Å; I350-T362 WeakPolarHBondContact O-CA 3.49Å; I350-T363 WeakPolarHBondContact CB-OG1 3.49Å; I350-T363 PolarHBondContact N-O 2.89Å; I350-T363 PolarHBondContact O-N 3.23Å; I350-L365 HydrophobicContact CD1-CD1 3.87Å; I350-L365 HydrophobicContact CD1-CG 4.38Å; I350-L365 HydrophobicContact CG1-CD1 4.28Å |
| 351 | H | 94.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.7 | 171.6 | -57.1 | -76.8 | 0 | 0 | 0 | 108.6 | V324 T325 T327 T362 | V324-H351 WeakPolarHBondContact CA-O 3.16Å; T325-H351 PolarHBondContact N-O 3.42Å; T325-H351 PolarHBondContact O-N 2.87Å; T327-H351 PolarHBondContact OG1-CD2 2.85Å; H351-T362 PolarHBondContact ND1-OG1 2.86Å; H351-T362 VanDerWaalsContact ND1-OG1 3.1Å |
| 352 | T | 93 | Very high | 92 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.7 | 175.4 | -57 | 0 | 0 | 0 | 0 | 108.2 | L322 V324 S361 | L322-T352 HydrophobicContact CD2-CG2 4.05Å; V324-T352 HydrophobicContact CG2-CG2 4.29Å; T352-S361 WeakPolarHBondContact CB-OG 3.49Å; T352-S361 PolarHBondContact N-O 2.8Å; T352-S361 PolarHBondContact O-N 3.38Å |
| 353 | F | 90.8 | Very high | 92 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.5 | 177.2 | 175.5 | -101.1 | 0 | 0 | 0 | 109.5 | L322 T323 K355 E360 | L322-F353 WeakPolarHBondContact CA-O 3.04Å; T323-F353 PolarHBondContact N-O 2.86Å; T323-F353 PolarHBondContact O-N 2.8Å; T323-F353 WeakPolarHBondContact OG1-CB 3.35Å; T323-F353 WeakPolarHBondContact OG1-CD1 3.1Å; T323-F353 PolarHBondContact OG1-O 2.7Å; F353-K355 HydrophobicContact CD1-CG 3.98Å; F353-K355 HydrophobicContact CE1-CB 4.43Å; F353-K355 HydrophobicContact CE1-CG 3.64Å; F353-E360 HydrophobicContact CD2-CG 3.59Å; F353-E360 HydrophobicContact CE2-CG 4.23Å |
| 354 | D | 88.2 | Confident | 91.9 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.4 | 174.4 | 179.5 | 9.3 | 0 | 0 | 0 | 110.3 | L322 S356 S357 A358 G359 | L322-D354 HydrophobicContact CD2-CB 3.69Å; D354-S356 VanDerWaalsContact CG-OG 3.26Å; D354-S356 PolarHBondContact O-N 3.48Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.88Å; D354-S356 PolarHBondContact OD1-OG 3.29Å; D354-S356 PolarHBondContact OD2-OG 2.9Å; D354-S356 VanDerWaalsContact OD2-OG 3.1Å; D354-S357 WeakPolarHBondContact CB-OG 3.47Å; D354-S357 WeakPolarHBondContact OD2-CB 3.4Å; D354-S357 PolarHBondContact OD2-OG 2.78Å; D354-A358 WeakPolarHBondContact O-CA 3.43Å; D354-A358 PolarHBondContact O-N 3.07Å; D354-G359 PolarHBondContact N-O 3.04Å; D354-G359 PolarHBondContact O-N 2.81Å |
| 355 | K | 82.3 | Confident | 91.8 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.8 | 178.2 | -71.6 | 174.5 | 177 | 179 | 0 | 113.2 | Q321 F353 | Q321-K355 WeakPolarHBondContact O-CB 2.86Å; Q321-K355 PolarHBondContact O-N 3.5Å; F353-K355 HydrophobicContact CD1-CG 3.98Å; F353-K355 HydrophobicContact CE1-CB 4.43Å; F353-K355 HydrophobicContact CE1-CG 3.64Å |
| 356 | S | 82.8 | Confident | 91.6 | Very high | 88 Ų | 88 | 71 Ų | 71 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -39.3 | -174.7 | 69.3 | 0 | 0 | 0 | 0 | 113 | D354 | D354-S356 VanDerWaalsContact CG-OG 3.26Å; D354-S356 PolarHBondContact O-N 3.48Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.88Å; D354-S356 PolarHBondContact OD1-OG 3.29Å; D354-S356 PolarHBondContact OD2-OG 2.9Å; D354-S356 VanDerWaalsContact OD2-OG 3.1Å |
| 357 | S | 82.1 | Confident | 91.4 | Very high | 79 Ų | 79 | 70 Ų | 70 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -7.2 | 176.9 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | D354 G359 | D354-S357 WeakPolarHBondContact CB-OG 3.47Å; D354-S357 WeakPolarHBondContact OD2-CB 3.4Å; D354-S357 PolarHBondContact OD2-OG 2.78Å; S357-G359 PolarHBondContact O-N 3Å; S357-G359 VanDerWaalsContact O-N 3.15Å; S357-G359 PolarHBondContact OG-N 3.11Å |
| 358 | A | 79.5 | Confident | 91.2 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 62% | 0.62 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 22.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113 | D354 | D354-A358 WeakPolarHBondContact O-CA 3.43Å; D354-A358 PolarHBondContact O-N 3.07Å |
| 359 | G | 85.9 | Confident | 90.8 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 32% | 0.32 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D354 S357 | D354-G359 PolarHBondContact N-O 3.04Å; D354-G359 PolarHBondContact O-N 2.81Å; S357-G359 PolarHBondContact O-N 3Å; S357-G359 VanDerWaalsContact O-N 3.15Å; S357-G359 PolarHBondContact OG-N 3.11Å |
| 360 | E | 91 | Very high | 90.5 | Very high | 160 Ų | 160 | 79.3 Ų | 79.3 | 75% | 0.748 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.8 | 170.8 | -77.7 | -179.6 | -165.9 | 0 | 0 | 110.1 | F353 | F353-E360 HydrophobicContact CD2-CG 3.59Å; F353-E360 HydrophobicContact CE2-CG 4.23Å |
| 361 | S | 92.9 | Very high | 90.3 | Very high | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.8 | 170.1 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | T352 | T352-S361 WeakPolarHBondContact CB-OG 3.49Å; T352-S361 PolarHBondContact N-O 2.8Å; T352-S361 PolarHBondContact O-N 3.38Å |
| 362 | T | 95.1 | Very high | 90.4 | Very high | 82 Ų | 82 | 78.6 Ų | 78.6 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.6 | 178.2 | -64.1 | 0 | 0 | 0 | 0 | 108.5 | V349 I350 H351 | V349-T362 HydrophobicContact CG1-CG2 3.36Å; I350-T362 WeakPolarHBondContact O-CA 3.49Å; H351-T362 PolarHBondContact ND1-OG1 2.86Å; H351-T362 VanDerWaalsContact ND1-OG1 3.1Å |
| 363 | T | 96.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 78.2 Ų | 78.2 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.7 | 175.6 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | I350 | I350-T363 WeakPolarHBondContact CB-OG1 3.49Å; I350-T363 PolarHBondContact N-O 2.89Å; I350-T363 PolarHBondContact O-N 3.23Å |
| 364 | V | 95.9 | Very high | 90.8 | Very high | 113 Ų | 113 | 76.7 Ų | 76.7 | 69% | 0.685 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.9 | 175 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | V349 | V349-V364 HydrophobicContact CG1-CG2 4.41Å; V349-V364 HydrophobicContact CG2-CG2 4.25Å |
| 365 | L | 93.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -86 | 138.2 | 179.9 | -72.8 | 168.2 | 0 | 0 | 0 | 111 | Y348 I350 L367 F372 | Y348-L365 HydrophobicContact CD1-CD1 3.53Å; Y348-L365 HydrophobicContact CD1-CG 4.5Å; Y348-L365 HydrophobicContact CD2-CD1 4.02Å; Y348-L365 HydrophobicContact CE1-CD1 3.72Å; Y348-L365 HydrophobicContact CE2-CD1 4.2Å; Y348-L365 HydrophobicContact CG-CB 4.47Å; Y348-L365 HydrophobicContact CG-CD1 3.69Å; Y348-L365 PolarHBondContact O-N 2.94Å; I350-L365 HydrophobicContact CD1-CD1 3.87Å; I350-L365 HydrophobicContact CD1-CG 4.38Å; I350-L365 HydrophobicContact CG1-CD1 4.28Å; L365-L367 PolarHBondContact O-N 3.15Å; L365-F372 HydrophobicContact CD1-CZ 4.27Å |
| 366 | E | 93.7 | Very high | 91.9 | Very high | 159 Ų | 159 | 76.3 Ų | 76.3 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -76 | 122.4 | 172.6 | -169.5 | -176.2 | 167.8 | 0 | 0 | 111 | T368 | E366-T368 HydrophobicContact CG-CG2 4.32Å; E366-T368 PolarHBondContact O-N 2.62Å |
| 367 | L | 93.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | trans | -90.2 | 80 | -174.4 | -59.2 | -176.4 | 0 | 0 | 0 | 111.6 | W345 D346 L365 F372 | W345-L367 HydrophobicContact CB-CD1 3.93Å; W345-L367 HydrophobicContact CB-CD2 4.4Å; D346-L367 VanDerWaalsContact C-CD1 3.49Å; D346-L367 WeakPolarHBondContact O-CD1 3.42Å; L365-L367 PolarHBondContact O-N 3.15Å; L367-F372 HydrophobicContact CD2-CB 4.35Å; L367-F372 HydrophobicContact CD2-CD1 4.18Å; L367-F372 HydrophobicContact CD2-CD2 3.95Å; L367-F372 HydrophobicContact CD2-CE2 4.28Å; L367-F372 HydrophobicContact CD2-CG 3.89Å | ||
| 368 | T | 92 | Very high | 92.9 | Very high | 45 Ų | 45 | 73 Ų | 73 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | trans | -83.3 | 139.9 | 171.8 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | E366 Q370 H371 F372 | E366-T368 HydrophobicContact CG-CG2 4.32Å; E366-T368 PolarHBondContact O-N 2.62Å; T368-Q370 PolarHBondContact O-N 3.24Å; T368-Q370 VanDerWaalsContact O-N 3.08Å; T368-H371 PolarHBondContact O-N 3.1Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 PolarHBondContact OG1-ND1 2.97Å; T368-F372 PolarHBondContact O-N 3.45Å | ||
| 369 | N | 90.1 | Very high | 93.4 | Very high | 132 Ų | 132 | 74.1 Ų | 74.1 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25 | 177.5 | -79.4 | -35.4 | 0 | 0 | 0 | 113.4 | P373 | N369-P373 WeakPolarHBondContact O-CA 3.32Å; N369-P373 WeakPolarHBondContact O-CB 3.44Å |
| 370 | Q | 90.3 | Very high | 93.2 | Very high | 108 Ų | 108 | 73.9 Ų | 73.9 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -44.7 | 175.9 | -172.9 | 179.8 | 19 | 0 | 0 | 112 | V191 T368 | V191-Q370 WeakPolarHBondContact CG1-O 3.42Å; T368-Q370 PolarHBondContact O-N 3.24Å; T368-Q370 VanDerWaalsContact O-N 3.08Å |
| 371 | H | 92.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 77.2 Ų | 77.2 | 29% | 0.292 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -24.8 | -175.8 | -64.7 | 97.2 | 0 | 0 | 0 | 113.2 | R215 T368 | R215-H371 PolarHBondContact NH1-O 3.43Å; R215-H371 PolarHBondContact NH2-O 2.68Å; R215-H371 VanDerWaalsContact NH2-O 3.11Å; T368-H371 PolarHBondContact O-N 3.1Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 PolarHBondContact OG1-ND1 2.97Å |
| 372 | F | 95.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 80.7 Ų | 80.7 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -128.7 | 60.2 | -178.5 | -60.3 | -82.7 | 0 | 0 | 0 | 111 | W345 Y348 L365 L367 T368 | W345-F372 HydrophobicContact CB-CB 4.35Å; W345-F372 HydrophobicContact CD2-CB 4.07Å; W345-F372 AromaticContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CG 4.44Å; W345-F372 AromaticContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CG-CB 3.84Å; W345-F372 HydrophobicContact CH2-CD1 4.25Å; W345-F372 HydrophobicContact CZ2-CD1 4.27Å; W345-F372 HydrophobicContact CZ3-CD1 4.05Å; W345-F372 HydrophobicContact CZ3-CE1 4.43Å; Y348-F372 HydrophobicContact CD2-CD1 4.33Å; Y348-F372 AromaticContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CZ 4.33Å; Y348-F372 AromaticContact CE2-CE1 3.94Å; Y348-F372 HydrophobicContact CE2-CE1 3.94Å; L365-F372 HydrophobicContact CD1-CZ 4.27Å; L367-F372 HydrophobicContact CD2-CB 4.35Å; L367-F372 HydrophobicContact CD2-CD1 4.18Å; L367-F372 HydrophobicContact CD2-CD2 3.95Å; L367-F372 HydrophobicContact CD2-CE2 4.28Å; L367-F372 HydrophobicContact CD2-CG 3.89Å; T368-F372 PolarHBondContact O-N 3.45Å |
| 373 | P | 96.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 77.9 Ų | 77.9 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.7 | 174.1 | 27.3 | -31.7 | 0 | 0 | 0 | 110.3 | C189 R190 V191 W345 N369 C375 | C189-P373 HydrophobicContact CB-CG 4.26Å; R190-P373 VanDerWaalsContact O-CG 3.26Å; R190-P373 WeakPolarHBondContact O-CG 3.21Å; V191-P373 HydrophobicContact CG2-CG 4.19Å; W345-P373 PolarHBondContact NE1-O 2.89Å; N369-P373 WeakPolarHBondContact O-CA 3.32Å; N369-P373 WeakPolarHBondContact O-CB 3.44Å; P373-C375 PolarHBondContact O-N 2.94Å |
| 374 | P | 96.6 | Very high | 87.7 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -54 | 135 | 176 | -29.9 | 36.8 | 0 | 0 | 0 | 113.6 | Q342 L343 L344 | Q342-P374 HydrophobicContact CG-CB 3.76Å; L343-P374 CarbonylContact O-C 3.59Å; L343-P374 VanDerWaalsContact O-CA 3.26Å; L343-P374 WeakPolarHBondContact O-CA 3.26Å; L344-P374 HydrophobicContact CD2-CB 3.84Å; L344-P374 HydrophobicContact CD2-CG 3.66Å |
| 375 | C | 97.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.8 | 175 | -53.5 | 0 | 0 | 0 | 0 | 110 | L188 C189 Q342 L343 P373 | L188-C375 CarbonylContact O-C 3.47Å; L188-C375 WeakPolarHBondContact O-CA 3.43Å; C189-C375 HydrophobicContact CB-CB 4.18Å; C189-C375 VanDerWaalsContact CB-SG 3.58Å; C189-C375 PolarHBondContact SG-SG 2.87Å; Q342-C375 CarbonylContact C-O 3.55Å; Q342-C375 VanDerWaalsContact CA-O 3.31Å; Q342-C375 WeakPolarHBondContact CA-O 3.43Å; L343-C375 HydrophobicContact CB-CB 4.24Å; L343-C375 PolarHBondContact N-O 3.1Å; L343-C375 PolarHBondContact O-N 3.25Å; P373-C375 PolarHBondContact O-N 2.94Å |
| 376 | R | 96.2 | Very high | 83.6 | Confident | 129 Ų | 129 | 75.3 Ų | 75.3 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 139.6 | 179.8 | -62.7 | -175.3 | -166.3 | 164.9 | 9.1 | 110.6 | Y187 L188 N341 V378 | Y187-R376 CarbonylContact C-O 3.53Å; Y187-R376 VanDerWaalsContact CA-O 3.31Å; Y187-R376 WeakPolarHBondContact CA-O 3.31Å; L188-R376 PolarHBondContact N-O 3Å; L188-R376 PolarHBondContact O-N 3.47Å; N341-R376 WeakPolarHBondContact O-CA 3.42Å; R376-V378 PolarHBondContact O-N 2.88Å |
| 377 | F | 95.1 | Very high | 81.5 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.2 | 177 | -174.4 | -100 | 0 | 0 | 0 | 111.4 | L182 H184 Y187 N341 R379 | L182-F377 HydrophobicContact CB-CD1 4.49Å; L182-F377 HydrophobicContact CB-CD2 3.57Å; L182-F377 HydrophobicContact CB-CE1 4.27Å; L182-F377 HydrophobicContact CB-CE2 3.26Å; L182-F377 HydrophobicContact CB-CG 4.16Å; L182-F377 HydrophobicContact CB-CZ 3.63Å; L182-F377 HydrophobicContact CD1-CB 4.11Å; L182-F377 HydrophobicContact CD1-CD1 3.63Å; L182-F377 HydrophobicContact CD1-CD2 3.87Å; L182-F377 HydrophobicContact CD1-CE1 3.97Å; L182-F377 HydrophobicContact CD1-CE2 4.17Å; L182-F377 HydrophobicContact CD1-CG 3.56Å; L182-F377 HydrophobicContact CD1-CZ 4.19Å; L182-F377 HydrophobicContact CG-CD2 4.32Å; L182-F377 HydrophobicContact CG-CE2 4.36Å; L182-F377 HydrophobicContact CG-CG 4.49Å; H184-F377 AromaticContact CE1-CE1 3.21Å; H184-F377 WeakPolarHBondContact CE1-CE1 3.45Å; H184-F377 AromaticContact CE1-CZ 3.34Å; H184-F377 WeakPolarHBondContact CE1-CZ 3.46Å; H184-F377 AromaticContact ND1-CE1 3.41Å; H184-F377 WeakPolarHBondContact ND1-CE1 3.4Å; H184-F377 AromaticContact ND1-CZ 3.23Å; H184-F377 WeakPolarHBondContact ND1-CZ 3.4Å; Y187-F377 HydrophobicContact CD1-CB 3.84Å; Y187-F377 HydrophobicContact CD1-CD2 4.27Å; Y187-F377 HydrophobicContact CD2-CD2 4.07Å; Y187-F377 HydrophobicContact CE1-CB 3.69Å; Y187-F377 HydrophobicContact CE1-CD2 4.04Å; Y187-F377 HydrophobicContact CE1-CG 4.33Å; Y187-F377 AromaticContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CE2 4.44Å; Y187-F377 HydrophobicContact CG-CD2 4.3Å; Y187-F377 AromaticContact CZ-CD2 3.8Å; N341-F377 HydrophobicContact CB-CB 4.05Å; N341-F377 WeakPolarHBondContact O-CB 3.49Å; N341-F377 PolarHBondContact O-N 2.9Å; F377-R379 HydrophobicContact CE1-CB 4.17Å |
| 378 | V | 92.1 | Very high | 79.4 | Confident | 63 Ų | 63 | 77 Ų | 77 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | G185 C186 L188 R376 | G185-V378 VanDerWaalsContact CA-O 3.27Å; G185-V378 WeakPolarHBondContact CA-O 3.45Å; C186-V378 PolarHBondContact N-O 3.5Å; C186-V378 PolarHBondContact O-N 3.31Å; L188-V378 HydrophobicContact CB-CG2 4.33Å; L188-V378 HydrophobicContact CD1-CB 3.92Å; L188-V378 HydrophobicContact CD1-CG1 4.31Å; L188-V378 HydrophobicContact CD1-CG2 3.79Å; L188-V378 HydrophobicContact CG-CG2 4.41Å; R376-V378 PolarHBondContact O-N 2.88Å |
| 379 | R | 88.1 | Confident | 77.5 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138.4 | 177.9 | -176.9 | 177.7 | 178.8 | 88.1 | 3.6 | 110.1 | H184 F377 | H184-R379 PolarHBondContact ND1-NH1 3.5Å; F377-R379 HydrophobicContact CE1-CB 4.17Å |
| 380 | V | 83.4 | Confident | 75.8 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | trans | -126.8 | 118.9 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | H184 V239 N382 F383 | H184-V380 PolarHBondContact O-N 3.18Å; V239-V380 HydrophobicContact CG1-CB 4.26Å; V239-V380 HydrophobicContact CG1-CG1 3.6Å; V239-V380 HydrophobicContact CG1-CG2 3.59Å; V239-V380 HydrophobicContact CG2-CG2 4.25Å; V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.93Å; V380-F383 HydrophobicContact CB-CD2 3.6Å; V380-F383 HydrophobicContact CB-CE2 3.39Å; V380-F383 HydrophobicContact CB-CG 4.32Å; V380-F383 HydrophobicContact CB-CZ 3.95Å; V380-F383 HydrophobicContact CG1-CD1 4.4Å; V380-F383 HydrophobicContact CG1-CD2 4.02Å; V380-F383 HydrophobicContact CG1-CE1 4.29Å; V380-F383 HydrophobicContact CG1-CE2 3.91Å; V380-F383 HydrophobicContact CG1-CG 4.25Å; V380-F383 HydrophobicContact CG1-CZ 4.05Å; V380-F383 HydrophobicContact CG2-CD2 4.25Å; V380-F383 HydrophobicContact CG2-CE2 3.51Å; V380-F383 HydrophobicContact CG2-CZ 3.84Å | ||
| 381 | R | 70.9 | Confident | 74.3 | Confident | 231 Ų | 231 | 71.9 Ų | 71.9 | 87% | 0.872 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -31.6 | -174.9 | -60.4 | -176.3 | -159.2 | 175.8 | 5.8 | 112.8 | ||
| 382 | N | 64 | Low | 72.4 | Confident | 135 Ų | 135 | 71 Ų | 71 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 30.1 | -168.2 | -62.5 | -8.1 | 0 | 0 | 0 | 113.7 | V380 I384 | V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.93Å; N382-I384 PolarHBondContact O-N 3.18Å |
| 383 | F | 68.2 | Low | 71.3 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 10% | 0.101 | 39% | 0.387 | C | S | . | . | trans | -70.7 | 105.5 | 162.9 | -77.4 | -45.6 | 0 | 0 | 0 | 107.9 | G185 C186 V239 S243 V380 | G185-F383 VanDerWaalsContact CA-CE2 3.48Å; G185-F383 WeakPolarHBondContact O-CE2 3.37Å; C186-F383 HydrophobicContact CB-CE2 4.34Å; C186-F383 HydrophobicContact CB-CZ 4.3Å; V239-F383 HydrophobicContact CG1-CZ 4.33Å; S243-F383 VanDerWaalsContact CA-CE1 3.44Å; V380-F383 HydrophobicContact CB-CD2 3.6Å; V380-F383 HydrophobicContact CB-CE2 3.39Å; V380-F383 HydrophobicContact CB-CG 4.32Å; V380-F383 HydrophobicContact CB-CZ 3.95Å; V380-F383 HydrophobicContact CG1-CD1 4.4Å; V380-F383 HydrophobicContact CG1-CD2 4.02Å; V380-F383 HydrophobicContact CG1-CE1 4.29Å; V380-F383 HydrophobicContact CG1-CE2 3.91Å; V380-F383 HydrophobicContact CG1-CG 4.25Å; V380-F383 HydrophobicContact CG1-CZ 4.05Å; V380-F383 HydrophobicContact CG2-CD2 4.25Å; V380-F383 HydrophobicContact CG2-CE2 3.51Å; V380-F383 HydrophobicContact CG2-CZ 3.84Å | ||
| 384 | I | 56.1 | Low | 69.9 | Low | 105 Ų | 105 | 75.8 Ų | 75.8 | 54% | 0.538 | 40% | 0.398 | S | S | . | . | trans | -60.3 | 127 | 175 | -60.8 | 169.8 | 0 | 0 | 0 | 106.9 | N382 | N382-I384 PolarHBondContact O-N 3.18Š| ||
| 385 | P | 53.1 | Low | 68.5 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -64.9 | 135.5 | 175.7 | 25.4 | -32.3 | 0 | 0 | 0 | 110.6 | H109 V387 | H109-P385 WeakPolarHBondContact CD2-CA 3.34Å; H109-P385 WeakPolarHBondContact CD2-CB 3.42Å; H109-P385 WeakPolarHBondContact NE2-CA 3.48Å; H109-P385 WeakPolarHBondContact NE2-CB 3.3Å; P385-V387 PolarHBondContact O-N 3.14Å | ||
| 386 | D | 51.5 | Low | 66.8 | Low | 14 Ų | 14 | 82.4 Ų | 82.4 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | trans | -39.3 | 105 | 164.2 | -53.7 | -12 | 0 | 0 | 0 | 109.9 | H109 S222 H246 T388 A389 | H109-D386 VanDerWaalsContact CE1-CG 3.46Å; H109-D386 PolarHBondContact CE1-N 3.07Å; H109-D386 IonicContact CE1-OD1 2.96Å; H109-D386 PolarHBondContact CE1-OD1 2.79Å; H109-D386 IonicContact CE1-OD2 3.49Å; H109-D386 PolarHBondContact NE2-N 3.08Å; H109-D386 IonicContact NE2-OD1 2.61Å; H109-D386 IonicContact NE2-OD2 3.47Å; S222-D386 PolarHBondContact OG-OD2 3.31Å; H246-D386 IonicContact CE1-OD1 3.76Å; H246-D386 IonicContact CE1-OD2 3.8Å; H246-D386 IonicContact CG-OD1 2.68Å; H246-D386 IonicContact ND1-OD1 3.22Å; H246-D386 PolarHBondContact ND1-OD1 2.8Å; D386-T388 PolarHBondContact O-N 3.07Å; D386-T388 VanDerWaalsContact O-N 3.13Å; D386-A389 HydrophobicContact CB-CB 4.21Å; D386-A389 PolarHBondContact O-N 3.49Å | ||
| 387 | V | 48.9 | Very low | 64.9 | Low | 138 Ų | 138 | 79.4 Ų | 79.4 | 84% | 0.836 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.6 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | P385 | P385-V387 PolarHBondContact O-N 3.14Š|
| 388 | T | 47.9 | Very low | 62.9 | Low | 110 Ų | 110 | 82.5 Ų | 82.5 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5 | -174.9 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | D386 | D386-T388 PolarHBondContact O-N 3.07Å; D386-T388 VanDerWaalsContact O-N 3.13Å |
| 389 | A | 52.6 | Low | 60.8 | Low | 22 Ų | 22 | 83.9 Ų | 83.9 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -90.3 | 127.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D386 | D386-A389 HydrophobicContact CB-CB 4.21Å; D386-A389 PolarHBondContact O-N 3.49Å |
| 390 | S | 55.6 | Low | 58.7 | Low | 84 Ų | 84 | 82.7 Ų | 82.7 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 137.3 | 175.6 | 43.1 | 0 | 0 | 0 | 0 | 111.1 | K141 | K141-S390 PolarHBondContact NZ-O 3.2Š|
| 391 | P | 57.2 | Low | 56.7 | Low | 73 Ų | 73 | 87.4 Ų | 87.4 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59 | 161 | 171.7 | 24.4 | -31 | 0 | 0 | 0 | 110.7 | ||
| 392 | L | 54.3 | Low | 55.4 | Low | 44 Ų | 44 | 74.4 Ų | 74.4 | 23% | 0.23 | 44% | 0.443 | C | S | . | . | trans | -52 | 0 | 178.9 | -86.2 | 167.4 | 0 | 0 | 0 | 113.8 | R103 I106 L110 I138 K141 | R103-L392 HydrophobicContact CB-CB 4.1Å; R103-L392 HydrophobicContact CG-CB 4.32Å; I106-L392 HydrophobicContact CB-CD1 3.64Å; I106-L392 HydrophobicContact CD1-CD1 3.9Å; I106-L392 HydrophobicContact CG1-CD1 4.42Å; I106-L392 HydrophobicContact CG2-CD1 3.3Å; L110-L392 HydrophobicContact CD1-CD1 4.19Å; L110-L392 HydrophobicContact CD1-CD2 4.11Å; I138-L392 HydrophobicContact CG1-CD1 4.39Å; K141-L392 HydrophobicContact CB-CD2 4.11Å; K141-L392 HydrophobicContact CD-CD2 4.18Å; K141-L392 HydrophobicContact CG-CD2 4.29Å |
Retrieved 392 of 392 residues in 89 ms
(Link to these results)