| 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 | 40.8 | Very low | 32.6 | Very low | 249 Ų | 249 | 182.5 Ų | 182.5 | 100% | 1.227 | 86% | 0.863 | S | S | * | * | 0 | 92 | 0 | -86.2 | 155.9 | 169.2 | 0 | 0 | 108.8 | |||||
| 2 | G | 36 | Very low | 32.1 | Very low | 79 Ų | 79 | 182.3 Ų | 182.3 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | trans | -96.3 | 107.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K4 | G2-K4 PolarHBondContact O-N 3.2Š| ||
| 3 | M | 36.7 | Very low | 31.7 | Very low | 191 Ų | 191 | 177.3 Ų | 177.3 | 94% | 0.941 | 85% | 0.845 | S | S | * | * | trans | -77.7 | 99.4 | 175.9 | -86.2 | -179.2 | 166.7 | 0 | 0 | 111.1 | ||||
| 4 | K | 34.9 | Very low | 31.1 | Very low | 201 Ų | 201 | 172.9 Ų | 172.9 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | 25 | 102.5 | 136.3 | -61.6 | -177.6 | 179.1 | -179.9 | 0 | 117.7 | G2 | G2-K4 PolarHBondContact O-N 3.2Š| ||
| 5 | K | 33.8 | Very low | 30.7 | Very low | 217 Ų | 217 | 166.3 Ų | 166.3 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -88.5 | 122.6 | 147.4 | -74 | -178.5 | 176.9 | 179.9 | 0 | 108.6 | ||||
| 6 | A | 29.5 | Very low | 30.3 | Very low | 82 Ų | 82 | 161.8 Ų | 161.8 | 68% | 0.678 | 83% | 0.834 | S | S | * | * | trans | -149.7 | 118.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 7 | Q | 30.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 161.3 Ų | 161.3 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | 145.5 | 147.7 | 114.7 | -87.1 | 172.7 | -62 | 0 | 0 | 104.7 | |||||
| 8 | Q | 32.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 162.6 Ų | 162.6 | 70% | 0.696 | 83% | 0.834 | S | S | * | * | cis | -162.9 | 120.4 | 11.5 | -144.2 | 152.4 | -50.2 | 0 | 0 | 109 | ||||
| 9 | R | 26.1 | Very low | 29.2 | Very low | 219 Ų | 219 | 166.4 Ų | 166.4 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | 34.4 | 121.3 | 127.3 | -67 | -176.2 | 170.6 | -168.3 | -2.7 | 120.9 | |||||
| 10 | R | 30.4 | Very low | 29 | Very low | 220 Ų | 220 | 165.9 Ų | 165.9 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | 146.1 | 111.2 | 120.3 | -80.3 | 179.4 | -170.4 | -163.5 | 3.1 | 108.8 | |||||
| 11 | R | 27.6 | Very low | 28.8 | Very low | 232 Ų | 232 | 167 Ų | 167 | 88% | 0.875 | 84% | 0.838 | S | S | * | * | 51.6 | 132.8 | 97.2 | -79.3 | -170.7 | -178.8 | -176.7 | 1.2 | 111.9 | |||||
| 12 | K | 26.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 161.7 Ų | 161.7 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | cis | -174.6 | 149.8 | -0.3 | -129 | -168.9 | 177.3 | -174.6 | 0 | 104.2 | ||||
| 13 | V | 27.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 166.2 Ų | 166.2 | 71% | 0.709 | 83% | 0.825 | S | S | * | * | trans | 70.7 | 104.1 | 147.4 | -175.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 14 | S | 23.8 | Very low | 27.3 | Very low | 116 Ų | 116 | 166 Ų | 166 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -18.8 | 133.7 | 137.2 | 51.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 15 | G | 24.8 | Very low | 27 | Very low | 74 Ų | 74 | 162.7 Ų | 162.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 160.9 | 123.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 16 | A | 24.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 157.8 Ų | 157.8 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 62.9 | 113.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 17 | L | 23.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 159.7 Ų | 159.7 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | 53.9 | 93.7 | 79.8 | -79.7 | 165.5 | 0 | 0 | 0 | 112.7 | |||||
| 18 | E | 24.6 | Very low | 26.9 | Very low | 185 Ų | 185 | 158.7 Ų | 158.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -146 | 122.6 | 150.7 | -117.4 | 166.9 | -169.8 | 0 | 0 | 108.2 | ||||
| 19 | W | 21.9 | Very low | 27.1 | Very low | 235 Ų | 235 | 160 Ų | 160 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -85.4 | 124.1 | 173.1 | -72.9 | 84.8 | 0 | 0 | 0 | 107.3 | ||||
| 20 | N | 25.4 | Very low | 27.2 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -125.7 | 128.1 | 165.7 | -98.7 | -14.8 | 0 | 0 | 0 | 110.2 | ||||
| 21 | E | 24.4 | Very low | 27.6 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -68.6 | 120.4 | 171.2 | -61.4 | 170.1 | 148.5 | 0 | 0 | 109.5 | ||||
| 22 | T | 27.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -145.7 | 118.6 | 148.4 | 46.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 23 | L | 27.4 | Very low | 28.2 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -30 | 122 | 157.6 | -65.1 | 146.3 | 0 | 0 | 0 | 113.1 | ||||
| 24 | E | 27.5 | Very low | 28.8 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -164.7 | 129 | 144.6 | -108 | 168.9 | -150.7 | 0 | 0 | 109 | P26 | E24-P26 WeakPolarHBondContact O-CD 3.18Š| ||
| 25 | T | 27 | Very low | 29.3 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -59.9 | 123.2 | -177.4 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 26 | P | 31.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -103 | 98.2 | 162.5 | 26.7 | -10.3 | 0 | 0 | 0 | 109.1 | E24 | E24-P26 WeakPolarHBondContact O-CD 3.18Š| ||
| 27 | T | 28.9 | Very low | 31 | Very low | 121 Ų | 121 | 163.9 Ų | 163.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -52.6 | 140.5 | 156.1 | 27.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 28 | L | 32.6 | Very low | 32 | Very low | 149 Ų | 149 | 162.9 Ų | 162.9 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | 73.2 | 66 | 161.3 | -54.7 | 167.8 | 0 | 0 | 0 | 116.8 | N30 | L28-N30 PolarHBondContact O-N 3.35Å; L28-N30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | M | 35.6 | Very low | 33 | Very low | 177 Ų | 177 | 162 Ų | 162 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -70.2 | 98.3 | 152.2 | -80.8 | -87.5 | -179 | 0 | 0 | 108.5 | F31 | M29-F31 PolarHBondContact O-N 3.37Š| ||
| 30 | N | 29.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 155.7 Ų | 155.7 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | trans | -51.3 | 121.3 | 171.4 | -75.8 | -50.6 | 0 | 0 | 0 | 110.3 | L28 Y32 | L28-N30 PolarHBondContact O-N 3.35Å; L28-N30 VanDerWaalsContact O-N 3.09Å; N30-Y32 WeakPolarHBondContact O-CD2 3.4Å; N30-Y32 PolarHBondContact O-N 2.71Å | ||
| 31 | F | 37.3 | Very low | 35.1 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -60.6 | 97.7 | 167.5 | -77.4 | -93.2 | 0 | 0 | 0 | 108.8 | M29 W33 | M29-F31 PolarHBondContact O-N 3.37Å; F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å | ||
| 32 | Y | 33.2 | Very low | 36.1 | Very low | 207 Ų | 207 | 151.9 Ų | 151.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -68.2 | 96.9 | 165.6 | -72.6 | -83.5 | 0 | 0 | 0 | 108 | N30 T34 | N30-Y32 WeakPolarHBondContact O-CD2 3.4Å; N30-Y32 PolarHBondContact O-N 2.71Å; Y32-T34 PolarHBondContact O-N 2.68Å | ||
| 33 | W | 33.4 | Very low | 36.9 | Very low | 232 Ų | 232 | 154.1 Ų | 154.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -59.6 | 102.7 | 163 | -66.5 | 88.8 | 0 | 0 | 0 | 107.8 | F31 V35 | F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å; W33-V35 PolarHBondContact O-N 2.86Å | ||
| 34 | T | 39.2 | Very low | 37.9 | Very low | 129 Ų | 129 | 155 Ų | 155 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 110 | 170.6 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | Y32 | Y32-T34 PolarHBondContact O-N 2.68Š| ||
| 35 | V | 34.6 | Very low | 38.9 | Very low | 131 Ų | 131 | 151 Ų | 151 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124.4 | 171.6 | -166.4 | 0 | 0 | 0 | 0 | 107.9 | W33 R37 | W33-V35 PolarHBondContact O-N 2.86Å; V35-R37 PolarHBondContact O-N 3.13Å |
| 36 | P | 42.5 | Very low | 40.2 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 60% | 0.597 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.7 | -176.3 | 20.7 | -29.5 | 0 | 0 | 0 | 110.7 | I38 | P36-I38 PolarHBondContact O-N 3.1Š|
| 37 | R | 42.1 | Very low | 41.7 | Very low | 229 Ų | 229 | 154.4 Ų | 154.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.1 | 169.3 | -79.7 | -172.6 | -177.4 | -151.3 | 1.4 | 108.6 | V35 M39 | V35-R37 PolarHBondContact O-N 3.13Å; R37-M39 PolarHBondContact O-N 2.78Å; R37-M39 VanDerWaalsContact O-N 3.13Å |
| 38 | I | 45 | Very low | 43.7 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 106 | 171 | -60.3 | 166.3 | 0 | 0 | 0 | 107.2 | P36 V40 | P36-I38 PolarHBondContact O-N 3.1Å; I38-V40 HydrophobicContact CG2-CG2 3.69Å | ||
| 39 | M | 46.4 | Very low | 46 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -91.4 | 103 | 169.9 | -66.3 | -91.7 | -156.3 | 0 | 0 | 107.1 | R37 | R37-M39 PolarHBondContact O-N 2.78Å; R37-M39 VanDerWaalsContact O-N 3.13Å | ||
| 40 | V | 43.6 | Very low | 48.4 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | trans | -90.6 | 109.1 | 172.3 | -164.3 | 0 | 0 | 0 | 0 | 107.2 | I38 S42 | I38-V40 HydrophobicContact CG2-CG2 3.69Å; V40-S42 PolarHBondContact O-N 2.88Å | ||
| 41 | N | 47.5 | Very low | 51.2 | Low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | trans | -83 | 99.3 | 165.8 | -99.7 | -1.7 | 0 | 0 | 0 | 107.6 | ||||
| 42 | S | 45.1 | Very low | 53.7 | Low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -102.6 | 80.8 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 110 | V40 | V40-S42 PolarHBondContact O-N 2.88Š| ||
| 43 | H | 44.8 | Very low | 56.4 | Low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | -141.2 | 120.5 | 157.7 | -87 | -77.7 | 0 | 0 | 0 | 108.6 | ||||
| 44 | E | 48.1 | Very low | 59.2 | Low | 192 Ų | 192 | 123.8 Ų | 123.8 | 90% | 0.897 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 93.7 | 130.3 | 175.5 | -62 | 179.6 | 156.1 | 0 | 0 | 117.6 | Q46 | E44-Q46 PolarHBondContact O-N 3.3Š|
| 45 | A | 49.2 | Very low | 61.7 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -78.5 | 96.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 46 | Q | 54.8 | Low | 64.5 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 76% | 0.757 | 61% | 0.614 | S | S | * | * | trans | -157.7 | 127.1 | 154.2 | -99.3 | 157.1 | 17.5 | 0 | 0 | 104.3 | E44 T48 | E44-Q46 PolarHBondContact O-N 3.3Å; Q46-T48 PolarHBondContact O-N 2.97Å | ||
| 47 | D | 62.8 | Low | 66.8 | Low | 155 Ų | 155 | 117.4 Ų | 117.4 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | trans | -67.1 | 36.2 | -173 | -82.8 | -29.1 | 0 | 0 | 0 | 114 | ||||
| 48 | T | 69.4 | Low | 69.1 | Low | 61 Ų | 61 | 109 Ų | 109 | 37% | 0.374 | 60% | 0.597 | S | S | . | * | trans | -95.5 | 96.4 | 178.3 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | Q46 Q50 N75 | Q46-T48 PolarHBondContact O-N 2.97Å; T48-Q50 PolarHBondContact O-N 3.21Å; T48-N75 WeakPolarHBondContact CG2-OD1 3.45Å | ||
| 49 | I | 82.1 | Confident | 71.3 | Confident | 113 Ų | 113 | 106 Ų | 106 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.9 | 172 | -60.9 | 174.4 | 0 | 0 | 0 | 107.7 | V74 | I49-V74 PolarHBondContact N-O 3.03Å; I49-V74 PolarHBondContact O-N 2.97Å |
| 50 | Q | 86.2 | Confident | 73.3 | Confident | 113 Ų | 113 | 103.8 Ų | 103.8 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 123.4 | 174.5 | -68.8 | -171.6 | -16.9 | 0 | 0 | 110.1 | T48 L71 F72 | T48-Q50 PolarHBondContact O-N 3.21Å; Q50-L71 HydrophobicContact CB-CD1 4.04Å; Q50-L71 HydrophobicContact CB-CD2 4.39Å; Q50-L71 HydrophobicContact CB-CG 4.36Å; Q50-F72 WeakPolarHBondContact CA-O 3.33Å |
| 51 | I | 87.1 | Confident | 75.2 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.4 | 179.1 | -166.2 | 163.7 | 0 | 0 | 0 | 111.4 | L71 F72 | I51-L71 VanDerWaalsContact C-CD1 3.49Å; I51-L71 WeakPolarHBondContact O-CA 3.4Å; I51-F72 HydrophobicContact CG2-CB 4.4Å; I51-F72 PolarHBondContact N-O 3.17Å; I51-F72 PolarHBondContact O-N 3.27Å |
| 52 | W | 89.6 | Confident | 77 | Confident | 76 Ų | 76 | 95.1 Ų | 95.1 | 29% | 0.288 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 137.8 | 170.1 | -75.6 | 102 | 0 | 0 | 0 | 110.1 | R69 E70 L71 R84 E86 | W52-R69 HydrophobicContact CD2-CG 4.42Å; W52-R69 HydrophobicContact CE3-CB 4.14Å; W52-R69 HydrophobicContact CE3-CG 3.56Å; W52-R69 HydrophobicContact CZ3-CG 3.77Å; W52-E70 WeakPolarHBondContact CA-O 3.37Å; W52-L71 HydrophobicContact CB-CD1 4.48Å; W52-L71 HydrophobicContact CD2-CB 3.89Å; W52-L71 HydrophobicContact CD2-CD1 3.72Å; W52-L71 HydrophobicContact CD2-CG 4.39Å; W52-L71 HydrophobicContact CE3-CB 3.79Å; W52-L71 HydrophobicContact CE3-CD1 4.44Å; W52-L71 HydrophobicContact CG-CD1 3.71Å; W52-L71 HydrophobicContact CH2-CB 3.84Å; W52-L71 HydrophobicContact CZ2-CB 3.93Å; W52-L71 HydrophobicContact CZ2-CD1 4.31Å; W52-L71 HydrophobicContact CZ2-CD2 4.31Å; W52-L71 HydrophobicContact CZ2-CG 4.42Å; W52-L71 HydrophobicContact CZ3-CB 3.76Å; W52-R84 HydrophobicContact CH2-CB 4.36Å; W52-R84 HydrophobicContact CH2-CG 4.19Å; W52-E86 HydrophobicContact CH2-CB 3.93Å; W52-E86 HydrophobicContact CZ3-CB 4.05Å |
| 53 | T | 91.2 | Very high | 79 | Confident | 57 Ų | 57 | 91.4 Ų | 91.4 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 162.3 | 162.7 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | E70 F72 | T53-E70 PolarHBondContact N-O 3.29Å; T53-E70 PolarHBondContact OG1-N 3.42Å; T53-E70 PolarHBondContact OG1-O 3.31Å; T53-F72 HydrophobicContact CG2-CD2 3.76Å; T53-F72 HydrophobicContact CG2-CE2 3.57Å |
| 54 | G | 91.2 | Very high | 81.2 | Confident | 50 Ų | 50 | 89 Ų | 89 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 155.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S56 | G54-S56 PolarHBondContact O-N 2.95Š|
| 55 | W | 92.8 | Very high | 83.3 | Confident | 79 Ų | 79 | 80 Ų | 80 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.1 | 171.7 | -71.9 | 101.4 | 0 | 0 | 0 | 110.7 | R67 F68 R69 E86 A88 | W55-R67 HydrophobicContact CD2-CG 4.17Å; W55-R67 HydrophobicContact CE3-CB 4.13Å; W55-R67 HydrophobicContact CE3-CG 3.62Å; W55-R67 HydrophobicContact CZ3-CG 4.16Å; W55-R67 WeakPolarHBondContact CZ3-O 3.47Å; W55-F68 VanDerWaalsContact CE3-C 3.45Å; W55-R69 HydrophobicContact CD2-CB 4.15Å; W55-R69 HydrophobicContact CD2-CG 4.07Å; W55-R69 HydrophobicContact CE3-CB 3.98Å; W55-R69 HydrophobicContact CE3-CG 3.9Å; W55-R69 HydrophobicContact CH2-CG 3.79Å; W55-R69 HydrophobicContact CZ2-CG 3.96Å; W55-R69 HydrophobicContact CZ3-CB 4.29Å; W55-R69 HydrophobicContact CZ3-CG 3.76Å; W55-E86 HydrophobicContact CH2-CB 4.47Å; W55-E86 HydrophobicContact CH2-CG 4.09Å; W55-A88 HydrophobicContact CH2-CB 3.43Å; W55-A88 VanDerWaalsContact CH2-CB 3.43Å; W55-A88 HydrophobicContact CZ2-CB 4.13Å; W55-A88 HydrophobicContact CZ3-CB 3.7Å |
| 56 | S | 93.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 160 | 169 | 75.6 | 0 | 0 | 0 | 0 | 111.1 | G54 R67 F68 | G54-S56 PolarHBondContact O-N 2.95Å; S56-R67 WeakPolarHBondContact OG-CA 3.37Å; S56-F68 WeakPolarHBondContact CB-O 3.43Å; S56-F68 PolarHBondContact N-O 2.86Å; S56-F68 WeakPolarHBondContact OG-CD1 2.99Å; S56-F68 PolarHBondContact OG-N 2.86Å |
| 57 | P | 90.8 | Very high | 87.3 | Confident | 115 Ų | 115 | 74.3 Ų | 74.3 | 75% | 0.747 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 155.6 | 159.8 | 26.8 | -34.5 | 0 | 0 | 0 | 110 | ||
| 58 | C | 90.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 72 Ų | 72 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 140.9 | 173.6 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | E60 C90 | C58-E60 WeakPolarHBondContact CB-O 3.45Å; C58-E60 PolarHBondContact O-N 2.94Å; C58-C90 VanDerWaalsContact CA-SG 3.54Å; C58-C90 HydrophobicContact CB-CB 4.04Å; C58-C90 WeakPolarHBondContact CB-SG 3.06Å; C58-C90 WeakPolarHBondContact SG-CB 3.33Å; C58-C90 CovalentContact SG-SG 2.03Å; C58-C90 PolarHBondContact SG-SG 3.28Å |
| 59 | S | 91.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 49% | 0.49 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -59.7 | -31.1 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | T66 | S59-T66 WeakPolarHBondContact CB-O 3.42Å; S59-T66 PolarHBondContact N-O 2.95Å; S59-T66 PolarHBondContact OG-N 2.86Å; S59-T66 PolarHBondContact OG-O 2.86Å |
| 60 | E | 87.2 | Confident | 90.6 | Very high | 118 Ų | 118 | 70 Ų | 70 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -125.6 | 146.4 | -179.2 | -59.6 | -62.7 | 158.5 | 0 | 0 | 109.6 | C58 C62 | C58-E60 WeakPolarHBondContact CB-O 3.45Å; C58-E60 PolarHBondContact O-N 2.94Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 WeakPolarHBondContact CB-O 3.17Å |
| 61 | S | 83.9 | Confident | 90.9 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 49% | 0.49 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -76.9 | -16.5 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 113 | ||
| 62 | C | 86.3 | Confident | 91 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -148.8 | 172 | 175.9 | 72.8 | 0 | 0 | 0 | 0 | 111.6 | E60 I93 C95 | E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 WeakPolarHBondContact CB-O 3.17Å; C62-I93 CarbonylContact C-O 3.33Å; C62-I93 HydrophobicContact CB-CG2 4.34Å; C62-C95 VanDerWaalsContact C-SG 3.55Å; C62-C95 HydrophobicContact CB-CB 3.89Å; C62-C95 WeakPolarHBondContact CB-SG 3.25Å; C62-C95 WeakPolarHBondContact SG-CA 3.44Å; C62-C95 WeakPolarHBondContact SG-CB 3.48Å; C62-C95 CovalentContact SG-SG 2.06Å; C62-C95 PolarHBondContact SG-SG 3.11Å |
| 63 | G | 86.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | 75.8 | -145 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G65 I93 C95 | G63-G65 PolarHBondContact O-N 2.89Å; G63-I93 WeakPolarHBondContact CA-O 3.45Å; G63-I93 PolarHBondContact N-O 2.97Å; G63-C95 PolarHBondContact N-SG 2.81Å; G63-C95 VanDerWaalsContact N-SG 3.4Å |
| 64 | N | 90.4 | Very high | 90.3 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 72% | 0.722 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -96 | 72.4 | 178.1 | -76.5 | -30.9 | 0 | 0 | 0 | 110.2 | F92 | N64-F92 WeakPolarHBondContact OD1-CD2 3.4Š|
| 65 | G | 91.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | trans | -70.5 | 161.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G63 C90 | G63-G65 PolarHBondContact O-N 2.89Å; G65-C90 WeakPolarHBondContact O-CB 3.47Å; G65-C90 PolarHBondContact O-N 3.33Å | ||
| 66 | T | 94.6 | Very high | 88.4 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.2 | 172.2 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | S59 T87 A88 | S59-T66 WeakPolarHBondContact CB-O 3.42Å; S59-T66 PolarHBondContact N-O 2.95Å; S59-T66 PolarHBondContact OG-N 2.86Å; S59-T66 PolarHBondContact OG-O 2.86Å; T66-T87 HydrophobicContact CG2-CG2 4.45Å; T66-A88 WeakPolarHBondContact CA-O 3.43Å |
| 67 | R | 94.9 | Very high | 87.2 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.5 | 173.1 | 56.6 | -179.5 | -174.6 | -179.3 | -1 | 108.7 | W55 S56 T87 A88 | W55-R67 HydrophobicContact CD2-CG 4.17Å; W55-R67 HydrophobicContact CE3-CB 4.13Å; W55-R67 HydrophobicContact CE3-CG 3.62Å; W55-R67 HydrophobicContact CZ3-CG 4.16Å; W55-R67 WeakPolarHBondContact CZ3-O 3.47Å; S56-R67 WeakPolarHBondContact OG-CA 3.37Å; R67-T87 WeakPolarHBondContact O-CA 3.02Å; R67-A88 PolarHBondContact N-O 3.05Å; R67-A88 PolarHBondContact O-N 3.34Å |
| 68 | F | 95 | Very high | 86.2 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 157.8 | 178.5 | 70.9 | -84.9 | 0 | 0 | 0 | 111.5 | W55 S56 E70 E86 | W55-F68 VanDerWaalsContact CE3-C 3.45Å; S56-F68 WeakPolarHBondContact CB-O 3.43Å; S56-F68 PolarHBondContact N-O 2.86Å; S56-F68 WeakPolarHBondContact OG-CD1 2.99Å; S56-F68 PolarHBondContact OG-N 2.86Å; F68-E70 HydrophobicContact CD2-CG 4.2Å; F68-E70 HydrophobicContact CE2-CG 4.34Å; F68-E86 CarbonylContact C-O 3.54Å; F68-E86 WeakPolarHBondContact CA-O 3.09Å; F68-E86 WeakPolarHBondContact CB-O 3.49Å |
| 69 | R | 94.7 | Very high | 85.6 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 24% | 0.242 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 155.5 | 168.4 | 61.3 | 173.4 | -179 | -173.3 | -1.7 | 109 | W52 W55 E86 | W52-R69 HydrophobicContact CD2-CG 4.42Å; W52-R69 HydrophobicContact CE3-CB 4.14Å; W52-R69 HydrophobicContact CE3-CG 3.56Å; W52-R69 HydrophobicContact CZ3-CG 3.77Å; W55-R69 HydrophobicContact CD2-CB 4.15Å; W55-R69 HydrophobicContact CD2-CG 4.07Å; W55-R69 HydrophobicContact CE3-CB 3.98Å; W55-R69 HydrophobicContact CE3-CG 3.9Å; W55-R69 HydrophobicContact CH2-CG 3.79Å; W55-R69 HydrophobicContact CZ2-CG 3.96Å; W55-R69 HydrophobicContact CZ3-CB 4.29Å; W55-R69 HydrophobicContact CZ3-CG 3.76Å; R69-E86 HydrophobicContact CG-CB 4.18Å; R69-E86 IonicContact CZ-OE2 3.17Å; R69-E86 PolarHBondContact N-O 2.68Å; R69-E86 IonicContact NE-OE2 3.26Å; R69-E86 PolarHBondContact NE-OE2 3.39Å; R69-E86 IonicContact NH2-OE1 2.67Å; R69-E86 IonicContact NH2-OE2 2.81Å; R69-E86 PolarHBondContact NH2-OE2 2.03Å; R69-E86 PolarHBondContact O-N 2.06Å |
| 70 | E | 92.9 | Very high | 85 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.9 | -176 | -66.2 | -179 | 146.1 | 0 | 0 | 109.5 | W52 T53 F68 F72 R84 N85 | W52-E70 WeakPolarHBondContact CA-O 3.37Å; T53-E70 PolarHBondContact N-O 3.29Å; T53-E70 PolarHBondContact OG1-N 3.42Å; T53-E70 PolarHBondContact OG1-O 3.31Å; F68-E70 HydrophobicContact CD2-CG 4.2Å; F68-E70 HydrophobicContact CE2-CG 4.34Å; E70-F72 HydrophobicContact CB-CD2 4.28Å; E70-F72 HydrophobicContact CB-CE2 3.65Å; E70-F72 HydrophobicContact CB-CZ 4.36Å; E70-R84 CarbonylContact C-O 3.59Å; E70-R84 WeakPolarHBondContact CA-O 3.47Å; E70-N85 HydrophobicContact CG-CB 4.42Å |
| 71 | L | 92.4 | Very high | 84.9 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.5 | 174.7 | -173.3 | 71.5 | 0 | 0 | 0 | 108.3 | Q50 I51 W52 V83 R84 | Q50-L71 HydrophobicContact CB-CD1 4.04Å; Q50-L71 HydrophobicContact CB-CD2 4.39Å; Q50-L71 HydrophobicContact CB-CG 4.36Å; I51-L71 VanDerWaalsContact C-CD1 3.49Å; I51-L71 WeakPolarHBondContact O-CA 3.4Å; W52-L71 HydrophobicContact CB-CD1 4.48Å; W52-L71 HydrophobicContact CD2-CB 3.89Å; W52-L71 HydrophobicContact CD2-CD1 3.72Å; W52-L71 HydrophobicContact CD2-CG 4.39Å; W52-L71 HydrophobicContact CE3-CB 3.79Å; W52-L71 HydrophobicContact CE3-CD1 4.44Å; W52-L71 HydrophobicContact CG-CD1 3.71Å; W52-L71 HydrophobicContact CH2-CB 3.84Å; W52-L71 HydrophobicContact CZ2-CB 3.93Å; W52-L71 HydrophobicContact CZ2-CD1 4.31Å; W52-L71 HydrophobicContact CZ2-CD2 4.31Å; W52-L71 HydrophobicContact CZ2-CG 4.42Å; W52-L71 HydrophobicContact CZ3-CB 3.76Å; L71-V83 HydrophobicContact CB-CG2 4.27Å; L71-V83 HydrophobicContact CD2-CG2 3.95Å; L71-V83 HydrophobicContact CG-CG2 4.04Å; L71-V83 WeakPolarHBondContact O-CG2 3.41Å; L71-V83 PolarHBondContact O-N 2.83Å; L71-R84 HydrophobicContact CB-CB 3.94Å; L71-R84 HydrophobicContact CD2-CB 4.25Å; L71-R84 PolarHBondContact N-O 3.4Å |
| 72 | F | 88.7 | Confident | 85 | Confident | 46 Ų | 46 | 67 Ų | 67 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 136.4 | 174.5 | -72.7 | -93.8 | 0 | 0 | 0 | 109.9 | Q50 I51 T53 E70 P80 V81 A82 | Q50-F72 WeakPolarHBondContact CA-O 3.33Å; I51-F72 HydrophobicContact CG2-CB 4.4Å; I51-F72 PolarHBondContact N-O 3.17Å; I51-F72 PolarHBondContact O-N 3.27Å; T53-F72 HydrophobicContact CG2-CD2 3.76Å; T53-F72 HydrophobicContact CG2-CE2 3.57Å; E70-F72 HydrophobicContact CB-CD2 4.28Å; E70-F72 HydrophobicContact CB-CE2 3.65Å; E70-F72 HydrophobicContact CB-CZ 4.36Å; F72-P80 HydrophobicContact CB-CB 4.33Å; F72-P80 HydrophobicContact CD1-CB 3.87Å; F72-P80 HydrophobicContact CG-CB 4.46Å; F72-V81 WeakPolarHBondContact CA-O 3.21Å; F72-A82 HydrophobicContact CD1-CB 4.21Å; F72-A82 HydrophobicContact CE1-CB 3.78Å; F72-A82 HydrophobicContact CZ-CB 4.03Å |
| 73 | S | 86 | Confident | 85.2 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 12% | 0.119 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.2 | 169.6 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | V81 | S73-V81 PolarHBondContact N-O 2.97Å; S73-V81 PolarHBondContact O-N 3.15Å |
| 74 | V | 80.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.9 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | I49 P80 | I49-V74 PolarHBondContact N-O 3.03Å; I49-V74 PolarHBondContact O-N 2.97Å; V74-P80 HydrophobicContact CG2-CB 4.23Å; V74-P80 HydrophobicContact CG2-CG 4.27Å |
| 75 | N | 78.4 | Confident | 85.5 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | trans | -87.8 | 133.9 | 165 | -57.5 | -18 | 0 | 0 | 0 | 106 | T48 T77 E78 | T48-N75 WeakPolarHBondContact CG2-OD1 3.45Å; N75-T77 PolarHBondContact O-N 2.64Å; N75-E78 HydrophobicContact CB-CB 4.5Å; N75-E78 PolarHBondContact ND2-OE2 2.83Å; N75-E78 VanDerWaalsContact ND2-OE2 3.1Å; N75-E78 PolarHBondContact O-N 3.43Å | ||
| 76 | G | 66.6 | Low | 85.7 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 76% | 0.763 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 0.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 77 | T | 67.1 | Low | 85.8 | Confident | 142 Ų | 142 | 80 Ų | 80 | 87% | 0.871 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | -0.4 | 177 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | N75 | N75-T77 PolarHBondContact O-N 2.64Š|
| 78 | E | 69.9 | Low | 85.7 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -112.9 | 154.6 | -173.5 | -68.5 | 179.2 | 156.7 | 0 | 0 | 112.7 | N75 | N75-E78 HydrophobicContact CB-CB 4.5Å; N75-E78 PolarHBondContact ND2-OE2 2.83Å; N75-E78 VanDerWaalsContact ND2-OE2 3.1Å; N75-E78 PolarHBondContact O-N 3.43Å |
| 79 | T | 77.6 | Confident | 85.7 | Confident | 116 Ų | 116 | 77 Ų | 77 | 71% | 0.712 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 137.1 | 171.6 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | V81 | T79-V81 WeakPolarHBondContact O-CG2 3.46Å; T79-V81 PolarHBondContact O-N 2.95Å; T79-V81 VanDerWaalsContact O-N 3.15Å |
| 80 | P | 80.7 | Confident | 85.5 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 122.7 | 178.4 | -23.3 | 30.9 | 0 | 0 | 0 | 111 | F72 V74 | F72-P80 HydrophobicContact CB-CB 4.33Å; F72-P80 HydrophobicContact CD1-CB 3.87Å; F72-P80 HydrophobicContact CG-CB 4.46Å; V74-P80 HydrophobicContact CG2-CB 4.23Å; V74-P80 HydrophobicContact CG2-CG 4.27Å |
| 81 | V | 84 | Confident | 85.3 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.9 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | F72 S73 T79 V83 | F72-V81 WeakPolarHBondContact CA-O 3.21Å; S73-V81 PolarHBondContact N-O 2.97Å; S73-V81 PolarHBondContact O-N 3.15Å; T79-V81 WeakPolarHBondContact O-CG2 3.46Å; T79-V81 PolarHBondContact O-N 2.95Å; T79-V81 VanDerWaalsContact O-N 3.15Å; V81-V83 PolarHBondContact O-N 3.5Å |
| 82 | A | 85.9 | Confident | 85 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | F72 | F72-A82 HydrophobicContact CD1-CB 4.21Å; F72-A82 HydrophobicContact CE1-CB 3.78Å; F72-A82 HydrophobicContact CZ-CB 4.03Å |
| 83 | V | 89.8 | Confident | 84.7 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -22 | -176.9 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | L71 V81 | L71-V83 HydrophobicContact CB-CG2 4.27Å; L71-V83 HydrophobicContact CD2-CG2 3.95Å; L71-V83 HydrophobicContact CG-CG2 4.04Å; L71-V83 WeakPolarHBondContact O-CG2 3.41Å; L71-V83 PolarHBondContact O-N 2.83Å; V81-V83 PolarHBondContact O-N 3.5Å |
| 84 | R | 92.1 | Very high | 84.6 | Confident | 160 Ų | 160 | 83.7 Ų | 83.7 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 146.4 | -179.7 | -165.6 | 178.4 | 179.5 | -168.9 | -0.3 | 111.1 | W52 E70 L71 | W52-R84 HydrophobicContact CH2-CB 4.36Å; W52-R84 HydrophobicContact CH2-CG 4.19Å; E70-R84 CarbonylContact C-O 3.59Å; E70-R84 WeakPolarHBondContact CA-O 3.47Å; L71-R84 HydrophobicContact CB-CB 3.94Å; L71-R84 HydrophobicContact CD2-CB 4.25Å; L71-R84 PolarHBondContact N-O 3.4Å |
| 85 | N | 93.3 | Very high | 84.8 | Confident | 113 Ų | 113 | 83.8 Ų | 83.8 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.6 | 167.7 | 59.4 | 4.2 | 0 | 0 | 0 | 110.5 | E70 | E70-N85 HydrophobicContact CG-CB 4.42Å |
| 86 | E | 95.6 | Very high | 85.2 | Confident | 68 Ų | 68 | 82.4 Ų | 82.4 | 32% | 0.318 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.7 | 173.6 | -172.2 | -178.1 | 179.4 | 0 | 0 | 108.8 | W52 W55 F68 R69 | W52-E86 HydrophobicContact CH2-CB 3.93Å; W52-E86 HydrophobicContact CZ3-CB 4.05Å; W55-E86 HydrophobicContact CH2-CB 4.47Å; W55-E86 HydrophobicContact CH2-CG 4.09Å; F68-E86 CarbonylContact C-O 3.54Å; F68-E86 WeakPolarHBondContact CA-O 3.09Å; F68-E86 WeakPolarHBondContact CB-O 3.49Å; R69-E86 HydrophobicContact CG-CB 4.18Å; R69-E86 IonicContact CZ-OE2 3.17Å; R69-E86 PolarHBondContact N-O 2.68Å; R69-E86 IonicContact NE-OE2 3.26Å; R69-E86 PolarHBondContact NE-OE2 3.39Å; R69-E86 IonicContact NH2-OE1 2.67Å; R69-E86 IonicContact NH2-OE2 2.81Å; R69-E86 PolarHBondContact NH2-OE2 2.03Å; R69-E86 PolarHBondContact O-N 2.06Å |
| 87 | T | 95.1 | Very high | 86.2 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.5 | 175.7 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | T66 R67 | T66-T87 HydrophobicContact CG2-CG2 4.45Å; R67-T87 WeakPolarHBondContact O-CA 3.02Å |
| 88 | A | 94.1 | Very high | 87.2 | Confident | 28 Ų | 28 | 79 Ų | 79 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | W55 T66 R67 | W55-A88 HydrophobicContact CH2-CB 3.43Å; W55-A88 VanDerWaalsContact CH2-CB 3.43Å; W55-A88 HydrophobicContact CZ2-CB 4.13Å; W55-A88 HydrophobicContact CZ3-CB 3.7Å; T66-A88 WeakPolarHBondContact CA-O 3.43Å; R67-A88 PolarHBondContact N-O 3.05Å; R67-A88 PolarHBondContact O-N 3.34Å |
| 89 | S | 94.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 67% | 0.671 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 141.9 | 172.6 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 90 | C | 90.6 | Very high | 88.8 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 9% | 0.088 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 158.2 | 168 | -72.9 | 0 | 0 | 0 | 0 | 111 | C58 G65 F92 | C58-C90 VanDerWaalsContact CA-SG 3.54Å; C58-C90 HydrophobicContact CB-CB 4.04Å; C58-C90 WeakPolarHBondContact CB-SG 3.06Å; C58-C90 WeakPolarHBondContact SG-CB 3.33Å; C58-C90 CovalentContact SG-SG 2.03Å; C58-C90 PolarHBondContact SG-SG 3.28Å; G65-C90 WeakPolarHBondContact O-CB 3.47Å; G65-C90 PolarHBondContact O-N 3.33Å; C90-F92 PolarHBondContact O-N 2.99Å |
| 91 | P | 87.9 | Confident | 89.3 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 135.6 | 165.8 | -21.4 | 33.1 | 0 | 0 | 0 | 109.9 | I93 | P91-I93 PolarHBondContact O-N 3.11Š|
| 92 | F | 86 | Confident | 89.5 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 123.4 | 178.5 | 177 | -101.9 | 0 | 0 | 0 | 110.3 | N64 C90 P94 | N64-F92 WeakPolarHBondContact OD1-CD2 3.4Å; C90-F92 PolarHBondContact O-N 2.99Å; F92-P94 HydrophobicContact CD1-CG 4.37Å; F92-P94 HydrophobicContact CE1-CB 4.12Å; F92-P94 HydrophobicContact CE1-CG 3.84Å; F92-P94 HydrophobicContact CZ-CB 4.45Å |
| 93 | I | 83.4 | Confident | 89.6 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -114.3 | 117.6 | 172.4 | -62.7 | 171.7 | 0 | 0 | 0 | 106.5 | C62 G63 P91 C95 | C62-I93 CarbonylContact C-O 3.33Å; C62-I93 HydrophobicContact CB-CG2 4.34Å; G63-I93 WeakPolarHBondContact CA-O 3.45Å; G63-I93 PolarHBondContact N-O 2.97Å; P91-I93 PolarHBondContact O-N 3.11Å; I93-C95 PolarHBondContact O-N 3.48Å |
| 94 | P | 83.2 | Confident | 89.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 29% | 0.286 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 134.1 | 179.7 | -14.8 | 24.7 | 0 | 0 | 0 | 111 | F92 W132 | F92-P94 HydrophobicContact CD1-CG 4.37Å; F92-P94 HydrophobicContact CE1-CB 4.12Å; F92-P94 HydrophobicContact CE1-CG 3.84Å; F92-P94 HydrophobicContact CZ-CB 4.45Å; P94-W132 HydrophobicContact CB-CG 4.28Å; P94-W132 HydrophobicContact CG-CD2 4.29Å; P94-W132 HydrophobicContact CG-CG 4.13Å |
| 95 | C | 85.5 | Confident | 89.3 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 149.5 | 177.8 | -75 | 0 | 0 | 0 | 0 | 112.1 | C62 G63 I93 I97 | C62-C95 VanDerWaalsContact C-SG 3.55Å; C62-C95 HydrophobicContact CB-CB 3.89Å; C62-C95 WeakPolarHBondContact CB-SG 3.25Å; C62-C95 WeakPolarHBondContact SG-CA 3.44Å; C62-C95 WeakPolarHBondContact SG-CB 3.48Å; C62-C95 CovalentContact SG-SG 2.06Å; C62-C95 PolarHBondContact SG-SG 3.11Å; G63-C95 PolarHBondContact N-SG 2.81Å; G63-C95 VanDerWaalsContact N-SG 3.4Å; I93-C95 PolarHBondContact O-N 3.48Å; C95-I97 PolarHBondContact O-N 2.96Å |
| 96 | P | 87.3 | Confident | 89.1 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60 | 137.6 | 173.6 | 26.7 | -34.3 | 0 | 0 | 0 | 109.7 | I130 V136 V138 | P96-I130 VanDerWaalsContact CA-O 3.25Å; P96-I130 WeakPolarHBondContact CA-O 3.31Å; P96-V136 HydrophobicContact CG-CB 3.96Å; P96-V136 HydrophobicContact CG-CG1 3.92Å; P96-V136 HydrophobicContact CG-CG2 4.48Å; P96-V138 HydrophobicContact CB-CG1 3.47Å; P96-V138 VanDerWaalsContact CB-CG1 3.47Å |
| 97 | I | 87.1 | Confident | 88.8 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 33% | 0.328 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 128.5 | 179.3 | -58.8 | 177.6 | 0 | 0 | 0 | 107.8 | C95 R127 A129 I130 | C95-I97 PolarHBondContact O-N 2.96Å; I97-R127 VanDerWaalsContact CG2-CZ 3.43Å; I97-R127 VanDerWaalsContact CG2-NE 3.32Å; I97-A129 WeakPolarHBondContact O-CA 3.41Å; I97-I130 PolarHBondContact N-O 3.27Å; I97-I130 VanDerWaalsContact N-O 3.11Å; I97-I130 PolarHBondContact O-N 2.9Å |
| 98 | D | 88.9 | Confident | 88.5 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | trans | -68.3 | 147.8 | 174.2 | -70.3 | -34.7 | 0 | 0 | 0 | 111.6 | V139 | D98-V139 HydrophobicContact CB-CB 4.26Å; D98-V139 PolarHBondContact OD1-N 3.06Å | ||
| 99 | C | 91.5 | Very high | 88.4 | Confident | 16 Ų | 16 | 77.3 Ų | 77.3 | 11% | 0.108 | 43% | 0.425 | C | S | . | . | trans | -62.3 | 140.2 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | R127 A129 V139 C141 | C99-R127 VanDerWaalsContact CA-O 3.31Å; C99-R127 WeakPolarHBondContact CA-O 3.44Å; C99-R127 PolarHBondContact SG-O 2.83Å; C99-A129 HydrophobicContact CB-CB 4.08Å; C99-V139 VanDerWaalsContact CB-O 3.23Å; C99-V139 WeakPolarHBondContact CB-O 3.33Å; C99-V139 PolarHBondContact N-O 3.48Å; C99-V139 VanDerWaalsContact N-O 3.16Å; C99-C141 HydrophobicContact CB-CB 4.01Å; C99-C141 WeakPolarHBondContact CB-SG 3.07Å; C99-C141 WeakPolarHBondContact SG-CB 3.36Å; C99-C141 CovalentContact SG-SG 2.01Å; C99-C141 PolarHBondContact SG-SG 3.12Å | ||
| 100 | I | 88.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 36% | 0.359 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.9 | 170.4 | -59.6 | -175.9 | 0 | 0 | 0 | 108.2 | I126 R127 | I100-I126 HydrophobicContact CB-CB 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.12Å; I100-I126 HydrophobicContact CG2-CD1 4.05Å; I100-I126 HydrophobicContact CG2-CG1 4.48Å; I100-I126 PolarHBondContact O-N 3.01Å; I100-R127 HydrophobicContact CB-CB 4.41Å; I100-R127 VanDerWaalsContact CD1-CZ 3.48Å; I100-R127 PolarHBondContact N-O 3.36Å; I100-R127 PolarHBondContact O-N 3.39Å; I100-R127 VanDerWaalsContact O-N 3.11Å |
| 101 | E | 90.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 160.7 | 177.7 | 57.2 | -171.7 | -169.7 | 0 | 0 | 111.5 | R123 Q124 C141 | E101-R123 IonicContact OE1-CZ 3.65Å; E101-R123 VanDerWaalsContact OE1-CZ 3.3Å; E101-R123 IonicContact OE1-NH1 3.08Å; E101-R123 PolarHBondContact OE1-NH1 2.91Å; E101-R123 IonicContact OE1-NH2 3.04Å; E101-R123 WeakPolarHBondContact OE2-CD 3.47Å; E101-R123 IonicContact OE2-CZ 2.68Å; E101-R123 IonicContact OE2-NE 3.72Å; E101-R123 PolarHBondContact OE2-NE 2.86Å; E101-R123 VanDerWaalsContact OE2-NE 3.16Å; E101-R123 IonicContact OE2-NH1 3.77Å; E101-R123 PolarHBondContact OE2-NH1 2.95Å; E101-R123 VanDerWaalsContact OE2-NH1 3.1Å; E101-R123 IonicContact OE2-NH2 2.86Å; E101-R123 PolarHBondContact OE2-NH2 2.82Å; E101-Q124 CarbonylContact C-O 3.25Å; E101-Q124 VanDerWaalsContact CA-O 3.25Å; E101-Q124 WeakPolarHBondContact CA-O 3.38Å; E101-C141 PolarHBondContact OE2-SG 2.82Å; E101-C141 VanDerWaalsContact OE2-SG 3.37Å |
| 102 | T | 88.2 | Confident | 88.4 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -78 | 168 | 172.1 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | R123 Q124 I126 | T102-R123 WeakPolarHBondContact OG1-CA 3.49Å; T102-Q124 HydrophobicContact CG2-CB 4.02Å; T102-Q124 PolarHBondContact N-O 2.99Å; T102-Q124 PolarHBondContact OG1-N 2.83Å; T102-I126 HydrophobicContact CG2-CD1 3.89Å; T102-I126 HydrophobicContact CG2-CG1 3.84Å |
| 103 | D | 89.6 | Confident | 88.4 | Confident | 131 Ų | 131 | 73 Ų | 73 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 162.2 | 161.3 | -64.2 | -41.7 | 0 | 0 | 0 | 111.4 | F105 | D103-F105 HydrophobicContact CB-CZ 4.2Å; D103-F105 WeakPolarHBondContact O-CD2 3.42Å; D103-F105 WeakPolarHBondContact O-CE2 3.35Å |
| 104 | L | 87.5 | Confident | 88.7 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 40% | 0.398 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 128.8 | 175.4 | -75.8 | 165.7 | 0 | 0 | 0 | 110.6 | L121 R123 V146 | L104-L121 HydrophobicContact CB-CB 4.15Å; L104-L121 HydrophobicContact CB-CD1 4.05Å; L104-L121 HydrophobicContact CD1-CD1 4.25Å; L104-L121 HydrophobicContact CD2-CB 3.92Å; L104-L121 HydrophobicContact CG-CB 4.5Å; L104-R123 HydrophobicContact CD2-CB 3.92Å; L104-R123 HydrophobicContact CD2-CG 3.99Å; L104-V146 HydrophobicContact CD1-CG2 4.48Å; L104-V146 HydrophobicContact CD2-CB 4.15Å; L104-V146 HydrophobicContact CD2-CG2 3.75Å |
| 105 | F | 86.5 | Confident | 88.7 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.4 | 177.2 | -56.2 | -78 | 0 | 0 | 0 | 111.4 | D103 Y107 L121 I122 | D103-F105 HydrophobicContact CB-CZ 4.2Å; D103-F105 WeakPolarHBondContact O-CD2 3.42Å; D103-F105 WeakPolarHBondContact O-CE2 3.35Å; F105-Y107 PolarHBondContact O-N 3.26Å; F105-L121 CarbonylContact O-C 3.55Å; F105-L121 VanDerWaalsContact O-CA 3.22Å; F105-L121 WeakPolarHBondContact O-CA 3.48Å; F105-I122 PolarHBondContact N-O 2.01Å; F105-I122 PolarHBondContact O-N 3.37Å |
| 106 | P | 88.9 | Confident | 88.9 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 124.7 | 172.9 | -23 | 33.8 | 0 | 0 | 0 | 111.4 | ||
| 107 | Y | 89.1 | Confident | 89.1 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | trans | -108.1 | -39.3 | 177.2 | -178.9 | -110.1 | 0 | 0 | 0 | 112.1 | F105 S120 I122 | F105-Y107 PolarHBondContact O-N 3.26Å; Y107-S120 WeakPolarHBondContact CA-O 3.34Å; Y107-S120 VanDerWaalsContact CB-O 3.29Å; Y107-S120 WeakPolarHBondContact CB-O 3.39Å; Y107-S120 PolarHBondContact N-O 3.44Å; Y107-I122 HydrophobicContact CD2-CB 4.05Å; Y107-I122 HydrophobicContact CD2-CD1 3.98Å; Y107-I122 HydrophobicContact CD2-CG2 3.85Å; Y107-I122 HydrophobicContact CE2-CD1 4.1Å; Y107-I122 HydrophobicContact CG-CB 4.07Å; Y107-I122 HydrophobicContact CG-CG2 4.17Å | ||
| 108 | S | 89.7 | Confident | 89.4 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -127.3 | 153.7 | 178 | 82.9 | 0 | 0 | 0 | 0 | 112 | S119 S120 | S108-S119 PolarHBondContact O-OG 2.92Å; S108-S120 PolarHBondContact N-O 3.05Å; S108-S120 VanDerWaalsContact N-O 3.11Å; S108-S120 PolarHBondContact OG-N 3.09Å |
| 109 | V | 91.3 | Very high | 89.6 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 80% | 0.8 | 38% | 0.382 | S | S | * | . | trans | -67.4 | 160.6 | 161.4 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 110 | C | 91.9 | Very high | 89.7 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | trans | -65 | 134.7 | 172.5 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | S112 C150 N151 | C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.87Å; C110-S112 PolarHBondContact SG-O 3.16Å; C110-C150 VanDerWaalsContact CA-SG 3.53Å; C110-C150 HydrophobicContact CB-CB 3.84Å; C110-C150 WeakPolarHBondContact CB-SG 3.39Å; C110-C150 WeakPolarHBondContact SG-CB 3.4Å; C110-C150 CovalentContact SG-SG 2.02Å; C110-C150 PolarHBondContact SG-SG 3.41Å; C110-N151 WeakPolarHBondContact CB-ND2 3.28Å; C110-N151 PolarHBondContact SG-ND2 3.13Å | ||
| 111 | N | 91.9 | Very high | 89.8 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -72.9 | -20.7 | 179.8 | 64 | -0.5 | 0 | 0 | 0 | 114.3 | G117 T118 | N111-G117 WeakPolarHBondContact OD1-CA 3.5Å; N111-T118 PolarHBondContact N-O 3.1Å; N111-T118 VanDerWaalsContact N-O 3.16Å; N111-T118 PolarHBondContact ND2-OG1 3.21Å; N111-T118 PolarHBondContact OD1-N 3.34Å; N111-T118 PolarHBondContact OD1-O 2.93Å |
| 112 | S | 89.1 | Confident | 89.9 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | trans | -123.7 | 136.5 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | C110 C114 G116 N151 | C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.87Å; C110-S112 PolarHBondContact SG-O 3.16Å; S112-C114 VanDerWaalsContact C-N 3.33Å; S112-G116 WeakPolarHBondContact CB-O 3.21Å; S112-G116 PolarHBondContact OG-O 2.6Å; S112-N151 WeakPolarHBondContact O-CB 3.44Å; S112-N151 PolarHBondContact O-ND2 3.28Å | ||
| 113 | P | 87.3 | Confident | 89.9 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -73.5 | -24.1 | 178.4 | 28.8 | -33.6 | 0 | 0 | 0 | 113.4 | N151 Q191 | P113-N151 WeakPolarHBondContact O-CB 3.48Å; P113-N151 PolarHBondContact O-ND2 2.66Å; P113-Q191 WeakPolarHBondContact CB-O 2.97Å; P113-Q191 HydrophobicContact CG-CB 3.99Å; P113-Q191 VanDerWaalsContact CG-O 3.31Å; P113-Q191 WeakPolarHBondContact CG-O 3.25Å |
| 114 | C | 88 | Confident | 89.8 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -160 | 174.3 | -179.2 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | S112 G116 N151 C155 | S112-C114 VanDerWaalsContact C-N 3.33Å; C114-G116 PolarHBondContact O-N 2.66Å; C114-N151 CarbonylContact C-O 3.56Å; C114-N151 WeakPolarHBondContact CA-O 3.49Å; C114-C155 HydrophobicContact CB-CB 4Å; C114-C155 WeakPolarHBondContact CB-SG 3.23Å; C114-C155 PolarHBondContact O-SG 3.21Å; C114-C155 WeakPolarHBondContact SG-CA 2.96Å; C114-C155 WeakPolarHBondContact SG-CB 3.1Å; C114-C155 CovalentContact SG-SG 2.03Å; C114-C155 PolarHBondContact SG-SG 3.35Å |
| 115 | G | 84.7 | Confident | 89.9 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 76.7 | 7.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N151 E153 C155 | G115-N151 PolarHBondContact N-O 3.38Å; G115-N151 VanDerWaalsContact N-O 3.15Å; G115-E153 PolarHBondContact N-O 2.83Å; G115-C155 PolarHBondContact N-SG 3.27Å |
| 116 | G | 88.7 | Confident | 90 | Very high | 34 Ų | 34 | 64 Ų | 64 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | trans | 95.9 | 123.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S112 C114 N151 | S112-G116 WeakPolarHBondContact CB-O 3.21Å; S112-G116 PolarHBondContact OG-O 2.6Å; C114-G116 PolarHBondContact O-N 2.66Å; G116-N151 WeakPolarHBondContact CA-O 3.44Å; G116-N151 PolarHBondContact N-O 2.96Å | ||
| 117 | G | 92 | Very high | 90 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 177 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | N111 S149 C150 | N111-G117 WeakPolarHBondContact OD1-CA 3.5Å; G117-S149 WeakPolarHBondContact O-CA 3.33Å; G117-C150 PolarHBondContact N-O 2.65Å; G117-C150 PolarHBondContact O-N 3.33Å |
| 118 | T | 94.3 | Very high | 89.8 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.3 | 171.6 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | N111 I148 | N111-T118 PolarHBondContact N-O 3.1Å; N111-T118 VanDerWaalsContact N-O 3.16Å; N111-T118 PolarHBondContact ND2-OG1 3.21Å; N111-T118 PolarHBondContact OD1-N 3.34Å; N111-T118 PolarHBondContact OD1-O 2.93Å; T118-I148 WeakPolarHBondContact CA-O 3.07Å |
| 119 | S | 92.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.9 | 171.1 | 169.3 | 0 | 0 | 0 | 0 | 107.8 | S108 I148 C150 | S108-S119 PolarHBondContact O-OG 2.92Å; S119-I148 PolarHBondContact N-O 2.94Å; S119-I148 VanDerWaalsContact O-CG1 3.23Å; S119-I148 WeakPolarHBondContact O-CG1 3.34Å; S119-I148 PolarHBondContact O-N 3.33Å; S119-C150 PolarHBondContact N-SG 2.8Å |
| 120 | S | 92.8 | Very high | 89.3 | Confident | 23 Ų | 23 | 56 Ų | 56 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.9 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 110 | Y107 S108 V146 | Y107-S120 WeakPolarHBondContact CA-O 3.34Å; Y107-S120 VanDerWaalsContact CB-O 3.29Å; Y107-S120 WeakPolarHBondContact CB-O 3.39Å; Y107-S120 PolarHBondContact N-O 3.44Å; S108-S120 PolarHBondContact N-O 3.05Å; S108-S120 VanDerWaalsContact N-O 3.11Å; S108-S120 PolarHBondContact OG-N 3.09Å; S120-V146 CarbonylContact C-O 3.6Å; S120-V146 WeakPolarHBondContact CA-O 3.46Å |
| 121 | L | 91.9 | Very high | 88.8 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.1 | 163.9 | -56.9 | -178 | 0 | 0 | 0 | 108.9 | L104 F105 V145 V146 I148 | L104-L121 HydrophobicContact CB-CB 4.15Å; L104-L121 HydrophobicContact CB-CD1 4.05Å; L104-L121 HydrophobicContact CD1-CD1 4.25Å; L104-L121 HydrophobicContact CD2-CB 3.92Å; L104-L121 HydrophobicContact CG-CB 4.5Å; F105-L121 CarbonylContact O-C 3.55Å; F105-L121 VanDerWaalsContact O-CA 3.22Å; F105-L121 WeakPolarHBondContact O-CA 3.48Å; L121-V145 CarbonylContact O-C 3.56Å; L121-V145 WeakPolarHBondContact O-CA 3.46Å; L121-V146 PolarHBondContact N-O 3.09Å; L121-V146 PolarHBondContact O-N 2.91Å; L121-I148 HydrophobicContact CD1-CD1 4.06Å; L121-I148 HydrophobicContact CD1-CG2 4.02Å; L121-I148 HydrophobicContact CD2-CD1 4.08Å; L121-I148 HydrophobicContact CG-CD1 3.94Å; L121-I148 HydrophobicContact CG-CG1 4.24Å; L121-I148 HydrophobicContact CG-CG2 4.29Å |
| 122 | I | 91 | Very high | 87.9 | Confident | 47 Ų | 47 | 60 Ų | 60 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.6 | 175.4 | -165.1 | 168.6 | 0 | 0 | 0 | 110.7 | F105 Y107 T144 V145 | F105-I122 PolarHBondContact N-O 2.01Å; F105-I122 PolarHBondContact O-N 3.37Å; Y107-I122 HydrophobicContact CD2-CB 4.05Å; Y107-I122 HydrophobicContact CD2-CD1 3.98Å; Y107-I122 HydrophobicContact CD2-CG2 3.85Å; Y107-I122 HydrophobicContact CE2-CD1 4.1Å; Y107-I122 HydrophobicContact CG-CB 4.07Å; Y107-I122 HydrophobicContact CG-CG2 4.17Å; I122-T144 CarbonylContact C-O 3.27Å; I122-T144 VanDerWaalsContact CA-O 3.28Å; I122-T144 WeakPolarHBondContact CA-O 3.06Å; I122-T144 WeakPolarHBondContact CG1-O 3.41Å; I122-V145 HydrophobicContact CD1-CG2 4.33Å; I122-V145 HydrophobicContact CG1-CG2 4.27Å |
| 123 | R | 88.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | trans | -130 | 153.7 | 166.9 | 61.4 | -174.5 | 180 | 168.3 | 22.8 | 109.8 | E101 T102 L104 T143 T144 | E101-R123 IonicContact OE1-CZ 3.65Å; E101-R123 VanDerWaalsContact OE1-CZ 3.3Å; E101-R123 IonicContact OE1-NH1 3.08Å; E101-R123 PolarHBondContact OE1-NH1 2.91Å; E101-R123 IonicContact OE1-NH2 3.04Å; E101-R123 WeakPolarHBondContact OE2-CD 3.47Å; E101-R123 IonicContact OE2-CZ 2.68Å; E101-R123 IonicContact OE2-NE 3.72Å; E101-R123 PolarHBondContact OE2-NE 2.86Å; E101-R123 VanDerWaalsContact OE2-NE 3.16Å; E101-R123 IonicContact OE2-NH1 3.77Å; E101-R123 PolarHBondContact OE2-NH1 2.95Å; E101-R123 VanDerWaalsContact OE2-NH1 3.1Å; E101-R123 IonicContact OE2-NH2 2.86Å; E101-R123 PolarHBondContact OE2-NH2 2.82Å; T102-R123 WeakPolarHBondContact OG1-CA 3.49Å; L104-R123 HydrophobicContact CD2-CB 3.92Å; L104-R123 HydrophobicContact CD2-CG 3.99Å; R123-T143 PolarHBondContact NE-O 2.04Å; R123-T143 PolarHBondContact NH2-O 2.85Å; R123-T144 PolarHBondContact N-O 3.16Å; R123-T144 WeakPolarHBondContact O-CB 3.48Å | ||
| 124 | Q | 88 | Confident | 85.7 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | trans | -109.3 | 144 | 178.6 | -65.2 | -177.3 | -30.7 | 0 | 0 | 110.4 | E101 T102 I126 | E101-Q124 CarbonylContact C-O 3.25Å; E101-Q124 VanDerWaalsContact CA-O 3.25Å; E101-Q124 WeakPolarHBondContact CA-O 3.38Å; T102-Q124 HydrophobicContact CG2-CB 4.02Å; T102-Q124 PolarHBondContact N-O 2.99Å; T102-Q124 PolarHBondContact OG1-N 2.83Å; Q124-I126 PolarHBondContact O-N 3.43Å | ||
| 125 | I | 89.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 109.5 | 172.3 | -62 | 172 | 0 | 0 | 0 | 107.3 | C141 T144 | I125-C141 HydrophobicContact CD1-CB 3.99Å; I125-C141 HydrophobicContact CG1-CB 4Å; I125-T144 HydrophobicContact CD1-CG2 4.38Å; I125-T144 HydrophobicContact CG1-CG2 4.45Å |
| 126 | I | 87.9 | Confident | 84.2 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 60% | 0.595 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -38.6 | 176.4 | -57.9 | -179.6 | 0 | 0 | 0 | 109.6 | I100 T102 Q124 | I100-I126 HydrophobicContact CB-CB 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.12Å; I100-I126 HydrophobicContact CG2-CD1 4.05Å; I100-I126 HydrophobicContact CG2-CG1 4.48Å; I100-I126 PolarHBondContact O-N 3.01Å; T102-I126 HydrophobicContact CG2-CD1 3.89Å; T102-I126 HydrophobicContact CG2-CG1 3.84Å; Q124-I126 PolarHBondContact O-N 3.43Å |
| 127 | R | 87.9 | Confident | 83.6 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 128 | 178.8 | -172.9 | 176.2 | 65.5 | -153.7 | 4.9 | 110.7 | I97 C99 I100 | I97-R127 VanDerWaalsContact CG2-CZ 3.43Å; I97-R127 VanDerWaalsContact CG2-NE 3.32Å; C99-R127 VanDerWaalsContact CA-O 3.31Å; C99-R127 WeakPolarHBondContact CA-O 3.44Å; C99-R127 PolarHBondContact SG-O 2.83Å; I100-R127 HydrophobicContact CB-CB 4.41Å; I100-R127 VanDerWaalsContact CD1-CZ 3.48Å; I100-R127 PolarHBondContact N-O 3.36Å; I100-R127 PolarHBondContact O-N 3.39Å; I100-R127 VanDerWaalsContact O-N 3.11Å |
| 128 | P | 85.6 | Confident | 83.2 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -71.3 | 158.4 | 177.5 | 31.2 | -35.6 | 0 | 0 | 0 | 111.7 | ||||
| 129 | A | 87.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 74.2 Ų | 74.2 | 17% | 0.174 | 42% | 0.419 | C | S | . | . | trans | -68.9 | 143.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I97 C99 V138 | I97-A129 WeakPolarHBondContact O-CA 3.41Å; C99-A129 HydrophobicContact CB-CB 4.08Å; A129-V138 HydrophobicContact CB-CB 4.31Å; A129-V138 HydrophobicContact CB-CG2 4.02Å | ||
| 130 | I | 83.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -129.1 | 123.7 | 178.3 | -56.9 | 178.7 | 0 | 0 | 0 | 108.8 | P96 I97 W132 | P96-I130 VanDerWaalsContact CA-O 3.25Å; P96-I130 WeakPolarHBondContact CA-O 3.31Å; I97-I130 PolarHBondContact N-O 3.27Å; I97-I130 VanDerWaalsContact N-O 3.11Å; I97-I130 PolarHBondContact O-N 2.9Å; I130-W132 VanDerWaalsContact CG2-CD1 3.41Å; I130-W132 HydrophobicContact CG2-CG 4.39Å |
| 131 | S | 81.6 | Confident | 82.1 | Confident | 70 Ų | 70 | 78.6 Ų | 78.6 | 49% | 0.49 | 44% | 0.437 | S | S | . | . | trans | -127.2 | 111 | 173.9 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | N133 | S131-N133 PolarHBondContact O-N 2.8Š| ||
| 132 | W | 72.8 | Confident | 81.5 | Confident | 150 Ų | 150 | 83.5 Ų | 83.5 | 57% | 0.568 | 46% | 0.464 | S | S | * | . | trans | -95.8 | 59.5 | 179.2 | -67.9 | 96.3 | 0 | 0 | 0 | 112 | P94 I130 S134 | P94-W132 HydrophobicContact CB-CG 4.28Å; P94-W132 HydrophobicContact CG-CD2 4.29Å; P94-W132 HydrophobicContact CG-CG 4.13Å; I130-W132 VanDerWaalsContact CG2-CD1 3.41Å; I130-W132 HydrophobicContact CG2-CG 4.39Å; W132-S134 PolarHBondContact O-N 2.04Å | ||
| 133 | N | 67 | Low | 81 | Confident | 167 Ų | 167 | 85 Ų | 85 | 89% | 0.893 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 56.6 | 19 | 179.9 | -57.2 | -27.6 | 0 | 0 | 0 | 115 | S131 G135 | S131-N133 PolarHBondContact O-N 2.8Å; N133-G135 PolarHBondContact O-N 3.35Å; N133-G135 VanDerWaalsContact O-N 3.09Å |
| 134 | S | 63.6 | Low | 80.8 | Confident | 20 Ų | 20 | 85.8 Ų | 85.8 | 14% | 0.14 | 49% | 0.485 | C | S | . | . | trans | -70.4 | -3.4 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | W132 V136 | W132-S134 PolarHBondContact O-N 2.04Å; S134-V136 PolarHBondContact O-N 2.82Å | ||
| 135 | G | 67.7 | Low | 80.9 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 85% | 0.845 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 66.7 | -0.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N133 | N133-G135 PolarHBondContact O-N 3.35Å; N133-G135 VanDerWaalsContact O-N 3.09Å |
| 136 | V | 72.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | trans | -90.1 | 128 | -179.9 | 179 | 0 | 0 | 0 | 0 | 109.2 | P96 S134 | P96-V136 HydrophobicContact CG-CB 3.96Å; P96-V136 HydrophobicContact CG-CG1 3.92Å; P96-V136 HydrophobicContact CG-CG2 4.48Å; S134-V136 PolarHBondContact O-N 2.82Å | ||
| 137 | S | 76.5 | Confident | 81.1 | Confident | 118 Ų | 118 | 82 Ų | 82 | 83% | 0.825 | 47% | 0.47 | S | S | * | . | trans | -65.6 | 134 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 138 | V | 82 | Confident | 81.4 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 16% | 0.158 | 47% | 0.468 | C | S | . | . | trans | -111.1 | 149.7 | 174.1 | -73 | 0 | 0 | 0 | 0 | 110.6 | P96 A129 Q140 | P96-V138 HydrophobicContact CB-CG1 3.47Å; P96-V138 VanDerWaalsContact CB-CG1 3.47Å; A129-V138 HydrophobicContact CB-CB 4.31Å; A129-V138 HydrophobicContact CB-CG2 4.02Å; V138-Q140 VanDerWaalsContact CG2-NE2 3.29Å; V138-Q140 PolarHBondContact O-N 2.85Å | ||
| 139 | V | 86.2 | Confident | 81.7 | Confident | 92 Ų | 92 | 80.8 Ų | 80.8 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | trans | -73 | 116 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | D98 C99 | D98-V139 HydrophobicContact CB-CB 4.26Å; D98-V139 PolarHBondContact OD1-N 3.06Å; C99-V139 VanDerWaalsContact CB-O 3.23Å; C99-V139 WeakPolarHBondContact CB-O 3.33Å; C99-V139 PolarHBondContact N-O 3.48Å; C99-V139 VanDerWaalsContact N-O 3.16Å | ||
| 140 | Q | 85.9 | Confident | 82 | Confident | 110 Ų | 110 | 80.8 Ų | 80.8 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | trans | -91.4 | 135.3 | 177.2 | -64.7 | -68.2 | -22.8 | 0 | 0 | 110.8 | V138 | V138-Q140 VanDerWaalsContact CG2-NE2 3.29Å; V138-Q140 PolarHBondContact O-N 2.85Å | ||
| 141 | C | 86 | Confident | 82.2 | Confident | 18 Ų | 18 | 81.4 Ų | 81.4 | 12% | 0.122 | 48% | 0.476 | C | S | . | . | trans | -91.3 | 111.7 | 168.5 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | C99 E101 I125 | C99-C141 HydrophobicContact CB-CB 4.01Å; C99-C141 WeakPolarHBondContact CB-SG 3.07Å; C99-C141 WeakPolarHBondContact SG-CB 3.36Å; C99-C141 CovalentContact SG-SG 2.01Å; C99-C141 PolarHBondContact SG-SG 3.12Å; E101-C141 PolarHBondContact OE2-SG 2.82Å; E101-C141 VanDerWaalsContact OE2-SG 3.37Å; I125-C141 HydrophobicContact CD1-CB 3.99Å; I125-C141 HydrophobicContact CG1-CB 4Å | ||
| 142 | N | 78.4 | Confident | 82.6 | Confident | 137 Ų | 137 | 83 Ų | 83 | 73% | 0.733 | 48% | 0.483 | S | S | * | . | trans | -87.1 | -51.1 | -172.5 | -72.3 | -4.1 | 0 | 0 | 0 | 113.6 | ||||
| 143 | T | 80.7 | Confident | 83.1 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | trans | -123.2 | 128.7 | -167.1 | -37.1 | 0 | 0 | 0 | 0 | 111.6 | R123 V145 | R123-T143 PolarHBondContact NE-O 2.04Å; R123-T143 PolarHBondContact NH2-O 2.85Å; T143-V145 WeakPolarHBondContact CG2-O 3.21Å | ||
| 144 | T | 84.7 | Confident | 83.8 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -82.9 | -30.5 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | I122 R123 I125 | I122-T144 CarbonylContact C-O 3.27Å; I122-T144 VanDerWaalsContact CA-O 3.28Å; I122-T144 WeakPolarHBondContact CA-O 3.06Å; I122-T144 WeakPolarHBondContact CG1-O 3.41Å; R123-T144 PolarHBondContact N-O 3.16Å; R123-T144 WeakPolarHBondContact O-CB 3.48Å; I125-T144 HydrophobicContact CD1-CG2 4.38Å; I125-T144 HydrophobicContact CG1-CG2 4.45Å |
| 145 | V | 89.9 | Confident | 84.8 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.2 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | L121 I122 T143 | L121-V145 CarbonylContact O-C 3.56Å; L121-V145 WeakPolarHBondContact O-CA 3.46Å; I122-V145 HydrophobicContact CD1-CG2 4.33Å; I122-V145 HydrophobicContact CG1-CG2 4.27Å; T143-V145 WeakPolarHBondContact CG2-O 3.21Å |
| 146 | V | 89.8 | Confident | 85.5 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.7 | 179.9 | -180 | 0 | 0 | 0 | 0 | 108.8 | L104 S120 L121 I148 | L104-V146 HydrophobicContact CD1-CG2 4.48Å; L104-V146 HydrophobicContact CD2-CB 4.15Å; L104-V146 HydrophobicContact CD2-CG2 3.75Å; S120-V146 CarbonylContact C-O 3.6Å; S120-V146 WeakPolarHBondContact CA-O 3.46Å; L121-V146 PolarHBondContact N-O 3.09Å; L121-V146 PolarHBondContact O-N 2.91Å; V146-I148 HydrophobicContact CG1-CG2 4.36Å |
| 147 | E | 92.6 | Very high | 85.9 | Confident | 149 Ų | 149 | 74.9 Ų | 74.9 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.8 | 173.9 | -64.5 | -173.5 | 159.3 | 0 | 0 | 110.6 | ||
| 148 | I | 93.1 | Very high | 86.1 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.3 | 177.3 | 61 | 162.1 | 0 | 0 | 0 | 110.1 | T118 S119 L121 V146 | T118-I148 WeakPolarHBondContact CA-O 3.07Å; S119-I148 PolarHBondContact N-O 2.94Å; S119-I148 VanDerWaalsContact O-CG1 3.23Å; S119-I148 WeakPolarHBondContact O-CG1 3.34Å; S119-I148 PolarHBondContact O-N 3.33Å; L121-I148 HydrophobicContact CD1-CD1 4.06Å; L121-I148 HydrophobicContact CD1-CG2 4.02Å; L121-I148 HydrophobicContact CD2-CD1 4.08Å; L121-I148 HydrophobicContact CG-CD1 3.94Å; L121-I148 HydrophobicContact CG-CG1 4.24Å; L121-I148 HydrophobicContact CG-CG2 4.29Å; V146-I148 HydrophobicContact CG1-CG2 4.36Å |
| 149 | S | 93.8 | Very high | 86.2 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.2 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | G117 | G117-S149 WeakPolarHBondContact O-CA 3.33Å |
| 150 | C | 92.5 | Very high | 86 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.142 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.3 | 178.4 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | C110 G117 S119 V152 | C110-C150 VanDerWaalsContact CA-SG 3.53Å; C110-C150 HydrophobicContact CB-CB 3.84Å; C110-C150 WeakPolarHBondContact CB-SG 3.39Å; C110-C150 WeakPolarHBondContact SG-CB 3.4Å; C110-C150 CovalentContact SG-SG 2.02Å; C110-C150 PolarHBondContact SG-SG 3.41Å; G117-C150 PolarHBondContact N-O 2.65Å; G117-C150 PolarHBondContact O-N 3.33Å; S119-C150 PolarHBondContact N-SG 2.8Å; C150-V152 VanDerWaalsContact C-N 3.31Å; C150-V152 PolarHBondContact O-N 3.33Å |
| 151 | N | 89.2 | Confident | 85.9 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | 49.3 | 47 | 174.5 | -60.8 | -14.1 | 0 | 0 | 0 | 114.1 | C110 S112 P113 C114 G115 G116 E153 | C110-N151 WeakPolarHBondContact CB-ND2 3.28Å; C110-N151 PolarHBondContact SG-ND2 3.13Å; S112-N151 WeakPolarHBondContact O-CB 3.44Å; S112-N151 PolarHBondContact O-ND2 3.28Å; P113-N151 WeakPolarHBondContact O-CB 3.48Å; P113-N151 PolarHBondContact O-ND2 2.66Å; C114-N151 CarbonylContact C-O 3.56Å; C114-N151 WeakPolarHBondContact CA-O 3.49Å; G115-N151 PolarHBondContact N-O 3.38Å; G115-N151 VanDerWaalsContact N-O 3.15Å; G116-N151 WeakPolarHBondContact CA-O 3.44Å; G116-N151 PolarHBondContact N-O 2.96Å; N151-E153 PolarHBondContact O-N 3.28Å | ||
| 152 | V | 88.5 | Confident | 85.8 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | trans | -72.2 | -13.7 | -176.5 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | C150 | C150-V152 VanDerWaalsContact C-N 3.31Å; C150-V152 PolarHBondContact O-N 3.33Å | ||
| 153 | E | 83.5 | Confident | 86.1 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -58.6 | 140.6 | 174.9 | -65.3 | -175.7 | 174.6 | 0 | 0 | 111.1 | G115 N151 | G115-E153 PolarHBondContact N-O 2.83Å; N151-E153 PolarHBondContact O-N 3.28Å |
| 154 | P | 82.5 | Confident | 86.4 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.4 | 178.6 | 25.5 | -34.2 | 0 | 0 | 0 | 111.6 | G194 | P154-G194 CarbonylContact C-O 3.49Å; P154-G194 PolarHBondContact O-N 3.3Å |
| 155 | C | 84.5 | Confident | 86.4 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 10% | 0.095 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 146.8 | 170.9 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | C114 G115 Y157 L189 T190 L192 G194 | C114-C155 HydrophobicContact CB-CB 4Å; C114-C155 WeakPolarHBondContact CB-SG 3.23Å; C114-C155 PolarHBondContact O-SG 3.21Å; C114-C155 WeakPolarHBondContact SG-CA 2.96Å; C114-C155 WeakPolarHBondContact SG-CB 3.1Å; C114-C155 CovalentContact SG-SG 2.03Å; C114-C155 PolarHBondContact SG-SG 3.35Å; G115-C155 PolarHBondContact N-SG 3.27Å; C155-Y157 WeakPolarHBondContact O-CD2 3.39Å; C155-L189 HydrophobicContact CB-CD1 3.58Å; C155-L189 HydrophobicContact CB-CG 4.45Å; C155-T190 WeakPolarHBondContact CB-O 3.4Å; C155-L192 CarbonylContact C-O 3.57Å; C155-L192 WeakPolarHBondContact CA-O 3.39Å; C155-G194 CarbonylContact C-O 3.57Å; C155-G194 VanDerWaalsContact C-O 3.27Å |
| 156 | A | 82.9 | Confident | 86 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 19% | 0.19 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 149.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | T190 L192 | A156-T190 WeakPolarHBondContact CB-OG1 3.22Å; A156-T190 WeakPolarHBondContact O-CB 3.31Å; A156-T190 PolarHBondContact O-N 2.75Å; A156-T190 PolarHBondContact O-OG1 3.45Å; A156-L192 HydrophobicContact CB-CB 4.4Å; A156-L192 PolarHBondContact N-O 2.86Å |
| 157 | Y | 81.4 | Confident | 85.6 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 30% | 0.302 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137 | 170.4 | -70.4 | -102.8 | 0 | 0 | 0 | 109.6 | C155 F188 L189 N196 | C155-Y157 WeakPolarHBondContact O-CD2 3.39Å; Y157-F188 CarbonylContact C-O 3.54Å; Y157-F188 VanDerWaalsContact CA-O 3.26Å; Y157-F188 WeakPolarHBondContact CA-O 3.29Å; Y157-L189 HydrophobicContact CD1-CB 4.47Å; Y157-L189 HydrophobicContact CD1-CD1 4.43Å; Y157-L189 HydrophobicContact CE1-CB 4.22Å; Y157-L189 HydrophobicContact CE1-CD1 3.89Å; Y157-L189 HydrophobicContact CE2-CD1 4.07Å; Y157-N196 WeakPolarHBondContact CD2-O 3.38Å |
| 158 | D | 80.3 | Confident | 85.1 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 40% | 0.401 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.2 | 165.6 | -177.6 | 24.6 | 0 | 0 | 0 | 108.4 | Q160 F188 T190 | D158-Q160 PolarHBondContact OD2-NE2 3.1Å; D158-F188 HydrophobicContact CB-CB 4.46Å; D158-F188 PolarHBondContact N-O 2.77Å; D158-F188 PolarHBondContact O-N 2.95Å; D158-T190 HydrophobicContact CB-CG2 3.88Å |
| 159 | C | 83.4 | Confident | 84.5 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 32% | 0.324 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 103.9 | -173.6 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | V185 C199 | C159-V185 HydrophobicContact CB-CG1 3.85Å; C159-C199 VanDerWaalsContact CA-SG 3.52Å; C159-C199 HydrophobicContact CB-CB 3.97Å; C159-C199 WeakPolarHBondContact CB-SG 3.01Å; C159-C199 VanDerWaalsContact SG-CA 3.59Å; C159-C199 WeakPolarHBondContact SG-CB 3.35Å; C159-C199 CovalentContact SG-SG 2.04Å; C159-C199 PolarHBondContact SG-SG 3.16Å |
| 160 | Q | 81.9 | Confident | 83.8 | Confident | 91 Ų | 91 | 77.2 Ų | 77.2 | 43% | 0.425 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134 | -179.6 | -59.7 | -170.6 | -8.6 | 0 | 0 | 111.6 | D158 T162 V185 V186 F188 | D158-Q160 PolarHBondContact OD2-NE2 3.1Å; Q160-T162 PolarHBondContact O-N 3.25Å; Q160-V185 WeakPolarHBondContact O-CG1 3.44Å; Q160-V186 PolarHBondContact N-O 2.9Å; Q160-V186 PolarHBondContact O-N 2.85Å; Q160-F188 HydrophobicContact CB-CD2 4.49Å; Q160-F188 HydrophobicContact CB-CE2 4.02Å; Q160-F188 HydrophobicContact CG-CD2 4.21Å; Q160-F188 HydrophobicContact CG-CE2 4.09Å |
| 161 | P | 83.8 | Confident | 83 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130 | 174.6 | 28.7 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 162 | T | 84.3 | Confident | 82.3 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | trans | -106.3 | -21.4 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | Q160 T184 V186 | Q160-T162 PolarHBondContact O-N 3.25Å; T162-T184 PolarHBondContact N-O 2.81Å; T162-T184 PolarHBondContact OG1-O 2.9Å; T162-V186 HydrophobicContact CG2-CB 3.97Å; T162-V186 HydrophobicContact CG2-CG1 3.54Å; T162-V186 HydrophobicContact CG2-CG2 3.32Å | ||
| 163 | S | 84.3 | Confident | 81.2 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 32% | 0.315 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -108.2 | 158.1 | 176.1 | 82.2 | 0 | 0 | 0 | 0 | 111.6 | T184 | S163-T184 PolarHBondContact N-O 3.48Å; S163-T184 PolarHBondContact OG-N 3.43Å |
| 164 | Q | 86.7 | Confident | 80.2 | Confident | 180 Ų | 180 | 77.9 Ų | 77.9 | 84% | 0.841 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 161.1 | 158.1 | -63.9 | -173.7 | -4.5 | 0 | 0 | 109.7 | ||
| 165 | W | 85.2 | Confident | 79.1 | Confident | 74 Ų | 74 | 78 Ų | 78 | 28% | 0.28 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.8 | 171.1 | -73.8 | 105.6 | 0 | 0 | 0 | 111.4 | R181 R183 D202 E204 | W165-R181 HydrophobicContact CD2-CG 4.34Å; W165-R181 HydrophobicContact CE3-CB 4.36Å; W165-R181 HydrophobicContact CE3-CG 3.67Å; W165-R181 HydrophobicContact CZ3-CG 4.1Å; W165-R183 HydrophobicContact CD2-CB 4.15Å; W165-R183 HydrophobicContact CD2-CG 4.11Å; W165-R183 HydrophobicContact CE3-CB 3.92Å; W165-R183 HydrophobicContact CE3-CG 3.94Å; W165-R183 HydrophobicContact CH2-CG 4.03Å; W165-R183 HydrophobicContact CZ2-CG 4.18Å; W165-R183 HydrophobicContact CZ3-CB 4.3Å; W165-R183 HydrophobicContact CZ3-CG 3.91Å; W165-D202 WeakPolarHBondContact CH2-OD1 3.47Å; W165-D202 WeakPolarHBondContact CZ3-O 3.46Å; W165-E204 HydrophobicContact CH2-CB 3.97Å; W165-E204 HydrophobicContact CZ3-CB 4.05Å |
| 166 | S | 82.3 | Confident | 78.2 | Confident | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 164.8 | 167.9 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | N182 | S166-N182 WeakPolarHBondContact CB-O 3.14Å; S166-N182 WeakPolarHBondContact CB-OD1 3.49Å; S166-N182 PolarHBondContact N-O 2.8Å; S166-N182 PolarHBondContact OG-N 2.89Å; S166-N182 PolarHBondContact OG-O 3.22Å; S166-N182 PolarHBondContact OG-OD1 2.8Å |
| 167 | Q | 81.3 | Confident | 77.7 | Confident | 183 Ų | 183 | 83.9 Ų | 83.9 | 86% | 0.855 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 147.4 | 168.7 | -64.5 | -167.4 | -5.6 | 0 | 0 | 109.8 | S169 | Q167-S169 PolarHBondContact O-N 3.11Š|
| 168 | W | 81.1 | Confident | 77.6 | Confident | 59 Ų | 59 | 81 Ų | 81 | 22% | 0.223 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.3 | 174.4 | -70.3 | 99.4 | 0 | 0 | 0 | 110.7 | Q179 R181 E204 R206 | W168-Q179 HydrophobicContact CB-CB 4.33Å; W168-Q179 HydrophobicContact CD2-CB 4.43Å; W168-Q179 HydrophobicContact CE3-CB 3.73Å; W168-Q179 HydrophobicContact CZ3-CB 4.45Å; W168-Q179 WeakPolarHBondContact CZ3-O 3.5Å; W168-R181 HydrophobicContact CD2-CB 4.02Å; W168-R181 HydrophobicContact CD2-CG 4Å; W168-R181 VanDerWaalsContact CE2-CD 3.44Å; W168-R181 HydrophobicContact CE3-CB 3.84Å; W168-R181 HydrophobicContact CE3-CG 3.82Å; W168-R181 HydrophobicContact CH2-CG 3.68Å; W168-R181 VanDerWaalsContact CZ2-CD 3.42Å; W168-R181 HydrophobicContact CZ2-CG 3.84Å; W168-R181 VanDerWaalsContact CZ2-CZ 3.48Å; W168-R181 HydrophobicContact CZ3-CB 4.15Å; W168-R181 HydrophobicContact CZ3-CG 3.65Å; W168-E204 HydrophobicContact CH2-CB 4.17Å; W168-E204 HydrophobicContact CH2-CG 3.91Å; W168-E204 WeakPolarHBondContact CZ3-O 3.48Å; W168-R206 VanDerWaalsContact CD1-CZ 3.48Å; W168-R206 VanDerWaalsContact CD1-NH2 3.3Å; W168-R206 HydrophobicContact CD2-CG 4.36Å; W168-R206 VanDerWaalsContact CE2-CZ 3.45Å; W168-R206 HydrophobicContact CE3-CG 3.89Å; W168-R206 HydrophobicContact CH2-CB 3.87Å; W168-R206 HydrophobicContact CH2-CG 3.66Å; W168-R206 HydrophobicContact CZ2-CG 4.16Å; W168-R206 HydrophobicContact CZ3-CB 4.03Å; W168-R206 HydrophobicContact CZ3-CG 3.52Å |
| 169 | S | 80.9 | Confident | 77.6 | Confident | 48 Ų | 48 | 79 Ų | 79 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 162.6 | 171.2 | 72.4 | 0 | 0 | 0 | 0 | 111.2 | Q167 Q179 K180 | Q167-S169 PolarHBondContact O-N 3.11Å; S169-Q179 VanDerWaalsContact O-CG 3.24Å; S169-Q179 WeakPolarHBondContact O-CG 3.49Å; S169-Q179 PolarHBondContact O-NE2 3.07Å; S169-Q179 WeakPolarHBondContact OG-CA 3.45Å; S169-K180 WeakPolarHBondContact CB-O 3.34Å; S169-K180 PolarHBondContact N-O 2.99Å; S169-K180 PolarHBondContact OG-N 2.94Å; S169-K180 PolarHBondContact OG-O 3.46Å |
| 170 | S | 79.1 | Confident | 77.7 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 152 | 163.4 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | E172 | S170-E172 PolarHBondContact O-N 3.31Š|
| 171 | C | 76.5 | Confident | 77.9 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 29% | 0.291 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -68 | 124.3 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | T173 Q179 C208 | C171-T173 PolarHBondContact O-N 3.42Å; C171-Q179 HydrophobicContact CB-CG 4.35Å; C171-C208 WeakPolarHBondContact CA-SG 3.41Å; C171-C208 HydrophobicContact CB-CB 3.87Å; C171-C208 WeakPolarHBondContact CB-SG 3.23Å; C171-C208 WeakPolarHBondContact SG-CB 2.97Å; C171-C208 CovalentContact SG-SG 2.03Å; C171-C208 PolarHBondContact SG-SG 2.9Å |
| 172 | E | 74.4 | Confident | 78.2 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | trans | -76.1 | 103 | 179.3 | -170.1 | 166.1 | -163.3 | 0 | 0 | 110.1 | S170 A174 L177 T178 | S170-E172 PolarHBondContact O-N 3.31Å; E172-A174 PolarHBondContact O-N 3.12Å; E172-L177 VanDerWaalsContact O-CA 3.28Å; E172-L177 WeakPolarHBondContact O-CA 3.33Å; E172-L177 PolarHBondContact O-N 3.38Å; E172-T178 PolarHBondContact N-O 3.47Å; E172-T178 VanDerWaalsContact N-O 3.09Å | ||
| 173 | T | 64 | Low | 78.3 | Confident | 125 Ų | 125 | 81 Ų | 81 | 77% | 0.767 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.1 | -176.1 | -37.1 | 0 | 0 | 0 | 0 | 113.4 | C171 G175 | C171-T173 PolarHBondContact O-N 3.42Å; T173-G175 PolarHBondContact O-N 2.85Å |
| 174 | A | 63.1 | Low | 78.3 | Confident | 83 Ų | 83 | 83 Ų | 83 | 69% | 0.686 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 87.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E172 | E172-A174 PolarHBondContact O-N 3.12Š|
| 175 | G | 60.5 | Low | 78.2 | Confident | 71 Ų | 71 | 76 Ų | 76 | 73% | 0.732 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.2 | -91.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.9 | T173 | T173-G175 PolarHBondContact O-N 2.85Š|
| 176 | T | 65.5 | Low | 78.1 | Confident | 97 Ų | 97 | 75 Ų | 75 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.6 | -164.1 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | T178 | T176-T178 PolarHBondContact O-N 3.4Å; T176-T178 PolarHBondContact OG1-OG1 3.24Å |
| 177 | L | 71.2 | Confident | 78 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | trans | 48.1 | 60.5 | -176.6 | -66.3 | 170.8 | 0 | 0 | 0 | 111.5 | E172 E207 C208 | E172-L177 VanDerWaalsContact O-CA 3.28Å; E172-L177 WeakPolarHBondContact O-CA 3.33Å; E172-L177 PolarHBondContact O-N 3.38Å; L177-E207 CarbonylContact O-C 3.56Å; L177-E207 WeakPolarHBondContact O-CA 3.28Å; L177-C208 PolarHBondContact O-N 3.21Å; L177-C208 PolarHBondContact O-SG 2.93Å | ||
| 178 | T | 79.5 | Confident | 77.9 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 10% | 0.104 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.9 | -179 | 46 | 0 | 0 | 0 | 0 | 112.3 | E172 T176 V205 R206 E207 C208 | E172-T178 PolarHBondContact N-O 3.47Å; E172-T178 VanDerWaalsContact N-O 3.09Å; T176-T178 PolarHBondContact O-N 3.4Å; T176-T178 PolarHBondContact OG1-OG1 3.24Å; T178-V205 HydrophobicContact CG2-CG1 3.94Å; T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.27Å; T178-R206 WeakPolarHBondContact CA-O 3.06Å; T178-E207 HydrophobicContact CG2-CG 4.41Å; T178-C208 VanDerWaalsContact C-SG 3.52Å |
| 179 | Q | 80.5 | Confident | 77.7 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 16% | 0.159 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 144.5 | 164.4 | -67.1 | 179.7 | -29.1 | 0 | 0 | 109.1 | W168 S169 C171 V205 R206 C208 | W168-Q179 HydrophobicContact CB-CB 4.33Å; W168-Q179 HydrophobicContact CD2-CB 4.43Å; W168-Q179 HydrophobicContact CE3-CB 3.73Å; W168-Q179 HydrophobicContact CZ3-CB 4.45Å; W168-Q179 WeakPolarHBondContact CZ3-O 3.5Å; S169-Q179 VanDerWaalsContact O-CG 3.24Å; S169-Q179 WeakPolarHBondContact O-CG 3.49Å; S169-Q179 PolarHBondContact O-NE2 3.07Å; S169-Q179 WeakPolarHBondContact OG-CA 3.45Å; C171-Q179 HydrophobicContact CB-CG 4.35Å; Q179-V205 WeakPolarHBondContact O-CA 3.23Å; Q179-R206 HydrophobicContact CB-CG 4.1Å; Q179-R206 PolarHBondContact N-O 3.34Å; Q179-R206 PolarHBondContact O-N 3.48Å; Q179-R206 VanDerWaalsContact OE1-CZ 3.27Å; Q179-C208 HydrophobicContact CG-CB 3.92Å |
| 180 | K | 86.7 | Confident | 77.6 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 44% | 0.443 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.4 | 175.6 | -57.4 | -176.5 | -178.1 | 166.4 | 0 | 109.1 | S169 V203 E204 V205 | S169-K180 WeakPolarHBondContact CB-O 3.34Å; S169-K180 PolarHBondContact N-O 2.99Å; S169-K180 PolarHBondContact OG-N 2.94Å; S169-K180 PolarHBondContact OG-O 3.46Å; K180-V203 HydrophobicContact CB-CG1 4.33Å; K180-E204 WeakPolarHBondContact CA-O 3.48Å; K180-V205 HydrophobicContact CD-CG2 4.49Å; K180-V205 HydrophobicContact CG-CG1 4.31Å; K180-V205 HydrophobicContact CG-CG2 4.11Å |
| 181 | R | 85.7 | Confident | 77.5 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 22% | 0.223 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.7 | 162.7 | 65 | 175.8 | 179.9 | -172.9 | -4.7 | 108.3 | W165 W168 V203 E204 | W165-R181 HydrophobicContact CD2-CG 4.34Å; W165-R181 HydrophobicContact CE3-CB 4.36Å; W165-R181 HydrophobicContact CE3-CG 3.67Å; W165-R181 HydrophobicContact CZ3-CG 4.1Å; W168-R181 HydrophobicContact CD2-CB 4.02Å; W168-R181 HydrophobicContact CD2-CG 4Å; W168-R181 VanDerWaalsContact CE2-CD 3.44Å; W168-R181 HydrophobicContact CE3-CB 3.84Å; W168-R181 HydrophobicContact CE3-CG 3.82Å; W168-R181 HydrophobicContact CH2-CG 3.68Å; W168-R181 VanDerWaalsContact CZ2-CD 3.42Å; W168-R181 HydrophobicContact CZ2-CG 3.84Å; W168-R181 VanDerWaalsContact CZ2-CZ 3.48Å; W168-R181 HydrophobicContact CZ3-CB 4.15Å; W168-R181 HydrophobicContact CZ3-CG 3.65Å; R181-V203 WeakPolarHBondContact O-CA 2.98Å; R181-E204 HydrophobicContact CG-CB 3.95Å; R181-E204 IonicContact CZ-OE2 2.63Å; R181-E204 PolarHBondContact N-O 2.85Å; R181-E204 IonicContact NE-OE2 3.78Å; R181-E204 PolarHBondContact NE-OE2 3.41Å; R181-E204 IonicContact NH2-OE1 3.08Å; R181-E204 PolarHBondContact NH2-OE1 3.34Å; R181-E204 IonicContact NH2-OE2 2.77Å; R181-E204 PolarHBondContact NH2-OE2 2.89Å; R181-E204 PolarHBondContact O-N 3.05Å |
| 182 | N | 88.9 | Confident | 77.5 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.1 | -178.9 | 57.8 | -0.5 | 0 | 0 | 0 | 110.1 | S166 D202 V203 | S166-N182 WeakPolarHBondContact CB-O 3.14Å; S166-N182 WeakPolarHBondContact CB-OD1 3.49Å; S166-N182 PolarHBondContact N-O 2.8Å; S166-N182 PolarHBondContact OG-N 2.89Å; S166-N182 PolarHBondContact OG-O 3.22Å; S166-N182 PolarHBondContact OG-OD1 2.8Å; N182-D202 WeakPolarHBondContact CA-O 3.42Å; N182-V203 HydrophobicContact CB-CG2 4.25Å |
| 183 | R | 86.7 | Confident | 77.4 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 28% | 0.279 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.8 | 167 | 64 | 179.9 | 176.1 | -177.7 | -1.1 | 109.8 | W165 D202 | W165-R183 HydrophobicContact CD2-CB 4.15Å; W165-R183 HydrophobicContact CD2-CG 4.11Å; W165-R183 HydrophobicContact CE3-CB 3.92Å; W165-R183 HydrophobicContact CE3-CG 3.94Å; W165-R183 HydrophobicContact CH2-CG 4.03Å; W165-R183 HydrophobicContact CZ2-CG 4.18Å; W165-R183 HydrophobicContact CZ3-CB 4.3Å; W165-R183 HydrophobicContact CZ3-CG 3.91Å; R183-D202 HydrophobicContact CG-CB 4.01Å; R183-D202 IonicContact CZ-OD2 2.68Å; R183-D202 PolarHBondContact N-O 3.48Å; R183-D202 VanDerWaalsContact N-O 3.15Å; R183-D202 IonicContact NE-OD2 3.33Å; R183-D202 PolarHBondContact NE-OD2 2.9Å; R183-D202 IonicContact NH2-OD2 2.65Å; R183-D202 PolarHBondContact NH2-OD2 3.46Å |
| 184 | T | 84.4 | Confident | 77.9 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | trans | -77.1 | 130.7 | 176.8 | -46.2 | 0 | 0 | 0 | 0 | 109.3 | T162 S163 | T162-T184 PolarHBondContact N-O 2.81Å; T162-T184 PolarHBondContact OG1-O 2.9Å; S163-T184 PolarHBondContact N-O 3.48Å; S163-T184 PolarHBondContact OG-N 3.43Å | ||
| 185 | V | 84.9 | Confident | 78.1 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | C159 Q160 C199 D202 | C159-V185 HydrophobicContact CB-CG1 3.85Å; Q160-V185 WeakPolarHBondContact O-CG1 3.44Å; V185-C199 HydrophobicContact CG1-CB 4.27Å; V185-D202 HydrophobicContact CG2-CB 3.43Å; V185-D202 VanDerWaalsContact CG2-CB 3.43Å |
| 186 | V | 82.9 | Confident | 78.2 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148.5 | 168.8 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | Q160 T162 F188 | Q160-V186 PolarHBondContact N-O 2.9Å; Q160-V186 PolarHBondContact O-N 2.85Å; T162-V186 HydrophobicContact CG2-CB 3.97Å; T162-V186 HydrophobicContact CG2-CG1 3.54Å; T162-V186 HydrophobicContact CG2-CG2 3.32Å; V186-F188 HydrophobicContact CG2-CD2 4.37Å; V186-F188 HydrophobicContact CG2-CE1 4.39Å; V186-F188 HydrophobicContact CG2-CE2 3.62Å; V186-F188 HydrophobicContact CG2-CZ 3.62Å |
| 187 | S | 80.2 | Confident | 78.2 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.1 | 178.2 | 65.7 | 0 | 0 | 0 | 0 | 109.4 | C199 | S187-C199 WeakPolarHBondContact CB-SG 3.07Å |
| 188 | F | 80 | Confident | 78.1 | Confident | 104 Ų | 104 | 76.5 Ų | 76.5 | 46% | 0.456 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125 | 169.7 | -60.4 | -77 | 0 | 0 | 0 | 108.7 | Y157 D158 Q160 V186 T190 | Y157-F188 CarbonylContact C-O 3.54Å; Y157-F188 VanDerWaalsContact CA-O 3.26Å; Y157-F188 WeakPolarHBondContact CA-O 3.29Å; D158-F188 HydrophobicContact CB-CB 4.46Å; D158-F188 PolarHBondContact N-O 2.77Å; D158-F188 PolarHBondContact O-N 2.95Å; Q160-F188 HydrophobicContact CB-CD2 4.49Å; Q160-F188 HydrophobicContact CB-CE2 4.02Å; Q160-F188 HydrophobicContact CG-CD2 4.21Å; Q160-F188 HydrophobicContact CG-CE2 4.09Å; V186-F188 HydrophobicContact CG2-CD2 4.37Å; V186-F188 HydrophobicContact CG2-CE1 4.39Å; V186-F188 HydrophobicContact CG2-CE2 3.62Å; V186-F188 HydrophobicContact CG2-CZ 3.62Å; F188-T190 PolarHBondContact O-N 2.84Å |
| 189 | L | 77.1 | Confident | 78 | Confident | 114 Ų | 114 | 76.8 Ų | 76.8 | 60% | 0.597 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 127 | 175.8 | -174.6 | 70.3 | 0 | 0 | 0 | 109.6 | C155 Y157 | C155-L189 HydrophobicContact CB-CD1 3.58Å; C155-L189 HydrophobicContact CB-CG 4.45Å; Y157-L189 HydrophobicContact CD1-CB 4.47Å; Y157-L189 HydrophobicContact CD1-CD1 4.43Å; Y157-L189 HydrophobicContact CE1-CB 4.22Å; Y157-L189 HydrophobicContact CE1-CD1 3.89Å; Y157-L189 HydrophobicContact CE2-CD1 4.07Å |
| 190 | T | 77.5 | Confident | 77.9 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 165.5 | 174.9 | 77.1 | 0 | 0 | 0 | 0 | 111.1 | C155 A156 D158 F188 L192 | C155-T190 WeakPolarHBondContact CB-O 3.4Å; A156-T190 WeakPolarHBondContact CB-OG1 3.22Å; A156-T190 WeakPolarHBondContact O-CB 3.31Å; A156-T190 PolarHBondContact O-N 2.75Å; A156-T190 PolarHBondContact O-OG1 3.45Å; D158-T190 HydrophobicContact CB-CG2 3.88Å; F188-T190 PolarHBondContact O-N 2.84Å; T190-L192 PolarHBondContact O-N 3.02Å; T190-L192 PolarHBondContact OG1-N 2.03Å |
| 191 | Q | 76.7 | Confident | 77.7 | Confident | 163 Ų | 163 | 82 Ų | 82 | 76% | 0.762 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 12.8 | 174 | -65.8 | -176 | -1.2 | 0 | 0 | 113 | P113 | P113-Q191 WeakPolarHBondContact CB-O 2.97Å; P113-Q191 HydrophobicContact CG-CB 3.99Å; P113-Q191 VanDerWaalsContact CG-O 3.31Å; P113-Q191 WeakPolarHBondContact CG-O 3.25Å |
| 192 | L | 77 | Confident | 77.7 | Confident | 118 Ų | 118 | 81.5 Ų | 81.5 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.9 | -177.6 | -66 | 169.7 | 0 | 0 | 0 | 110.3 | C155 A156 T190 | C155-L192 CarbonylContact C-O 3.57Å; C155-L192 WeakPolarHBondContact CA-O 3.39Å; A156-L192 HydrophobicContact CB-CB 4.4Å; A156-L192 PolarHBondContact N-O 2.86Å; T190-L192 PolarHBondContact O-N 3.02Å; T190-L192 PolarHBondContact OG1-N 2.03Å |
| 193 | P | 73.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137 | 169.8 | -17.8 | 30 | 0 | 0 | 0 | 110.9 | ||
| 194 | G | 74.1 | Confident | 77.7 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 47% | 0.472 | C | S | . | . | trans | -178 | 145.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P154 C155 N196 | P154-G194 CarbonylContact C-O 3.49Å; P154-G194 PolarHBondContact O-N 3.3Å; C155-G194 CarbonylContact C-O 3.57Å; C155-G194 VanDerWaalsContact C-O 3.27Å; G194-N196 VanDerWaalsContact C-N 3.31Å; G194-N196 PolarHBondContact O-N 3.3Å | ||
| 195 | A | 66.9 | Low | 77.8 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 71% | 0.711 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -79.6 | -2.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A197 | A195-A197 PolarHBondContact O-N 2.97Š|
| 196 | N | 62.5 | Low | 77.6 | Confident | 94 Ų | 94 | 83.5 Ų | 83.5 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -84.6 | 83.9 | -172.6 | -71 | 3.1 | 0 | 0 | 0 | 110.4 | Y157 G194 T198 | Y157-N196 WeakPolarHBondContact CD2-O 3.38Å; G194-N196 VanDerWaalsContact C-N 3.31Å; G194-N196 PolarHBondContact O-N 3.3Å; N196-T198 PolarHBondContact O-N 3.35Å; N196-T198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | A | 64.4 | Low | 77.3 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -56.9 | -24.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A195 | A195-A197 PolarHBondContact O-N 2.97Š|
| 198 | T | 70.9 | Confident | 76.9 | Confident | 110 Ų | 110 | 84 Ų | 84 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -144.5 | 148 | 176.4 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | N196 | N196-T198 PolarHBondContact O-N 3.35Å; N196-T198 VanDerWaalsContact O-N 3.1Å |
| 199 | C | 75.8 | Confident | 75.9 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 16% | 0.155 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 133.3 | 168.6 | -68.9 | 0 | 0 | 0 | 0 | 109.1 | C159 V185 S187 | C159-C199 VanDerWaalsContact CA-SG 3.52Å; C159-C199 HydrophobicContact CB-CB 3.97Å; C159-C199 WeakPolarHBondContact CB-SG 3.01Å; C159-C199 VanDerWaalsContact SG-CA 3.59Å; C159-C199 WeakPolarHBondContact SG-CB 3.35Å; C159-C199 CovalentContact SG-SG 2.04Å; C159-C199 PolarHBondContact SG-SG 3.16Å; V185-C199 HydrophobicContact CG1-CB 4.27Å; S187-C199 WeakPolarHBondContact CB-SG 3.07Å |
| 200 | P | 79.7 | Confident | 74.6 | Confident | 96 Ų | 96 | 84 Ų | 84 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 149.7 | 172 | 26.9 | -32.6 | 0 | 0 | 0 | 110.3 | D202 | P200-D202 PolarHBondContact O-N 2.8Š|
| 201 | D | 81.9 | Confident | 73 | Confident | 151 Ų | 151 | 87.6 Ų | 87.6 | 81% | 0.807 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 126.1 | 172.2 | -68.6 | -44.4 | 0 | 0 | 0 | 109.6 | V203 | D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 2.87Å; D201-V203 VanDerWaalsContact O-N 3.1Å |
| 202 | D | 86.4 | Confident | 71.5 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 92.9 | 179.9 | -161.4 | -4.3 | 0 | 0 | 0 | 109.7 | W165 N182 R183 V185 P200 | W165-D202 WeakPolarHBondContact CH2-OD1 3.47Å; W165-D202 WeakPolarHBondContact CZ3-O 3.46Å; N182-D202 WeakPolarHBondContact CA-O 3.42Å; R183-D202 HydrophobicContact CG-CB 4.01Å; R183-D202 IonicContact CZ-OD2 2.68Å; R183-D202 PolarHBondContact N-O 3.48Å; R183-D202 VanDerWaalsContact N-O 3.15Å; R183-D202 IonicContact NE-OD2 3.33Å; R183-D202 PolarHBondContact NE-OD2 2.9Å; R183-D202 IonicContact NH2-OD2 2.65Å; R183-D202 PolarHBondContact NH2-OD2 3.46Å; V185-D202 HydrophobicContact CG2-CB 3.43Å; V185-D202 VanDerWaalsContact CG2-CB 3.43Å; P200-D202 PolarHBondContact O-N 2.8Å |
| 203 | V | 88.1 | Confident | 70.4 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.4 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | K180 R181 N182 D201 V205 | K180-V203 HydrophobicContact CB-CG1 4.33Å; R181-V203 WeakPolarHBondContact O-CA 2.98Å; N182-V203 HydrophobicContact CB-CG2 4.25Å; D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 2.87Å; D201-V203 VanDerWaalsContact O-N 3.1Å; V203-V205 HydrophobicContact CG1-CG2 4.26Å |
| 204 | E | 87.5 | Confident | 69.2 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 35% | 0.346 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.8 | 170.9 | -166 | -177.4 | 159.3 | 0 | 0 | 109.4 | W165 W168 K180 R181 | W165-E204 HydrophobicContact CH2-CB 3.97Å; W165-E204 HydrophobicContact CZ3-CB 4.05Å; W168-E204 HydrophobicContact CH2-CB 4.17Å; W168-E204 HydrophobicContact CH2-CG 3.91Å; W168-E204 WeakPolarHBondContact CZ3-O 3.48Å; K180-E204 WeakPolarHBondContact CA-O 3.48Å; R181-E204 HydrophobicContact CG-CB 3.95Å; R181-E204 IonicContact CZ-OE2 2.63Å; R181-E204 PolarHBondContact N-O 2.85Å; R181-E204 IonicContact NE-OE2 3.78Å; R181-E204 PolarHBondContact NE-OE2 3.41Å; R181-E204 IonicContact NH2-OE1 3.08Å; R181-E204 PolarHBondContact NH2-OE1 3.34Å; R181-E204 IonicContact NH2-OE2 2.77Å; R181-E204 PolarHBondContact NH2-OE2 2.89Å; R181-E204 PolarHBondContact O-N 3.05Å |
| 205 | V | 85.6 | Confident | 68 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.1 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | T178 Q179 K180 V203 | T178-V205 HydrophobicContact CG2-CG1 3.94Å; Q179-V205 WeakPolarHBondContact O-CA 3.23Å; K180-V205 HydrophobicContact CD-CG2 4.49Å; K180-V205 HydrophobicContact CG-CG1 4.31Å; K180-V205 HydrophobicContact CG-CG2 4.11Å; V203-V205 HydrophobicContact CG1-CG2 4.26Å |
| 206 | R | 81.3 | Confident | 67.4 | Low | 109 Ų | 109 | 91.7 Ų | 91.7 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.5 | 171.8 | 74.2 | 179.1 | 180 | -177.6 | 1.6 | 110.8 | W168 T178 Q179 | W168-R206 VanDerWaalsContact CD1-CZ 3.48Å; W168-R206 VanDerWaalsContact CD1-NH2 3.3Å; W168-R206 HydrophobicContact CD2-CG 4.36Å; W168-R206 VanDerWaalsContact CE2-CZ 3.45Å; W168-R206 HydrophobicContact CE3-CG 3.89Å; W168-R206 HydrophobicContact CH2-CB 3.87Å; W168-R206 HydrophobicContact CH2-CG 3.66Å; W168-R206 HydrophobicContact CZ2-CG 4.16Å; W168-R206 HydrophobicContact CZ3-CB 4.03Å; W168-R206 HydrophobicContact CZ3-CG 3.52Å; T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.27Å; T178-R206 WeakPolarHBondContact CA-O 3.06Å; Q179-R206 HydrophobicContact CB-CG 4.1Å; Q179-R206 PolarHBondContact N-O 3.34Å; Q179-R206 PolarHBondContact O-N 3.48Å; Q179-R206 VanDerWaalsContact OE1-CZ 3.27Å |
| 207 | E | 76 | Confident | 67.1 | Low | 102 Ų | 102 | 89.4 Ų | 89.4 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.9 | 169.3 | -62.7 | 179.4 | 178 | 0 | 0 | 109.3 | L177 T178 L209 G255 | L177-E207 CarbonylContact O-C 3.56Å; L177-E207 WeakPolarHBondContact O-CA 3.28Å; T178-E207 HydrophobicContact CG2-CG 4.41Å; E207-L209 HydrophobicContact CB-CB 4.38Å; E207-L209 PolarHBondContact O-N 3.44Å; E207-G255 PolarHBondContact OE2-N 3.46Å |
| 208 | C | 71.5 | Confident | 67.4 | Low | 22 Ų | 22 | 94.9 Ų | 94.9 | 15% | 0.149 | 54% | 0.537 | C | S | . | . | trans | -88.9 | 57.2 | 167.7 | 35.6 | 0 | 0 | 0 | 0 | 108.9 | C171 L177 T178 Q179 N210 | C171-C208 WeakPolarHBondContact CA-SG 3.41Å; C171-C208 HydrophobicContact CB-CB 3.87Å; C171-C208 WeakPolarHBondContact CB-SG 3.23Å; C171-C208 WeakPolarHBondContact SG-CB 2.97Å; C171-C208 CovalentContact SG-SG 2.03Å; C171-C208 PolarHBondContact SG-SG 2.9Å; L177-C208 PolarHBondContact O-N 3.21Å; L177-C208 PolarHBondContact O-SG 2.93Å; T178-C208 VanDerWaalsContact C-SG 3.52Å; Q179-C208 HydrophobicContact CG-CB 3.92Å; C208-N210 PolarHBondContact O-N 3.25Å | ||
| 209 | L | 60.8 | Low | 67.3 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | trans | -78.4 | 77.7 | -177.9 | -143.5 | 138.2 | 0 | 0 | 0 | 110.2 | E207 V211 P254 | E207-L209 HydrophobicContact CB-CB 4.38Å; E207-L209 PolarHBondContact O-N 3.44Å; L209-V211 PolarHBondContact O-N 3.37Å; L209-P254 HydrophobicContact CD1-CB 3.75Å | ||
| 210 | N | 48.7 | Very low | 67.3 | Low | 144 Ų | 144 | 96.1 Ų | 96.1 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | trans | -79 | 98.5 | 151.6 | -79.4 | -24.1 | 0 | 0 | 0 | 107.4 | C208 | C208-N210 PolarHBondContact O-N 3.25Š| ||
| 211 | V | 43.6 | Very low | 67.6 | Low | 109 Ų | 109 | 94.8 Ų | 94.8 | 66% | 0.661 | 52% | 0.523 | S | S | * | . | trans | 60.8 | 110.5 | 150.6 | -168.6 | 0 | 0 | 0 | 0 | 116 | L209 | L209-V211 PolarHBondContact O-N 3.37Š| ||
| 212 | M | 45.1 | Very low | 67.9 | Low | 74 Ų | 74 | 88.6 Ų | 88.6 | 37% | 0.365 | 49% | 0.491 | S | S | . | . | trans | -44.2 | 146 | 163.9 | -72.6 | -164.2 | -86.4 | 0 | 0 | 111.6 | N214 G215 G217 | M212-N214 CarbonylContact O-C 3.56Å; M212-N214 PolarHBondContact O-N 2.7Å; M212-G215 PolarHBondContact O-N 3.08Å; M212-G217 WeakPolarHBondContact CE-O 3.38Å | ||
| 213 | P | 54.7 | Low | 68 | Low | 134 Ų | 134 | 92.5 Ų | 92.5 | 87% | 0.87 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -62.2 | -7 | -177 | 21.5 | -30.9 | 0 | 0 | 0 | 115.2 | ||
| 214 | N | 47.3 | Very low | 68.2 | Low | 154 Ų | 154 | 91.3 Ų | 91.3 | 82% | 0.824 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -134.2 | 81.8 | 162.5 | -86.5 | -31 | 0 | 0 | 0 | 108.7 | M212 | M212-N214 CarbonylContact O-C 3.56Å; M212-N214 PolarHBondContact O-N 2.7Å |
| 215 | G | 48.7 | Very low | 68.4 | Low | 38 Ų | 38 | 91 Ų | 91 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | trans | -57.6 | 133.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M212 | M212-G215 PolarHBondContact O-N 3.08Š| ||
| 216 | T | 54.2 | Low | 68.8 | Low | 155 Ų | 155 | 96 Ų | 96 | 95% | 0.951 | 51% | 0.513 | S | S | * | . | trans | 148.9 | 4.9 | 154.9 | 48.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 217 | G | 57.7 | Low | 69.4 | Low | 47 Ų | 47 | 94.2 Ų | 94.2 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 136.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M212 | M212-G217 WeakPolarHBondContact CE-O 3.38Š|
| 218 | K | 70.8 | Confident | 70.3 | Confident | 183 Ų | 183 | 93.7 Ų | 93.7 | 80% | 0.796 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 140.8 | 163.5 | -175.8 | -179.6 | 179 | -177.8 | 0 | 109.3 | K220 | K218-K220 PolarHBondContact O-N 3.39Š|
| 219 | P | 68.1 | Low | 71.4 | Confident | 47 Ų | 47 | 101.5 Ų | 101.5 | 31% | 0.305 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 131 | 174 | -25.2 | 33 | 0 | 0 | 0 | 110.7 | ||
| 220 | K | 76.7 | Confident | 73 | Confident | 112 Ų | 112 | 101.2 Ų | 101.2 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 123.3 | 176.9 | -62.8 | 173.6 | -179.5 | 171 | 0 | 109.2 | K218 D253 | K218-K220 PolarHBondContact O-N 3.39Å; K220-D253 VanDerWaalsContact CB-OD2 3.23Å; K220-D253 WeakPolarHBondContact CB-OD2 3.44Å; K220-D253 WeakPolarHBondContact CG-OD2 3.43Å; K220-D253 PolarHBondContact N-OD2 3.02Å; K220-D253 PolarHBondContact O-N 3.15Å |
| 221 | D | 85.8 | Confident | 75 | Confident | 68 Ų | 68 | 96.8 Ų | 96.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 160.9 | 173.9 | -63.5 | -20.2 | 0 | 0 | 0 | 111.4 | K223 G256 K257 | D221-K223 PolarHBondContact O-N 2.76Å; D221-G256 WeakPolarHBondContact OD1-CA 3.4Å; D221-K257 HydrophobicContact CB-CB 4.04Å; D221-K257 PolarHBondContact OD1-N 3.31Å |
| 222 | C | 87.4 | Confident | 77.2 | Confident | 20 Ų | 20 | 96.2 Ų | 96.2 | 14% | 0.135 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 137.7 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | R250 P252 K257 C259 | C222-R250 WeakPolarHBondContact CA-O 3.3Å; C222-P252 HydrophobicContact CB-CB 4.37Å; C222-K257 WeakPolarHBondContact CB-O 3.37Å; C222-K257 PolarHBondContact N-O 2.91Å; C222-C259 HydrophobicContact CB-CB 3.88Å; C222-C259 WeakPolarHBondContact CB-SG 3.11Å; C222-C259 WeakPolarHBondContact SG-CA 3.2Å; C222-C259 WeakPolarHBondContact SG-CB 3.21Å; C222-C259 CovalentContact SG-SG 2.01Å; C222-C259 PolarHBondContact SG-SG 2.9Å |
| 223 | K | 89.1 | Confident | 79.3 | Confident | 131 Ų | 131 | 95.8 Ų | 95.8 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | 175.3 | -170.4 | -177.6 | 176.5 | -173.9 | 0 | 110.2 | D221 S249 R250 | D221-K223 PolarHBondContact O-N 2.76Å; K223-S249 WeakPolarHBondContact O-CA 3.4Å; K223-S249 WeakPolarHBondContact O-CB 3.36Å; K223-S249 PolarHBondContact O-N 2.91Å; K223-R250 HydrophobicContact CB-CB 3.98Å; K223-R250 PolarHBondContact N-O 3.43Å; K223-R250 PolarHBondContact O-N 3.35Å |
| 224 | Y | 92 | Very high | 80.7 | Confident | 41 Ų | 41 | 94.9 Ų | 94.9 | 16% | 0.161 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 152.6 | 173.6 | -56.5 | -86.6 | 0 | 0 | 0 | 111.7 | R246 E260 L263 L264 | Y224-R246 HydrophobicContact CD1-CG 4.39Å; Y224-E260 WeakPolarHBondContact OH-CA 3.07Å; Y224-E260 PolarHBondContact OH-N 3.19Å; Y224-E260 PolarHBondContact OH-O 2.02Å; Y224-L263 HydrophobicContact CE1-CB 4.05Å; Y224-L263 HydrophobicContact CE2-CB 4.26Å; Y224-L263 HydrophobicContact CE2-CD1 4.02Å; Y224-L263 WeakPolarHBondContact OH-CB 3.43Å; Y224-L264 HydrophobicContact CD1-CD2 3.83Å; Y224-L264 HydrophobicContact CE1-CD2 3.73Å; Y224-L264 HydrophobicContact CE1-CG 4.3Å |
| 225 | D | 92.3 | Very high | 82.3 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 173.2 | 168.3 | -78.2 | -40.8 | 0 | 0 | 0 | 111.3 | K247 S249 | D225-K247 PolarHBondContact N-O 2.91Å; D225-S249 WeakPolarHBondContact OD1-CA 3.4Å; D225-S249 WeakPolarHBondContact OD1-CB 3.34Å; D225-S249 PolarHBondContact OD1-OG 3.43Å |
| 226 | Q | 93.6 | Very high | 83.5 | Confident | 183 Ų | 183 | 91 Ų | 91 | 86% | 0.855 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 151.3 | 166.9 | -67.2 | -171 | -12.5 | 0 | 0 | 110.4 | ||
| 227 | W | 94.4 | Very high | 84.5 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.5 | 173.6 | -74.9 | 104.5 | 0 | 0 | 0 | 111 | R244 S245 R246 L263 Q266 | W227-R244 HydrophobicContact CD2-CG 4.07Å; W227-R244 HydrophobicContact CE3-CB 4.08Å; W227-R244 HydrophobicContact CE3-CG 3.49Å; W227-R244 VanDerWaalsContact CE3-CG 3.49Å; W227-R244 HydrophobicContact CZ3-CG 3.88Å; W227-R244 WeakPolarHBondContact CZ3-O 3.47Å; W227-S245 VanDerWaalsContact CE3-C 3.47Å; W227-R246 HydrophobicContact CD2-CB 4.11Å; W227-R246 HydrophobicContact CD2-CG 4.1Å; W227-R246 HydrophobicContact CE3-CB 3.81Å; W227-R246 HydrophobicContact CE3-CG 3.87Å; W227-R246 HydrophobicContact CH2-CG 4Å; W227-R246 HydrophobicContact CZ2-CG 4.21Å; W227-R246 HydrophobicContact CZ3-CB 4.18Å; W227-R246 HydrophobicContact CZ3-CG 3.82Å; W227-L263 WeakPolarHBondContact CH2-O 3.45Å; W227-Q266 HydrophobicContact CH2-CB 3.83Å; W227-Q266 HydrophobicContact CZ2-CB 4.36Å; W227-Q266 HydrophobicContact CZ3-CB 4.19Å |
| 228 | E | 94.2 | Very high | 85 | Confident | 91 Ų | 91 | 91 Ų | 91 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 160.9 | 165.5 | -66.6 | 173.4 | 166.6 | 0 | 0 | 110.1 | S245 | E228-S245 VanDerWaalsContact CB-O 3.3Å; E228-S245 WeakPolarHBondContact CB-O 3.47Å; E228-S245 WeakPolarHBondContact CG-O 3.02Å; E228-S245 PolarHBondContact N-O 3.21Å; E228-S245 PolarHBondContact OE2-OG 2.82Å |
| 229 | Q | 94.4 | Very high | 85.2 | Confident | 187 Ų | 187 | 88.2 Ų | 88.2 | 87% | 0.874 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 145.6 | 175.7 | -64.6 | -173.3 | 24.1 | 0 | 0 | 110.3 | T231 | Q229-T231 PolarHBondContact O-N 3.16Š|
| 230 | W | 93.4 | Very high | 85.8 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 25% | 0.254 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 137.5 | 173.2 | -74.1 | 105 | 0 | 0 | 0 | 110.6 | R242 Y243 R244 Q266 E268 | W230-R242 HydrophobicContact CD2-CG 4.09Å; W230-R242 HydrophobicContact CE3-CB 3.98Å; W230-R242 HydrophobicContact CE3-CG 3.54Å; W230-R242 HydrophobicContact CZ3-CG 3.94Å; W230-R242 WeakPolarHBondContact CZ3-O 3.21Å; W230-Y243 WeakPolarHBondContact CA-O 3.46Å; W230-R244 HydrophobicContact CD2-CB 3.96Å; W230-R244 HydrophobicContact CD2-CG 3.95Å; W230-R244 VanDerWaalsContact CE2-CD 3.4Å; W230-R244 HydrophobicContact CE3-CB 3.79Å; W230-R244 HydrophobicContact CE3-CG 3.79Å; W230-R244 HydrophobicContact CH2-CG 3.63Å; W230-R244 HydrophobicContact CZ2-CG 3.8Å; W230-R244 VanDerWaalsContact CZ2-CZ 3.49Å; W230-R244 HydrophobicContact CZ3-CB 4.1Å; W230-R244 HydrophobicContact CZ3-CG 3.62Å; W230-Q266 HydrophobicContact CH2-CB 4.4Å; W230-Q266 HydrophobicContact CH2-CG 4.24Å; W230-E268 HydrophobicContact CH2-CB 3.76Å; W230-E268 HydrophobicContact CZ2-CB 4.34Å; W230-E268 HydrophobicContact CZ3-CB 4.1Å |
| 231 | T | 92.4 | Very high | 86.4 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 31% | 0.307 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 156.3 | 168.5 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | Q229 R242 Y243 | Q229-T231 PolarHBondContact O-N 3.16Å; T231-R242 WeakPolarHBondContact O-CB 3.49Å; T231-Y243 PolarHBondContact N-O 2.8Å; T231-Y243 PolarHBondContact OG1-N 2.93Å; T231-Y243 PolarHBondContact OG1-O 3.36Å |
| 232 | P | 89.6 | Confident | 86.7 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 153.1 | 164.6 | 25 | -33.8 | 0 | 0 | 0 | 110.4 | Q234 | P232-Q234 PolarHBondContact O-N 3.06Š|
| 233 | C | 87.7 | Confident | 87 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 127.3 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | L240 L241 C270 | C233-L240 HydrophobicContact CB-CB 4.3Å; C233-L240 HydrophobicContact CB-CD2 4.41Å; C233-L241 WeakPolarHBondContact CA-O 3.48Å; C233-C270 HydrophobicContact CB-CB 3.96Å; C233-C270 WeakPolarHBondContact CB-SG 2.99Å; C233-C270 WeakPolarHBondContact SG-CB 3.01Å; C233-C270 CovalentContact SG-SG 2.03Å; C233-C270 PolarHBondContact SG-SG 3.42Å |
| 234 | Q | 85.6 | Confident | 87.2 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -128.4 | 152.2 | -178.5 | -65.2 | 176.2 | 29.7 | 0 | 0 | 110.4 | P232 L241 | P232-Q234 PolarHBondContact O-N 3.06Å; Q234-L241 PolarHBondContact N-O 2.73Å; Q234-L241 PolarHBondContact O-N 3.11Å |
| 235 | G | 80.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 84.2 Ų | 84.2 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 111.8 | -174.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | L240 | G235-L240 WeakPolarHBondContact O-CD2 3.31Š|
| 236 | P | 73.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | trans | -71.7 | 149.2 | -179.9 | 30.9 | -34.5 | 0 | 0 | 0 | 110.8 | Y238 K239 L240 | P236-Y238 HydrophobicContact CB-CD1 3.77Å; P236-Y238 HydrophobicContact CB-CE1 3.33Å; P236-Y238 HydrophobicContact CB-CE2 4.29Å; P236-Y238 HydrophobicContact CB-CG 4.42Å; P236-Y238 HydrophobicContact CG-CD1 4.22Å; P236-Y238 HydrophobicContact CG-CD2 4.24Å; P236-Y238 HydrophobicContact CG-CE1 3.67Å; P236-Y238 HydrophobicContact CG-CE2 3.69Å; P236-Y238 HydrophobicContact CG-CG 4.47Å; P236-Y238 PolarHBondContact O-N 3.43Å; P236-K239 CarbonylContact O-C 3.5Å; P236-K239 VanDerWaalsContact O-C 3.25Å; P236-K239 PolarHBondContact O-N 3.48Å; P236-L240 PolarHBondContact O-N 2.91Å | ||
| 237 | C | 74.6 | Confident | 87.1 | Confident | 34 Ų | 34 | 81 Ų | 81 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.6 | -177.8 | -87.6 | 0 | 0 | 0 | 0 | 115.8 | K239 C274 | C237-K239 VanDerWaalsContact C-N 3.33Å; C237-C274 HydrophobicContact CB-CB 3.68Å; C237-C274 WeakPolarHBondContact CB-SG 3.43Å; C237-C274 WeakPolarHBondContact SG-CB 3.06Å; C237-C274 CovalentContact SG-SG 2.05Å; C237-C274 PolarHBondContact SG-SG 3.17Å |
| 238 | Y | 67.9 | Low | 86.9 | Confident | 168 Ų | 168 | 80 Ų | 80 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.7 | 179.8 | 59.4 | -99.4 | 0 | 0 | 0 | 113.7 | P236 | P236-Y238 HydrophobicContact CB-CD1 3.77Å; P236-Y238 HydrophobicContact CB-CE1 3.33Å; P236-Y238 HydrophobicContact CB-CE2 4.29Å; P236-Y238 HydrophobicContact CB-CG 4.42Å; P236-Y238 HydrophobicContact CG-CD1 4.22Å; P236-Y238 HydrophobicContact CG-CD2 4.24Å; P236-Y238 HydrophobicContact CG-CE1 3.67Å; P236-Y238 HydrophobicContact CG-CE2 3.69Å; P236-Y238 HydrophobicContact CG-CG 4.47Å; P236-Y238 PolarHBondContact O-N 3.43Å |
| 239 | K | 75.8 | Confident | 86.6 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 54% | 0.535 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -156 | 61.1 | -178.7 | -164.9 | 179.2 | -177.4 | 179.2 | 0 | 110.4 | P236 C237 L241 | P236-K239 CarbonylContact O-C 3.5Å; P236-K239 VanDerWaalsContact O-C 3.25Å; P236-K239 PolarHBondContact O-N 3.48Å; C237-K239 VanDerWaalsContact C-N 3.33Å; K239-L241 PolarHBondContact O-N 2.95Å |
| 240 | L | 81.5 | Confident | 86.1 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -68.8 | 128.1 | 172.2 | -74.8 | 168.4 | 0 | 0 | 0 | 109.3 | C233 G235 P236 V269 C270 | C233-L240 HydrophobicContact CB-CB 4.3Å; C233-L240 HydrophobicContact CB-CD2 4.41Å; G235-L240 WeakPolarHBondContact O-CD2 3.31Å; P236-L240 PolarHBondContact O-N 2.91Å; L240-V269 CarbonylContact O-C 3.57Å; L240-V269 WeakPolarHBondContact O-CA 3.49Å; L240-C270 HydrophobicContact CB-CB 3.84Å; L240-C270 PolarHBondContact O-N 2.87Å | ||
| 241 | L | 88.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.7 | 179.3 | -68.6 | 171.8 | 0 | 0 | 0 | 110.3 | C233 Q234 K239 Y243 E268 V269 | C233-L241 WeakPolarHBondContact CA-O 3.48Å; Q234-L241 PolarHBondContact N-O 2.73Å; Q234-L241 PolarHBondContact O-N 3.11Å; K239-L241 PolarHBondContact O-N 2.95Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; L241-E268 WeakPolarHBondContact CA-O 3.42Å; L241-V269 HydrophobicContact CD2-CG2 4.02Å |
| 242 | R | 91.8 | Very high | 84.7 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.7 | 165.4 | 59.4 | 178 | -171 | -173.3 | -1.3 | 109.7 | W230 T231 S267 E268 | W230-R242 HydrophobicContact CD2-CG 4.09Å; W230-R242 HydrophobicContact CE3-CB 3.98Å; W230-R242 HydrophobicContact CE3-CG 3.54Å; W230-R242 HydrophobicContact CZ3-CG 3.94Å; W230-R242 WeakPolarHBondContact CZ3-O 3.21Å; T231-R242 WeakPolarHBondContact O-CB 3.49Å; R242-S267 WeakPolarHBondContact O-CA 3.35Å; R242-E268 HydrophobicContact CG-CB 4.18Å; R242-E268 IonicContact CZ-OE2 2.81Å; R242-E268 VanDerWaalsContact CZ-OE2 3.26Å; R242-E268 PolarHBondContact N-O 2.93Å; R242-E268 IonicContact NE-OE2 3.16Å; R242-E268 PolarHBondContact NE-OE2 2.84Å; R242-E268 IonicContact NH2-OE1 3.1Å; R242-E268 IonicContact NH2-OE2 2.95Å; R242-E268 PolarHBondContact NH2-OE2 3.17Å; R242-E268 PolarHBondContact O-N 3.25Å |
| 243 | Y | 92.8 | Very high | 83.9 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.7 | -177 | -53.1 | -87.1 | 0 | 0 | 0 | 110.4 | W230 T231 L241 Q266 | W230-Y243 WeakPolarHBondContact CA-O 3.46Å; T231-Y243 PolarHBondContact N-O 2.8Å; T231-Y243 PolarHBondContact OG1-N 2.93Å; T231-Y243 PolarHBondContact OG1-O 3.36Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; Y243-Q266 WeakPolarHBondContact CA-O 3.5Å |
| 244 | R | 94.1 | Very high | 82.7 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.8 | 165.6 | 61.7 | 175.9 | -179.7 | -171.9 | 0.3 | 109.8 | W227 W230 Q265 Q266 | W227-R244 HydrophobicContact CD2-CG 4.07Å; W227-R244 HydrophobicContact CE3-CB 4.08Å; W227-R244 HydrophobicContact CE3-CG 3.49Å; W227-R244 VanDerWaalsContact CE3-CG 3.49Å; W227-R244 HydrophobicContact CZ3-CG 3.88Å; W227-R244 WeakPolarHBondContact CZ3-O 3.47Å; W230-R244 HydrophobicContact CD2-CB 3.96Å; W230-R244 HydrophobicContact CD2-CG 3.95Å; W230-R244 VanDerWaalsContact CE2-CD 3.4Å; W230-R244 HydrophobicContact CE3-CB 3.79Å; W230-R244 HydrophobicContact CE3-CG 3.79Å; W230-R244 HydrophobicContact CH2-CG 3.63Å; W230-R244 HydrophobicContact CZ2-CG 3.8Å; W230-R244 VanDerWaalsContact CZ2-CZ 3.49Å; W230-R244 HydrophobicContact CZ3-CB 4.1Å; W230-R244 HydrophobicContact CZ3-CG 3.62Å; R244-Q265 WeakPolarHBondContact O-CA 3.49Å; R244-Q266 HydrophobicContact CG-CB 4.13Å; R244-Q266 VanDerWaalsContact CZ-OE1 3.26Å; R244-Q266 PolarHBondContact N-O 3.01Å; R244-Q266 PolarHBondContact O-N 2.81Å |
| 245 | S | 93.5 | Very high | 81.9 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.2 | 176.6 | 27.3 | 0 | 0 | 0 | 0 | 110.5 | W227 E228 L264 | W227-S245 VanDerWaalsContact CE3-C 3.47Å; E228-S245 VanDerWaalsContact CB-O 3.3Å; E228-S245 WeakPolarHBondContact CB-O 3.47Å; E228-S245 WeakPolarHBondContact CG-O 3.02Å; E228-S245 PolarHBondContact N-O 3.21Å; E228-S245 PolarHBondContact OE2-OG 2.82Å; S245-L264 CarbonylContact C-O 3.51Å; S245-L264 WeakPolarHBondContact CA-O 3.5Å |
| 246 | R | 93.1 | Very high | 81.7 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | trans | -141.2 | 154.3 | 166.5 | 65.6 | -176.5 | 176.2 | 172.8 | -4 | 109.4 | Y224 W227 L263 L264 | Y224-R246 HydrophobicContact CD1-CG 4.39Å; W227-R246 HydrophobicContact CD2-CB 4.11Å; W227-R246 HydrophobicContact CD2-CG 4.1Å; W227-R246 HydrophobicContact CE3-CB 3.81Å; W227-R246 HydrophobicContact CE3-CG 3.87Å; W227-R246 HydrophobicContact CH2-CG 4Å; W227-R246 HydrophobicContact CZ2-CG 4.21Å; W227-R246 HydrophobicContact CZ3-CB 4.18Å; W227-R246 HydrophobicContact CZ3-CG 3.82Å; R246-L263 PolarHBondContact NE-O 3.34Å; R246-L263 PolarHBondContact NH2-O 3.48Å; R246-L264 PolarHBondContact N-O 3.01Å; R246-L264 WeakPolarHBondContact O-CD2 3.05Å | ||
| 247 | K | 89.5 | Confident | 81.9 | Confident | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.609 | 38% | 0.376 | S | S | * | . | trans | -99.5 | 169 | 178.5 | -63.4 | 177.9 | -172.8 | 173.8 | 0 | 110.4 | D225 | D225-K247 PolarHBondContact N-O 2.91Š| ||
| 248 | V | 90.6 | Very high | 82.3 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 30% | 0.303 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 117 | 172.1 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | R250 L251 C259 L264 | V248-R250 VanDerWaalsContact CG1-O 3.28Å; V248-R250 WeakPolarHBondContact CG1-O 3.39Å; V248-L251 HydrophobicContact CG1-CD2 4.18Å; V248-C259 VanDerWaalsContact CG1-SG 3.58Å; V248-C259 HydrophobicContact CG2-CB 4.18Å; V248-L264 HydrophobicContact CG2-CD2 3.85Å |
| 249 | S | 87 | Confident | 83.2 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -36.2 | 176.9 | -159 | 0 | 0 | 0 | 0 | 111.6 | K223 D225 | K223-S249 WeakPolarHBondContact O-CA 3.4Å; K223-S249 WeakPolarHBondContact O-CB 3.36Å; K223-S249 PolarHBondContact O-N 2.91Å; D225-S249 WeakPolarHBondContact OD1-CA 3.4Å; D225-S249 WeakPolarHBondContact OD1-CB 3.34Å; D225-S249 PolarHBondContact OD1-OG 3.43Å |
| 250 | R | 82.9 | Confident | 83.8 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 126.5 | -179.8 | -172.6 | -150.5 | -91.2 | -84.2 | -18.3 | 109.9 | C222 K223 V248 D253 | C222-R250 WeakPolarHBondContact CA-O 3.3Å; K223-R250 HydrophobicContact CB-CB 3.98Å; K223-R250 PolarHBondContact N-O 3.43Å; K223-R250 PolarHBondContact O-N 3.35Å; V248-R250 VanDerWaalsContact CG1-O 3.28Å; V248-R250 WeakPolarHBondContact CG1-O 3.39Å; R250-D253 IonicContact NH1-OD1 3.88Å |
| 251 | L | 82.6 | Confident | 84 | Confident | 130 Ų | 130 | 75.4 Ų | 75.4 | 68% | 0.681 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 148.3 | 167.3 | -65.5 | 171.8 | 0 | 0 | 0 | 110.7 | V248 | V248-L251 HydrophobicContact CG1-CD2 4.18Š|
| 252 | P | 74.8 | Confident | 83.8 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 24% | 0.24 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 143.7 | 178.7 | 29.9 | -37.4 | 0 | 0 | 0 | 111.1 | C222 K257 | C222-P252 HydrophobicContact CB-CB 4.37Å; P252-K257 WeakPolarHBondContact CB-O 3.17Å |
| 253 | D | 72.6 | Confident | 83.6 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 21% | 0.214 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.3 | 164.2 | -61.7 | -17.5 | 0 | 0 | 0 | 108.7 | K220 R250 G255 G256 | K220-D253 VanDerWaalsContact CB-OD2 3.23Å; K220-D253 WeakPolarHBondContact CB-OD2 3.44Å; K220-D253 WeakPolarHBondContact CG-OD2 3.43Å; K220-D253 PolarHBondContact N-OD2 3.02Å; K220-D253 PolarHBondContact O-N 3.15Å; R250-D253 IonicContact NH1-OD1 3.88Å; D253-G255 PolarHBondContact O-N 2.83Å; D253-G256 WeakPolarHBondContact O-CA 2.97Å; D253-G256 PolarHBondContact O-N 2.76Å |
| 254 | P | 63.7 | Low | 83.4 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 125.6 | 169.9 | -26.7 | 35.8 | 0 | 0 | 0 | 111.2 | L209 | L209-P254 HydrophobicContact CD1-CB 3.75Š|
| 255 | G | 67.4 | Low | 83.2 | Confident | 51 Ų | 51 | 78.8 Ų | 78.8 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -2.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | E207 D253 | E207-G255 PolarHBondContact OE2-N 3.46Å; D253-G255 PolarHBondContact O-N 2.83Å |
| 256 | G | 76 | Confident | 83.1 | Confident | 11 Ų | 11 | 80.4 Ų | 80.4 | 11% | 0.113 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -84.2 | 166.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D221 D253 N258 | D221-G256 WeakPolarHBondContact OD1-CA 3.4Å; D253-G256 WeakPolarHBondContact O-CA 2.97Å; D253-G256 PolarHBondContact O-N 2.76Å; G256-N258 PolarHBondContact O-N 2.03Å |
| 257 | K | 78.5 | Confident | 82.9 | Confident | 153 Ų | 153 | 81.7 Ų | 81.7 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 127.6 | 175.6 | -65.7 | 179.6 | -179.2 | 179.6 | 0 | 111.8 | D221 C222 P252 | D221-K257 HydrophobicContact CB-CB 4.04Å; D221-K257 PolarHBondContact OD1-N 3.31Å; C222-K257 WeakPolarHBondContact CB-O 3.37Å; C222-K257 PolarHBondContact N-O 2.91Å; P252-K257 WeakPolarHBondContact CB-O 3.17Å |
| 258 | N | 84.4 | Confident | 82.8 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 153.5 | 175.9 | -70.6 | 33.8 | 0 | 0 | 0 | 112.6 | G256 E260 | G256-N258 PolarHBondContact O-N 2.03Å; N258-E260 PolarHBondContact O-N 3.47Å |
| 259 | C | 86.4 | Confident | 82.5 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 123.7 | 173 | -49.3 | 0 | 0 | 0 | 0 | 110 | C222 V248 | C222-C259 HydrophobicContact CB-CB 3.88Å; C222-C259 WeakPolarHBondContact CB-SG 3.11Å; C222-C259 WeakPolarHBondContact SG-CA 3.2Å; C222-C259 WeakPolarHBondContact SG-CB 3.21Å; C222-C259 CovalentContact SG-SG 2.01Å; C222-C259 PolarHBondContact SG-SG 2.9Å; V248-C259 VanDerWaalsContact CG1-SG 3.58Å; V248-C259 HydrophobicContact CG2-CB 4.18Å |
| 260 | E | 88.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 127.5 | 170.9 | -159.5 | -177.9 | 162.7 | 0 | 0 | 110.3 | Y224 N258 S262 L263 | Y224-E260 WeakPolarHBondContact OH-CA 3.07Å; Y224-E260 PolarHBondContact OH-N 3.19Å; Y224-E260 PolarHBondContact OH-O 2.02Å; N258-E260 PolarHBondContact O-N 3.47Å; E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 VanDerWaalsContact CG-OG 3.23Å; E260-S262 WeakPolarHBondContact CG-OG 3.42Å; E260-S262 PolarHBondContact OE1-OG 3.34Å; E260-L263 HydrophobicContact CB-CB 4.41Å; E260-L263 HydrophobicContact CB-CD1 4.07Å; E260-L263 HydrophobicContact CB-CG 4.13Å; E260-L263 PolarHBondContact O-N 3.3Å |
| 261 | A | 84.9 | Confident | 82.1 | Confident | 79 Ų | 79 | 79 Ų | 79 | 65% | 0.653 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -68.4 | -32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L263 L264 | A261-L263 PolarHBondContact O-N 3.39Å; A261-L263 VanDerWaalsContact O-N 3.12Å; A261-L264 WeakPolarHBondContact O-CB 3.39Å; A261-L264 PolarHBondContact O-N 2.05Å; A261-L264 VanDerWaalsContact O-N 3.13Å |
| 262 | S | 85.3 | Confident | 81.7 | Confident | 74 Ų | 74 | 75 Ų | 75 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -59.4 | -23.9 | 177.9 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | E260 | E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 VanDerWaalsContact CG-OG 3.23Å; E260-S262 WeakPolarHBondContact CG-OG 3.42Å; E260-S262 PolarHBondContact OE1-OG 3.34Å |
| 263 | L | 86.3 | Confident | 81.7 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -91.3 | 1 | -176.8 | -71.8 | -173.8 | 0 | 0 | 0 | 113.6 | Y224 W227 R246 E260 A261 | Y224-L263 HydrophobicContact CE1-CB 4.05Å; Y224-L263 HydrophobicContact CE2-CB 4.26Å; Y224-L263 HydrophobicContact CE2-CD1 4.02Å; Y224-L263 WeakPolarHBondContact OH-CB 3.43Å; W227-L263 WeakPolarHBondContact CH2-O 3.45Å; R246-L263 PolarHBondContact NE-O 3.34Å; R246-L263 PolarHBondContact NH2-O 3.48Å; E260-L263 HydrophobicContact CB-CB 4.41Å; E260-L263 HydrophobicContact CB-CD1 4.07Å; E260-L263 HydrophobicContact CB-CG 4.13Å; E260-L263 PolarHBondContact O-N 3.3Å; A261-L263 PolarHBondContact O-N 3.39Å; A261-L263 VanDerWaalsContact O-N 3.12Å |
| 264 | L | 88.6 | Confident | 82 | Confident | 56 Ų | 56 | 77.5 Ų | 77.5 | 29% | 0.293 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -85.1 | -21 | 178.2 | -66.6 | 172.5 | 0 | 0 | 0 | 113.2 | Y224 S245 R246 V248 A261 | Y224-L264 HydrophobicContact CD1-CD2 3.83Å; Y224-L264 HydrophobicContact CE1-CD2 3.73Å; Y224-L264 HydrophobicContact CE1-CG 4.3Å; S245-L264 CarbonylContact C-O 3.51Å; S245-L264 WeakPolarHBondContact CA-O 3.5Å; R246-L264 PolarHBondContact N-O 3.01Å; R246-L264 WeakPolarHBondContact O-CD2 3.05Å; V248-L264 HydrophobicContact CG2-CD2 3.85Å; A261-L264 WeakPolarHBondContact O-CB 3.39Å; A261-L264 PolarHBondContact O-N 2.05Å; A261-L264 VanDerWaalsContact O-N 3.13Å |
| 265 | Q | 90.5 | Very high | 82.9 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.7 | -178.9 | -168.5 | 177.3 | 7 | 0 | 0 | 110.4 | R244 | R244-Q265 WeakPolarHBondContact O-CA 3.49Å |
| 266 | Q | 90.8 | Very high | 83.7 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147 | 176.2 | -168.2 | 176.6 | 19.2 | 0 | 0 | 110.6 | W227 W230 Y243 R244 | W227-Q266 HydrophobicContact CH2-CB 3.83Å; W227-Q266 HydrophobicContact CZ2-CB 4.36Å; W227-Q266 HydrophobicContact CZ3-CB 4.19Å; W230-Q266 HydrophobicContact CH2-CB 4.4Å; W230-Q266 HydrophobicContact CH2-CG 4.24Å; Y243-Q266 WeakPolarHBondContact CA-O 3.5Å; R244-Q266 HydrophobicContact CG-CB 4.13Å; R244-Q266 VanDerWaalsContact CZ-OE1 3.26Å; R244-Q266 PolarHBondContact N-O 3.01Å; R244-Q266 PolarHBondContact O-N 2.81Å |
| 267 | S | 89.9 | Confident | 84.2 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 51% | 0.51 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.4 | 173.2 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | R242 | R242-S267 WeakPolarHBondContact O-CA 3.35Å |
| 268 | E | 88.2 | Confident | 84.6 | Confident | 81 Ų | 81 | 79.8 Ų | 79.8 | 38% | 0.379 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.5 | 176.2 | -168 | -176.5 | -177.4 | 0 | 0 | 110.4 | W230 L241 R242 | W230-E268 HydrophobicContact CH2-CB 3.76Å; W230-E268 HydrophobicContact CZ2-CB 4.34Å; W230-E268 HydrophobicContact CZ3-CB 4.1Å; L241-E268 WeakPolarHBondContact CA-O 3.42Å; R242-E268 HydrophobicContact CG-CB 4.18Å; R242-E268 IonicContact CZ-OE2 2.81Å; R242-E268 VanDerWaalsContact CZ-OE2 3.26Å; R242-E268 PolarHBondContact N-O 2.93Å; R242-E268 IonicContact NE-OE2 3.16Å; R242-E268 PolarHBondContact NE-OE2 2.84Å; R242-E268 IonicContact NH2-OE1 3.1Å; R242-E268 IonicContact NH2-OE2 2.95Å; R242-E268 PolarHBondContact NH2-OE2 3.17Å; R242-E268 PolarHBondContact O-N 3.25Å |
| 269 | V | 84.5 | Confident | 84.8 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.2 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L240 L241 | L240-V269 CarbonylContact O-C 3.57Å; L240-V269 WeakPolarHBondContact O-CA 3.49Å; L241-V269 HydrophobicContact CD2-CG2 4.02Å |
| 270 | C | 83.8 | Confident | 85 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | trans | -71.2 | 134.1 | 178 | -66 | 0 | 0 | 0 | 0 | 111.2 | C233 L240 S272 | C233-C270 HydrophobicContact CB-CB 3.96Å; C233-C270 WeakPolarHBondContact CB-SG 2.99Å; C233-C270 WeakPolarHBondContact SG-CB 3.01Å; C233-C270 CovalentContact SG-SG 2.03Å; C233-C270 PolarHBondContact SG-SG 3.42Å; L240-C270 HydrophobicContact CB-CB 3.84Å; L240-C270 PolarHBondContact O-N 2.87Å; C270-S272 PolarHBondContact O-N 3.46Å | ||
| 271 | P | 76.7 | Confident | 85.1 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 80% | 0.799 | 40% | 0.402 | S | S | * | . | trans | -66.9 | 105 | 167.9 | 25.7 | -29.6 | 0 | 0 | 0 | 108.3 | ||||
| 272 | S | 74.5 | Confident | 85.4 | Confident | 46 Ų | 46 | 71 Ų | 71 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | trans | -132.5 | 135.7 | 174.9 | 75.8 | 0 | 0 | 0 | 0 | 110.4 | C270 C274 | C270-S272 PolarHBondContact O-N 3.46Å; S272-C274 VanDerWaalsContact C-N 3.27Å | ||
| 273 | N | 74 | Confident | 85.8 | Confident | 105 Ų | 105 | 68 Ų | 68 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -82.9 | -4.1 | 172 | 66.5 | -23.6 | 0 | 0 | 0 | 112.3 | F275 Q276 E277 | N273-F275 PolarHBondContact O-N 2.81Å; N273-F275 VanDerWaalsContact O-N 3.11Å; N273-Q276 WeakPolarHBondContact O-CA 3.42Å; N273-Q276 WeakPolarHBondContact O-CB 2.96Å; N273-Q276 PolarHBondContact O-N 3.32Å; N273-E277 PolarHBondContact ND2-OE1 2.91Å; N273-E277 WeakPolarHBondContact O-CG 3.26Å; N273-E277 PolarHBondContact O-N 3.3Å |
| 274 | C | 79.4 | Confident | 86 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.1 | -37.9 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | C237 S272 E277 K278 | C237-C274 HydrophobicContact CB-CB 3.68Å; C237-C274 WeakPolarHBondContact CB-SG 3.43Å; C237-C274 WeakPolarHBondContact SG-CB 3.06Å; C237-C274 CovalentContact SG-SG 2.05Å; C237-C274 PolarHBondContact SG-SG 3.17Å; S272-C274 VanDerWaalsContact C-N 3.27Å; C274-E277 PolarHBondContact O-N 2.93Å; C274-K278 PolarHBondContact O-N 3.35Å |
| 275 | F | 81.6 | Confident | 86.2 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 21% | 0.211 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.6 | -177.5 | -112.9 | 0 | 0 | 0 | 112 | N273 E277 K278 L279 V295 V313 | N273-F275 PolarHBondContact O-N 2.81Å; N273-F275 VanDerWaalsContact O-N 3.11Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 2.77Å; F275-K278 PolarHBondContact O-N 3.4Å; F275-L279 HydrophobicContact CD1-CD1 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.63Å; F275-L279 HydrophobicContact CE2-CD1 4.27Å; F275-L279 HydrophobicContact CZ-CD1 3.67Å; F275-L279 HydrophobicContact CZ-CG 4.38Å; F275-L279 WeakPolarHBondContact O-CG 3.49Å; F275-L279 PolarHBondContact O-N 2.9Å; F275-V295 HydrophobicContact CE2-CG1 3.48Å; F275-V295 VanDerWaalsContact CE2-CG1 3.48Å; F275-V295 HydrophobicContact CZ-CB 4.3Å; F275-V295 HydrophobicContact CZ-CG1 3.45Å; F275-V295 VanDerWaalsContact CZ-CG1 3.45Å; F275-V295 HydrophobicContact CZ-CG2 3.81Å; F275-V313 HydrophobicContact CE1-CG1 4.15Å; F275-V313 HydrophobicContact CE1-CG2 3.97Å |
| 276 | Q | 84.5 | Confident | 86.3 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.8 | -171 | 63.6 | 48.8 | 0 | 0 | 111.8 | N273 L279 N280 A311 | N273-Q276 WeakPolarHBondContact O-CA 3.42Å; N273-Q276 WeakPolarHBondContact O-CB 2.96Å; N273-Q276 PolarHBondContact O-N 3.32Å; Q276-L279 PolarHBondContact O-N 2.85Å; Q276-N280 PolarHBondContact NE2-OD1 2.67Å; Q276-N280 WeakPolarHBondContact O-CB 3.46Å; Q276-N280 PolarHBondContact O-N 3.1Å; Q276-N280 PolarHBondContact O-ND2 2.9Å; Q276-N280 PolarHBondContact O-OD1 2.03Å; Q276-A311 PolarHBondContact NE2-O 2.63Å |
| 277 | E | 86.4 | Confident | 86.1 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.5 | -71.6 | 176.1 | 171 | 0 | 0 | 112.4 | N273 C274 F275 L279 N280 A281 | N273-E277 PolarHBondContact ND2-OE1 2.91Å; N273-E277 WeakPolarHBondContact O-CG 3.26Å; N273-E277 PolarHBondContact O-N 3.3Å; C274-E277 PolarHBondContact O-N 2.93Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 2.77Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 2.67Å; E277-N280 PolarHBondContact O-N 2.87Å; E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3Å |
| 278 | K | 86.9 | Confident | 86.2 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 176.9 | -76.9 | -173.4 | 178.3 | -172.2 | 0 | 112.4 | C274 F275 A281 F282 | C274-K278 PolarHBondContact O-N 3.35Å; F275-K278 PolarHBondContact O-N 3.4Å; K278-A281 PolarHBondContact O-N 3.48Å; K278-F282 PolarHBondContact O-N 3.04Å |
| 279 | L | 89.1 | Confident | 86.4 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70 | -41.1 | 177.1 | -64 | -179 | 0 | 0 | 0 | 112 | F275 Q276 E277 A281 F282 C283 F303 A311 V313 | F275-L279 HydrophobicContact CD1-CD1 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.63Å; F275-L279 HydrophobicContact CE2-CD1 4.27Å; F275-L279 HydrophobicContact CZ-CD1 3.67Å; F275-L279 HydrophobicContact CZ-CG 4.38Å; F275-L279 WeakPolarHBondContact O-CG 3.49Å; F275-L279 PolarHBondContact O-N 2.9Å; Q276-L279 PolarHBondContact O-N 2.85Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 2.67Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 2.89Å; L279-F282 WeakPolarHBondContact O-CB 3.01Å; L279-F282 PolarHBondContact O-N 3.01Å; L279-C283 PolarHBondContact O-N 3.01Å; L279-F303 HydrophobicContact CD1-CB 4.3Å; L279-F303 HydrophobicContact CD1-CD1 4.25Å; L279-F303 HydrophobicContact CD1-CG 4.15Å; L279-F303 HydrophobicContact CD2-CD1 3.71Å; L279-F303 HydrophobicContact CD2-CD2 4.33Å; L279-F303 HydrophobicContact CD2-CE1 3.49Å; L279-F303 VanDerWaalsContact CD2-CE1 3.49Å; L279-F303 HydrophobicContact CD2-CE2 4.13Å; L279-F303 HydrophobicContact CD2-CG 4.13Å; L279-F303 HydrophobicContact CD2-CZ 3.7Å; L279-A311 HydrophobicContact CB-CB 3.48Å; L279-A311 VanDerWaalsContact CB-CB 3.48Å; L279-A311 HydrophobicContact CD1-CB 4.48Å; L279-V313 HydrophobicContact CD1-CG2 3.42Å; L279-V313 VanDerWaalsContact CD1-CG2 3.42Å |
| 280 | N | 90.2 | Very high | 86.6 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 173.3 | -67.8 | -12.8 | 0 | 0 | 0 | 110.9 | Q276 E277 F282 C283 A284 G309 A311 | Q276-N280 PolarHBondContact NE2-OD1 2.67Å; Q276-N280 WeakPolarHBondContact O-CB 3.46Å; Q276-N280 PolarHBondContact O-N 3.1Å; Q276-N280 PolarHBondContact O-ND2 2.9Å; Q276-N280 PolarHBondContact O-OD1 2.03Å; E277-N280 PolarHBondContact O-N 2.87Å; N280-F282 VanDerWaalsContact C-N 3.33Å; N280-F282 PolarHBondContact O-N 2.88Å; N280-C283 PolarHBondContact O-N 2.04Å; N280-A284 WeakPolarHBondContact O-CB 3.06Å; N280-A284 PolarHBondContact O-N 3.46Å; N280-G309 CarbonylContact C-O 3.54Å; N280-G309 WeakPolarHBondContact CA-O 3Å; N280-A311 PolarHBondContact OD1-N 3.04Å |
| 281 | A | 90.3 | Very high | 86.9 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E277 K278 L279 A284 Q285 | E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3Å; K278-A281 PolarHBondContact O-N 3.48Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 2.89Å; A281-A284 PolarHBondContact O-N 2.96Å; A281-Q285 WeakPolarHBondContact O-CB 3.05Å; A281-Q285 WeakPolarHBondContact O-CG 3.37Å; A281-Q285 PolarHBondContact O-N 3.18Å; A281-Q285 VanDerWaalsContact O-N 3.12Å |
| 282 | F | 91.7 | Very high | 87.7 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 32% | 0.316 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.4 | 176.2 | -91.1 | 0 | 0 | 0 | 111.8 | K278 L279 N280 A284 Q285 R286 G287 Y293 F303 | K278-F282 PolarHBondContact O-N 3.04Å; L279-F282 WeakPolarHBondContact O-CB 3.01Å; L279-F282 PolarHBondContact O-N 3.01Å; N280-F282 VanDerWaalsContact C-N 3.33Å; N280-F282 PolarHBondContact O-N 2.88Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.07Å; F282-Q285 PolarHBondContact O-N 2.95Å; F282-R286 HydrophobicContact CD2-CB 4.23Å; F282-R286 HydrophobicContact CE2-CB 4.05Å; F282-R286 PolarHBondContact O-N 3.48Å; F282-G287 PolarHBondContact O-N 2.9Å; F282-Y293 AromaticContact CE1-CD1 3.98Å; F282-Y293 HydrophobicContact CE1-CD1 3.98Å; F282-Y293 AromaticContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CE1 4.08Å; F282-Y293 AromaticContact CE1-CE2 3.88Å; F282-Y293 HydrophobicContact CE1-CE2 3.88Å; F282-Y293 AromaticContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CD1 4.05Å; F282-Y293 HydrophobicContact CZ-CE1 4.09Å; F282-Y293 HydrophobicContact CZ-CG 4.34Å; F282-F303 AromaticContact CD1-CE2 3.72Å; F282-F303 HydrophobicContact CD1-CE2 3.72Å; F282-F303 AromaticContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CE1-CE2 4.12Å; F282-F303 AromaticContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CG-CZ 4.41Å |
| 283 | C | 92.9 | Very high | 88.5 | Confident | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -30.1 | 178.7 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | L279 N280 C305 | L279-C283 PolarHBondContact O-N 3.01Å; N280-C283 PolarHBondContact O-N 2.04Å; C283-C305 WeakPolarHBondContact CA-SG 3.41Å; C283-C305 HydrophobicContact CB-CB 3.69Å; C283-C305 WeakPolarHBondContact CB-SG 3.36Å; C283-C305 WeakPolarHBondContact SG-CA 3.45Å; C283-C305 WeakPolarHBondContact SG-CB 3.28Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 2.86Å |
| 284 | A | 91.9 | Very high | 89.2 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 59% | 0.587 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.2 | -31.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | N280 A281 F282 | N280-A284 WeakPolarHBondContact O-CB 3.06Å; N280-A284 PolarHBondContact O-N 3.46Å; A281-A284 PolarHBondContact O-N 2.96Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.07Å |
| 285 | Q | 91.9 | Very high | 89.5 | Confident | 160 Ų | 160 | 72.7 Ų | 72.7 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -103.8 | -41.6 | -173.3 | -66.5 | -175.6 | -6.7 | 0 | 0 | 114.5 | A281 F282 | A281-Q285 WeakPolarHBondContact O-CB 3.05Å; A281-Q285 WeakPolarHBondContact O-CG 3.37Å; A281-Q285 PolarHBondContact O-N 3.18Å; A281-Q285 VanDerWaalsContact O-N 3.12Å; F282-Q285 PolarHBondContact O-N 2.95Å |
| 286 | R | 92 | Very high | 89.6 | Confident | 201 Ų | 201 | 72.2 Ų | 72.2 | 76% | 0.758 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | -20.3 | -168.4 | -65.1 | -174.7 | 179.2 | -175.7 | -1.2 | 114.2 | F282 | F282-R286 HydrophobicContact CD2-CB 4.23Å; F282-R286 HydrophobicContact CE2-CB 4.05Å; F282-R286 PolarHBondContact O-N 3.48Å |
| 287 | G | 87.8 | Confident | 89.4 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 145.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F282 | F282-G287 PolarHBondContact O-N 2.9Š|
| 288 | Q | 92.4 | Very high | 89.3 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 134.3 | 171.1 | -63.9 | -176.8 | -12.6 | 0 | 0 | 109.8 | G290 Q291 Y293 C305 | Q288-G290 PolarHBondContact O-N 3.13Å; Q288-Q291 HydrophobicContact CB-CB 4.09Å; Q288-Q291 PolarHBondContact O-N 3.38Å; Q288-Q291 VanDerWaalsContact O-N 3.16Å; Q288-Q291 VanDerWaalsContact OE1-OE1 3.12Å; Q288-Y293 PolarHBondContact N-OH 2.94Å; Q288-C305 WeakPolarHBondContact O-CB 3Å |
| 289 | V | 91.4 | Very high | 89.2 | Confident | 100 Ų | 100 | 67.5 Ų | 67.5 | 61% | 0.606 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.4 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | Q291 C305 P307 | V289-Q291 VanDerWaalsContact C-N 3.33Å; V289-C305 WeakPolarHBondContact CA-O 3.4Å; V289-P307 HydrophobicContact CG1-CG 3.78Å |
| 290 | G | 89.1 | Confident | 89.2 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -11.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q288 C305 | Q288-G290 PolarHBondContact O-N 3.13Å; G290-C305 PolarHBondContact N-O 3.12Å |
| 291 | Q | 91.1 | Very high | 89.2 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | trans | -83.1 | 142.3 | 177 | -168.2 | 174.2 | 11.8 | 0 | 0 | 111.4 | Q288 V289 Y293 I304 C305 | Q288-Q291 HydrophobicContact CB-CB 4.09Å; Q288-Q291 PolarHBondContact O-N 3.38Å; Q288-Q291 VanDerWaalsContact O-N 3.16Å; Q288-Q291 VanDerWaalsContact OE1-OE1 3.12Å; V289-Q291 VanDerWaalsContact C-N 3.33Å; Q291-Y293 HydrophobicContact CB-CE2 3.88Å; Q291-Y293 HydrophobicContact CG-CE1 4.06Å; Q291-Y293 HydrophobicContact CG-CE2 4.18Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.45Å; Q291-Y293 PolarHBondContact OE1-OH 2.61Å; Q291-I304 WeakPolarHBondContact O-CA 3.4Å; Q291-C305 PolarHBondContact O-N 2.76Å | ||
| 292 | I | 91.9 | Very high | 89.2 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.5 | 178.9 | -48.7 | 176.5 | 0 | 0 | 0 | 109.6 | Y302 F303 I304 F322 | I292-Y302 HydrophobicContact CG2-CD2 3.4Å; I292-Y302 HydrophobicContact CG2-CE2 4.11Å; I292-Y302 HydrophobicContact CG2-CG 4.14Å; I292-F303 WeakPolarHBondContact CA-O 3.33Å; I292-I304 HydrophobicContact CG1-CD1 4.42Å; I292-F322 HydrophobicContact CB-CZ 4.09Å; I292-F322 HydrophobicContact CG2-CE1 4.38Å; I292-F322 HydrophobicContact CG2-CE2 3.61Å; I292-F322 HydrophobicContact CG2-CZ 3.41Å; I292-F322 VanDerWaalsContact CG2-CZ 3.41Å |
| 293 | Y | 91.2 | Very high | 89.3 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.1 | -178.5 | -59.6 | -78.8 | 0 | 0 | 0 | 111.4 | F282 Q288 Q291 Y302 F303 C305 | F282-Y293 AromaticContact CE1-CD1 3.98Å; F282-Y293 HydrophobicContact CE1-CD1 3.98Å; F282-Y293 AromaticContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CE1 4.08Å; F282-Y293 AromaticContact CE1-CE2 3.88Å; F282-Y293 HydrophobicContact CE1-CE2 3.88Å; F282-Y293 AromaticContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CD1 4.05Å; F282-Y293 HydrophobicContact CZ-CE1 4.09Å; F282-Y293 HydrophobicContact CZ-CG 4.34Å; Q288-Y293 PolarHBondContact N-OH 2.94Å; Q291-Y293 HydrophobicContact CB-CE2 3.88Å; Q291-Y293 HydrophobicContact CG-CE1 4.06Å; Q291-Y293 HydrophobicContact CG-CE2 4.18Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.45Å; Q291-Y293 PolarHBondContact OE1-OH 2.61Å; Y293-Y302 CarbonylContact O-C 3.54Å; Y293-Y302 VanDerWaalsContact O-CA 3.31Å; Y293-Y302 WeakPolarHBondContact O-CA 3.37Å; Y293-Y302 WeakPolarHBondContact O-CB 3.45Å; Y293-F303 VanDerWaalsContact CB-CZ 3.47Å; Y293-F303 AromaticContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CZ 4.19Å; Y293-F303 HydrophobicContact CG-CE2 4.31Å; Y293-F303 HydrophobicContact CG-CZ 4.1Å; Y293-F303 PolarHBondContact N-O 3.06Å; Y293-F303 WeakPolarHBondContact O-CD1 3.34Å; Y293-F303 PolarHBondContact O-N 2.91Å; Y293-C305 HydrophobicContact CE2-CB 4.38Å |
| 294 | A | 89.6 | Confident | 89.4 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 139.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G296 F322 A324 | A294-G296 PolarHBondContact O-N 3.1Å; A294-F322 HydrophobicContact CB-CD1 3.69Å; A294-F322 HydrophobicContact CB-CE1 4.03Å; A294-A324 HydrophobicContact CB-CB 4.38Å |
| 295 | V | 86.5 | Confident | 89.5 | Confident | 45 Ų | 45 | 67 Ų | 67 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -68.4 | -27 | 173.4 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | F275 T299 K301 F303 | F275-V295 HydrophobicContact CE2-CG1 3.48Å; F275-V295 VanDerWaalsContact CE2-CG1 3.48Å; F275-V295 HydrophobicContact CZ-CB 4.3Å; F275-V295 HydrophobicContact CZ-CG1 3.45Å; F275-V295 VanDerWaalsContact CZ-CG1 3.45Å; F275-V295 HydrophobicContact CZ-CG2 3.81Å; V295-T299 HydrophobicContact CB-CG2 4.21Å; V295-K301 HydrophobicContact CB-CB 4.31Å; V295-K301 WeakPolarHBondContact CB-O 3.44Å; V295-K301 HydrophobicContact CG2-CB 3.91Å; V295-K301 VanDerWaalsContact CG2-O 3.3Å; V295-K301 WeakPolarHBondContact CG2-O 3.49Å; V295-K301 PolarHBondContact N-O 3.28Å; V295-F303 HydrophobicContact CG2-CD1 3.81Å; V295-F303 HydrophobicContact CG2-CE1 4.44Å |
| 296 | G | 83 | Confident | 89.6 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -170 | -174.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | A294 T299 | A294-G296 PolarHBondContact O-N 3.1Å; G296-T299 WeakPolarHBondContact O-CG2 3.45Å |
| 297 | Q | 80.9 | Confident | 89.5 | Confident | 155 Ų | 155 | 58 Ų | 58 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 132.8 | 172.4 | -66 | -173.4 | -25.3 | 0 | 0 | 109.6 | T299 | Q297-T299 PolarHBondContact O-N 2.68Š|
| 298 | C | 83.5 | Confident | 89.6 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 62.4 | 177.8 | -161.8 | 0 | 0 | 0 | 0 | 114.1 | F321 C338 | C298-F321 WeakPolarHBondContact O-CD1 3.4Å; C298-F321 WeakPolarHBondContact O-CE1 3.3Å; C298-C338 WeakPolarHBondContact CA-SG 3.23Å; C298-C338 HydrophobicContact CB-CB 3.97Å; C298-C338 WeakPolarHBondContact CB-SG 3.37Å; C298-C338 VanDerWaalsContact SG-CA 3.55Å; C298-C338 WeakPolarHBondContact SG-CB 3.02Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 2.96Å |
| 299 | T | 85.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | trans | -117.7 | 151.8 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | V295 G296 Q297 K301 F322 | V295-T299 HydrophobicContact CB-CG2 4.21Å; G296-T299 WeakPolarHBondContact O-CG2 3.45Å; Q297-T299 PolarHBondContact O-N 2.68Å; T299-K301 VanDerWaalsContact C-N 3.27Å; T299-K301 WeakPolarHBondContact CG2-O 3.45Å; T299-K301 PolarHBondContact OG1-N 2.89Å; T299-K301 VanDerWaalsContact OG1-N 3.08Å; T299-F322 PolarHBondContact O-N 2.65Å | ||
| 300 | Q | 89 | Confident | 89.4 | Confident | 54 Ų | 54 | 57 Ų | 57 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.4 | -16.1 | 168.8 | -53.8 | -165.1 | -84.8 | 0 | 0 | 111.8 | E315 C316 P317 W320 F321 | Q300-E315 HydrophobicContact CB-CG 4.19Å; Q300-E315 CarbonylContact O-C 3.54Å; Q300-E315 WeakPolarHBondContact O-CA 3.33Å; Q300-C316 HydrophobicContact CB-CB 4.37Å; Q300-C316 WeakPolarHBondContact O-CB 3.4Å; Q300-C316 PolarHBondContact O-N 3.48Å; Q300-C316 PolarHBondContact O-SG 3.3Å; Q300-P317 PolarHBondContact NE2-O 2.87Å; Q300-W320 VanDerWaalsContact CG-O 3.28Å; Q300-W320 WeakPolarHBondContact CG-O 3.44Å; Q300-W320 PolarHBondContact NE2-O 3.01Å; Q300-F321 HydrophobicContact CG-CD1 3.97Å; Q300-F321 HydrophobicContact CG-CD2 4.46Å; Q300-F321 HydrophobicContact CG-CE1 3.87Å; Q300-F321 HydrophobicContact CG-CE2 4.37Å; Q300-F321 HydrophobicContact CG-CG 4.28Å; Q300-F321 HydrophobicContact CG-CZ 4.08Å |
| 301 | K | 89.5 | Confident | 89.5 | Confident | 82 Ų | 82 | 55 Ų | 55 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.3 | -175 | -64.8 | -175.5 | 177.9 | -176.8 | 0 | 112.1 | V295 T299 V313 S314 E315 | V295-K301 HydrophobicContact CB-CB 4.31Å; V295-K301 WeakPolarHBondContact CB-O 3.44Å; V295-K301 HydrophobicContact CG2-CB 3.91Å; V295-K301 VanDerWaalsContact CG2-O 3.3Å; V295-K301 WeakPolarHBondContact CG2-O 3.49Å; V295-K301 PolarHBondContact N-O 3.28Å; T299-K301 VanDerWaalsContact C-N 3.27Å; T299-K301 WeakPolarHBondContact CG2-O 3.45Å; T299-K301 PolarHBondContact OG1-N 2.89Å; T299-K301 VanDerWaalsContact OG1-N 3.08Å; K301-V313 HydrophobicContact CB-CG1 4.5Å; K301-S314 WeakPolarHBondContact CA-O 3.44Å; K301-E315 WeakPolarHBondContact CE-OE1 3.45Å; K301-E315 WeakPolarHBondContact CE-OE2 3.44Å; K301-E315 HydrophobicContact CG-CB 4.25Å; K301-E315 HydrophobicContact CG-CG 4.03Å; K301-E315 IonicContact NZ-OE2 3.3Å |
| 302 | Y | 91.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 165.7 | 174.1 | 62.8 | -88.7 | 0 | 0 | 0 | 109.6 | I292 Y293 V313 S314 F322 | I292-Y302 HydrophobicContact CG2-CD2 3.4Å; I292-Y302 HydrophobicContact CG2-CE2 4.11Å; I292-Y302 HydrophobicContact CG2-CG 4.14Å; Y293-Y302 CarbonylContact O-C 3.54Å; Y293-Y302 VanDerWaalsContact O-CA 3.31Å; Y293-Y302 WeakPolarHBondContact O-CA 3.37Å; Y293-Y302 WeakPolarHBondContact O-CB 3.45Å; Y302-V313 WeakPolarHBondContact O-CA 3.41Å; Y302-S314 VanDerWaalsContact CZ-CB 3.48Å; Y302-S314 PolarHBondContact N-O 2.87Å; Y302-S314 PolarHBondContact O-N 2.64Å; Y302-F322 HydrophobicContact CD1-CB 4.15Å; Y302-F322 AromaticContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CE2 4.26Å; Y302-F322 HydrophobicContact CD1-CG 4.06Å; Y302-F322 HydrophobicContact CD2-CD2 4.23Å; Y302-F322 HydrophobicContact CD2-CE2 4.11Å; Y302-F322 HydrophobicContact CE1-CD2 4.3Å; Y302-F322 HydrophobicContact CG-CB 4.48Å; Y302-F322 AromaticContact CG-CD2 3.51Å; Y302-F322 HydrophobicContact CG-CD2 3.51Å; Y302-F322 AromaticContact CG-CE2 3.82Å; Y302-F322 HydrophobicContact CG-CE2 3.82Å; Y302-F322 AromaticContact CG-CG 3.99Å; Y302-F322 HydrophobicContact CG-CG 3.99Å |
| 303 | F | 93.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 150.5 | 178.6 | 67.7 | -79.9 | 0 | 0 | 0 | 111.4 | L279 F282 I292 Y293 V295 A311 S312 V313 | L279-F303 HydrophobicContact CD1-CB 4.3Å; L279-F303 HydrophobicContact CD1-CD1 4.25Å; L279-F303 HydrophobicContact CD1-CG 4.15Å; L279-F303 HydrophobicContact CD2-CD1 3.71Å; L279-F303 HydrophobicContact CD2-CD2 4.33Å; L279-F303 HydrophobicContact CD2-CE1 3.49Å; L279-F303 VanDerWaalsContact CD2-CE1 3.49Å; L279-F303 HydrophobicContact CD2-CE2 4.13Å; L279-F303 HydrophobicContact CD2-CG 4.13Å; L279-F303 HydrophobicContact CD2-CZ 3.7Å; F282-F303 AromaticContact CD1-CE2 3.72Å; F282-F303 HydrophobicContact CD1-CE2 3.72Å; F282-F303 AromaticContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CE1-CE2 4.12Å; F282-F303 AromaticContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CG-CZ 4.41Å; I292-F303 WeakPolarHBondContact CA-O 3.33Å; Y293-F303 VanDerWaalsContact CB-CZ 3.47Å; Y293-F303 AromaticContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CZ 4.19Å; Y293-F303 HydrophobicContact CG-CE2 4.31Å; Y293-F303 HydrophobicContact CG-CZ 4.1Å; Y293-F303 PolarHBondContact N-O 3.06Å; Y293-F303 WeakPolarHBondContact O-CD1 3.34Å; Y293-F303 PolarHBondContact O-N 2.91Å; V295-F303 HydrophobicContact CG2-CD1 3.81Å; V295-F303 HydrophobicContact CG2-CE1 4.44Å; F303-A311 HydrophobicContact CD2-CB 3.8Å; F303-A311 HydrophobicContact CE2-CB 4.5Å; F303-A311 HydrophobicContact CG-CB 4.48Å; F303-S312 CarbonylContact C-O 3.51Å; F303-S312 WeakPolarHBondContact CA-O 3.5Å; F303-S312 WeakPolarHBondContact CB-O 3.48Å; F303-V313 HydrophobicContact CB-CG2 4.26Å |
| 304 | I | 93.7 | Very high | 89.6 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.7 | 173.8 | -173.6 | 167.3 | 0 | 0 | 0 | 109.4 | Q291 I292 L306 A311 S312 | Q291-I304 WeakPolarHBondContact O-CA 3.4Å; I292-I304 HydrophobicContact CG1-CD1 4.42Å; I304-L306 HydrophobicContact CG2-CD2 4.31Å; I304-A311 WeakPolarHBondContact O-CA 3.48Å; I304-S312 PolarHBondContact N-O 2.98Å; I304-S312 PolarHBondContact O-N 2.77Å |
| 305 | C | 94.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.2 | 173.6 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | C283 Q288 V289 G290 Q291 Y293 | C283-C305 WeakPolarHBondContact CA-SG 3.41Å; C283-C305 HydrophobicContact CB-CB 3.69Å; C283-C305 WeakPolarHBondContact CB-SG 3.36Å; C283-C305 WeakPolarHBondContact SG-CA 3.45Å; C283-C305 WeakPolarHBondContact SG-CB 3.28Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 2.86Å; Q288-C305 WeakPolarHBondContact O-CB 3Å; V289-C305 WeakPolarHBondContact CA-O 3.4Å; G290-C305 PolarHBondContact N-O 3.12Å; Q291-C305 PolarHBondContact O-N 2.76Å; Y293-C305 HydrophobicContact CE2-CB 4.38Å |
| 306 | L | 93.4 | Very high | 89.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 158.5 | 178.2 | -61.2 | 178 | 0 | 0 | 0 | 110.7 | I304 G308 G309 K310 | I304-L306 HydrophobicContact CG2-CD2 4.31Å; L306-G308 PolarHBondContact O-N 3.33Å; L306-G309 PolarHBondContact O-N 3.37Å; L306-K310 WeakPolarHBondContact CB-O 3.38Å; L306-K310 PolarHBondContact N-O 2.81Å |
| 307 | P | 90.1 | Very high | 90.1 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 137.7 | 170.9 | -22.5 | 31 | 0 | 0 | 0 | 111.7 | V289 | V289-P307 HydrophobicContact CG1-CG 3.78Š|
| 308 | G | 89.6 | Confident | 90.2 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 80% | 0.804 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 15.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L306 K310 | L306-G308 PolarHBondContact O-N 3.33Å; G308-K310 PolarHBondContact O-N 2.9Å |
| 309 | G | 88.6 | Confident | 90.1 | Very high | 16 Ų | 16 | 62.3 Ų | 62.3 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 24.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N280 L306 | N280-G309 CarbonylContact C-O 3.54Å; N280-G309 WeakPolarHBondContact CA-O 3Å; L306-G309 PolarHBondContact O-N 3.37Å |
| 310 | K | 91.6 | Very high | 90.2 | Very high | 134 Ų | 134 | 66.1 Ų | 66.1 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 141.8 | 177.3 | -64.7 | -177.5 | -178.7 | 178.7 | 0 | 110.3 | L306 G308 | L306-K310 WeakPolarHBondContact CB-O 3.38Å; L306-K310 PolarHBondContact N-O 2.81Å; G308-K310 PolarHBondContact O-N 2.9Å |
| 311 | A | 91.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q276 L279 N280 F303 I304 | Q276-A311 PolarHBondContact NE2-O 2.63Å; L279-A311 HydrophobicContact CB-CB 3.48Å; L279-A311 VanDerWaalsContact CB-CB 3.48Å; L279-A311 HydrophobicContact CD1-CB 4.48Å; N280-A311 PolarHBondContact OD1-N 3.04Å; F303-A311 HydrophobicContact CD2-CB 3.8Å; F303-A311 HydrophobicContact CE2-CB 4.5Å; F303-A311 HydrophobicContact CG-CB 4.48Å; I304-A311 WeakPolarHBondContact O-CA 3.48Å |
| 312 | S | 93 | Very high | 90.4 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.9 | 166.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | F303 I304 | F303-S312 CarbonylContact C-O 3.51Å; F303-S312 WeakPolarHBondContact CA-O 3.5Å; F303-S312 WeakPolarHBondContact CB-O 3.48Å; I304-S312 PolarHBondContact N-O 2.98Å; I304-S312 PolarHBondContact O-N 2.77Å |
| 313 | V | 91 | Very high | 90.3 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.5 | -177.5 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | F275 L279 K301 Y302 F303 | F275-V313 HydrophobicContact CE1-CG1 4.15Å; F275-V313 HydrophobicContact CE1-CG2 3.97Å; L279-V313 HydrophobicContact CD1-CG2 3.42Å; L279-V313 VanDerWaalsContact CD1-CG2 3.42Å; K301-V313 HydrophobicContact CB-CG1 4.5Å; Y302-V313 WeakPolarHBondContact O-CA 3.41Å; F303-V313 HydrophobicContact CB-CG2 4.26Å |
| 314 | S | 91.6 | Very high | 90 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.5 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | K301 Y302 | K301-S314 WeakPolarHBondContact CA-O 3.44Å; Y302-S314 VanDerWaalsContact CZ-CB 3.48Å; Y302-S314 PolarHBondContact N-O 2.87Å; Y302-S314 PolarHBondContact O-N 2.64Å |
| 315 | E | 91.2 | Very high | 89.7 | Confident | 111 Ų | 111 | 64.3 Ų | 64.3 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.6 | -178.8 | -171 | 154.5 | -150.7 | 0 | 0 | 109.1 | Q300 K301 | Q300-E315 HydrophobicContact CB-CG 4.19Å; Q300-E315 CarbonylContact O-C 3.54Å; Q300-E315 WeakPolarHBondContact O-CA 3.33Å; K301-E315 WeakPolarHBondContact CE-OE1 3.45Å; K301-E315 WeakPolarHBondContact CE-OE2 3.44Å; K301-E315 HydrophobicContact CG-CB 4.25Å; K301-E315 HydrophobicContact CG-CG 4.03Å; K301-E315 IonicContact NZ-OE2 3.3Å |
| 316 | C | 91.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.3 | 172.2 | -69.8 | 0 | 0 | 0 | 0 | 109.8 | Q300 W320 C329 | Q300-C316 HydrophobicContact CB-CB 4.37Å; Q300-C316 WeakPolarHBondContact O-CB 3.4Å; Q300-C316 PolarHBondContact O-N 3.48Å; Q300-C316 PolarHBondContact O-SG 3.3Å; C316-W320 HydrophobicContact CB-CB 4.11Å; C316-W320 VanDerWaalsContact CB-O 3.23Å; C316-W320 WeakPolarHBondContact CB-O 3.34Å; C316-C329 VanDerWaalsContact CA-SG 3.51Å; C316-C329 HydrophobicContact CB-CB 3.81Å; C316-C329 WeakPolarHBondContact CB-SG 3.42Å; C316-C329 WeakPolarHBondContact SG-CB 3.23Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 2.7Å |
| 317 | P | 88.3 | Confident | 89.2 | Confident | 79 Ų | 79 | 67 Ų | 67 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 160.3 | 173.5 | 23.1 | -31.4 | 0 | 0 | 0 | 111.7 | Q300 Y319 W320 | Q300-P317 PolarHBondContact NE2-O 2.87Å; P317-Y319 PolarHBondContact O-N 3.15Å; P317-W320 HydrophobicContact CG-CB 4.07Å; P317-W320 HydrophobicContact CG-CD2 4.4Å; P317-W320 HydrophobicContact CG-CG 4.05Å; P317-W320 WeakPolarHBondContact O-CB 3.42Å; P317-W320 PolarHBondContact O-N 2.84Å |
| 318 | S | 83.1 | Confident | 89.2 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 132.1 | -178.1 | -52.5 | 0 | 0 | 0 | 0 | 112 | W320 | S318-W320 PolarHBondContact O-N 2.81Š|
| 319 | Y | 80.6 | Confident | 89.3 | Confident | 187 Ų | 187 | 63.7 Ų | 63.7 | 73% | 0.733 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 2.8 | -177.3 | -47.9 | -79.3 | 0 | 0 | 0 | 116.8 | P317 | P317-Y319 PolarHBondContact O-N 3.15Š|
| 320 | W | 88.7 | Confident | 89.3 | Confident | 111 Ų | 111 | 67 Ų | 67 | 42% | 0.42 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.1 | 173.4 | -69.1 | 50.5 | 0 | 0 | 0 | 110.4 | Q300 C316 P317 S318 C329 P331 | Q300-W320 VanDerWaalsContact CG-O 3.28Å; Q300-W320 WeakPolarHBondContact CG-O 3.44Å; Q300-W320 PolarHBondContact NE2-O 3.01Å; C316-W320 HydrophobicContact CB-CB 4.11Å; C316-W320 VanDerWaalsContact CB-O 3.23Å; C316-W320 WeakPolarHBondContact CB-O 3.34Å; P317-W320 HydrophobicContact CG-CB 4.07Å; P317-W320 HydrophobicContact CG-CD2 4.4Å; P317-W320 HydrophobicContact CG-CG 4.05Å; P317-W320 WeakPolarHBondContact O-CB 3.42Å; P317-W320 PolarHBondContact O-N 2.84Å; S318-W320 PolarHBondContact O-N 2.81Å; W320-C329 HydrophobicContact CB-CB 4.29Å; W320-C329 VanDerWaalsContact CE3-C 3.46Å; W320-C329 HydrophobicContact CE3-CB 4Å; W320-C329 WeakPolarHBondContact CZ3-O 3.5Å; W320-P331 HydrophobicContact CD2-CG 4.27Å; W320-P331 HydrophobicContact CH2-CG 4.38Å; W320-P331 HydrophobicContact CZ2-CG 3.99Å |
| 321 | F | 90.1 | Very high | 89.1 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.5 | -177.5 | -73.7 | -101.1 | 0 | 0 | 0 | 109.6 | C298 Q300 D323 C329 R330 V332 I335 L342 | C298-F321 WeakPolarHBondContact O-CD1 3.4Å; C298-F321 WeakPolarHBondContact O-CE1 3.3Å; Q300-F321 HydrophobicContact CG-CD1 3.97Å; Q300-F321 HydrophobicContact CG-CD2 4.46Å; Q300-F321 HydrophobicContact CG-CE1 3.87Å; Q300-F321 HydrophobicContact CG-CE2 4.37Å; Q300-F321 HydrophobicContact CG-CG 4.28Å; Q300-F321 HydrophobicContact CG-CZ 4.08Å; F321-D323 PolarHBondContact O-N 3.01Å; F321-C329 CarbonylContact O-C 3.34Å; F321-C329 WeakPolarHBondContact O-CA 3.45Å; F321-R330 PolarHBondContact N-O 3Å; F321-R330 PolarHBondContact O-N 3.31Å; F321-R330 VanDerWaalsContact O-O 3.14Å; F321-V332 HydrophobicContact CD2-CB 3.66Å; F321-V332 HydrophobicContact CD2-CG2 3.68Å; F321-V332 HydrophobicContact CE2-CB 3.93Å; F321-V332 HydrophobicContact CE2-CG2 3.83Å; F321-V332 HydrophobicContact CG-CB 4.46Å; F321-V332 HydrophobicContact CG-CG2 4.14Å; F321-V332 HydrophobicContact CZ-CG2 4.39Å; F321-I335 HydrophobicContact CB-CD1 3.59Å; F321-I335 WeakPolarHBondContact O-CD1 3.49Å; F321-L342 HydrophobicContact CZ-CD1 4.45Å |
| 322 | F | 91 | Very high | 88.7 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.6 | -179.2 | -177.4 | -100.8 | 0 | 0 | 0 | 110.9 | I292 A294 T299 Y302 A324 | I292-F322 HydrophobicContact CB-CZ 4.09Å; I292-F322 HydrophobicContact CG2-CE1 4.38Å; I292-F322 HydrophobicContact CG2-CE2 3.61Å; I292-F322 HydrophobicContact CG2-CZ 3.41Å; I292-F322 VanDerWaalsContact CG2-CZ 3.41Å; A294-F322 HydrophobicContact CB-CD1 3.69Å; A294-F322 HydrophobicContact CB-CE1 4.03Å; T299-F322 PolarHBondContact O-N 2.65Å; Y302-F322 HydrophobicContact CD1-CB 4.15Å; Y302-F322 AromaticContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CE2 4.26Å; Y302-F322 HydrophobicContact CD1-CG 4.06Å; Y302-F322 HydrophobicContact CD2-CD2 4.23Å; Y302-F322 HydrophobicContact CD2-CE2 4.11Å; Y302-F322 HydrophobicContact CE1-CD2 4.3Å; Y302-F322 HydrophobicContact CG-CB 4.48Å; Y302-F322 AromaticContact CG-CD2 3.51Å; Y302-F322 HydrophobicContact CG-CD2 3.51Å; Y302-F322 AromaticContact CG-CE2 3.82Å; Y302-F322 HydrophobicContact CG-CE2 3.82Å; Y302-F322 AromaticContact CG-CG 3.99Å; Y302-F322 HydrophobicContact CG-CG 3.99Å; F322-A324 HydrophobicContact CE1-CB 4.29Å |
| 323 | D | 90.2 | Very high | 88.1 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 105.5 | 175 | 179.8 | 5.1 | 0 | 0 | 0 | 109.8 | F321 S325 T326 S327 N328 R330 I335 | F321-D323 PolarHBondContact O-N 3.01Å; D323-S325 PolarHBondContact O-N 2.01Å; D323-S325 WeakPolarHBondContact OD1-CB 2.99Å; D323-S325 PolarHBondContact OD1-N 2.99Å; D323-S325 PolarHBondContact OD1-OG 2.79Å; D323-S325 PolarHBondContact OD2-OG 3.48Å; D323-S325 VanDerWaalsContact OD2-OG 3.1Å; D323-T326 WeakPolarHBondContact CB-OG1 3.48Å; D323-T326 VanDerWaalsContact CG-OG1 3.25Å; D323-T326 PolarHBondContact O-N 2.93Å; D323-T326 PolarHBondContact OD2-OG1 2.97Å; D323-S327 WeakPolarHBondContact O-CA 3.46Å; D323-S327 PolarHBondContact O-N 3.03Å; D323-N328 WeakPolarHBondContact CB-O 3.39Å; D323-N328 PolarHBondContact N-O 3.46Å; D323-N328 PolarHBondContact O-N 2.85Å; D323-R330 HydrophobicContact CB-CG 4.46Å; D323-R330 IonicContact OD2-NH1 3.18Å; D323-I335 HydrophobicContact CB-CD1 3.98Å; D323-I335 HydrophobicContact CB-CG1 4.04Å; D323-I335 HydrophobicContact CB-CG2 4.42Å |
| 324 | A | 87.3 | Confident | 87.6 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 55% | 0.554 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A294 F322 | A294-A324 HydrophobicContact CB-CB 4.38Å; F322-A324 HydrophobicContact CE1-CB 4.29Å |
| 325 | S | 86.9 | Confident | 87.2 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -33.6 | 179.3 | 72.4 | 0 | 0 | 0 | 0 | 112.6 | D323 | D323-S325 PolarHBondContact O-N 2.01Å; D323-S325 WeakPolarHBondContact OD1-CB 2.99Å; D323-S325 PolarHBondContact OD1-N 2.99Å; D323-S325 PolarHBondContact OD1-OG 2.79Å; D323-S325 PolarHBondContact OD2-OG 3.48Å; D323-S325 VanDerWaalsContact OD2-OG 3.1Å |
| 326 | T | 88 | Confident | 86.6 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -2 | 179.4 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | D323 N328 | D323-T326 WeakPolarHBondContact CB-OG1 3.48Å; D323-T326 VanDerWaalsContact CG-OG1 3.25Å; D323-T326 PolarHBondContact O-N 2.93Å; D323-T326 PolarHBondContact OD2-OG1 2.97Å; T326-N328 PolarHBondContact O-N 2.67Å |
| 327 | S | 88.6 | Confident | 85.8 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 34.8 | -172.6 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | D323 | D323-S327 WeakPolarHBondContact O-CA 3.46Å; D323-S327 PolarHBondContact O-N 3.03Å |
| 328 | N | 91.2 | Very high | 85.3 | Confident | 98 Ų | 98 | 66 Ų | 66 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.2 | -174 | -162.5 | 1.6 | 0 | 0 | 0 | 111.3 | D323 T326 | D323-N328 WeakPolarHBondContact CB-O 3.39Å; D323-N328 PolarHBondContact N-O 3.46Å; D323-N328 PolarHBondContact O-N 2.85Å; T326-N328 PolarHBondContact O-N 2.67Å |
| 329 | C | 91.7 | Very high | 84.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 8% | 0.081 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 133.3 | 170 | -63.5 | 0 | 0 | 0 | 0 | 109 | C316 W320 F321 | C316-C329 VanDerWaalsContact CA-SG 3.51Å; C316-C329 HydrophobicContact CB-CB 3.81Å; C316-C329 WeakPolarHBondContact CB-SG 3.42Å; C316-C329 WeakPolarHBondContact SG-CB 3.23Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 2.7Å; W320-C329 HydrophobicContact CB-CB 4.29Å; W320-C329 VanDerWaalsContact CE3-C 3.46Å; W320-C329 HydrophobicContact CE3-CB 4Å; W320-C329 WeakPolarHBondContact CZ3-O 3.5Å; F321-C329 CarbonylContact O-C 3.34Å; F321-C329 WeakPolarHBondContact O-CA 3.45Å |
| 330 | R | 89.2 | Confident | 83.7 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.1 | 175.1 | -63.7 | -177.1 | 71.7 | -177 | 3.1 | 110.9 | F321 D323 M334 I335 | F321-R330 PolarHBondContact N-O 3Å; F321-R330 PolarHBondContact O-N 3.31Å; F321-R330 VanDerWaalsContact O-O 3.14Å; D323-R330 HydrophobicContact CB-CG 4.46Å; D323-R330 IonicContact OD2-NH1 3.18Å; R330-M334 HydrophobicContact CB-CB 4.47Å; R330-M334 PolarHBondContact NH2-SD 3.45Å; R330-I335 HydrophobicContact CB-CD1 4.32Å; R330-I335 HydrophobicContact CB-CG1 4.15Å |
| 331 | P | 85.8 | Confident | 82 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 144.9 | 169.7 | -26.4 | 37.7 | 0 | 0 | 0 | 111.6 | W320 Y333 M334 | W320-P331 HydrophobicContact CD2-CG 4.27Å; W320-P331 HydrophobicContact CH2-CG 4.38Å; W320-P331 HydrophobicContact CZ2-CG 3.99Å; P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 HydrophobicContact CB-CD1 3.87Å; P331-Y333 HydrophobicContact CB-CE1 3.27Å; P331-Y333 HydrophobicContact CB-CE2 4.21Å; P331-Y333 VanDerWaalsContact CB-CZ 3.47Å; P331-Y333 HydrophobicContact CG-CE1 4.27Å; P331-Y333 PolarHBondContact O-N 2.92Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; P331-M334 HydrophobicContact CB-CE 4.04Å; P331-M334 HydrophobicContact CG-CE 3.58Å; P331-M334 WeakPolarHBondContact O-CB 3.27Å; P331-M334 PolarHBondContact O-N 3.23Å |
| 332 | V | 83.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -58.6 | -33.3 | -167.4 | 75.8 | 0 | 0 | 0 | 0 | 114.9 | F321 M334 I335 C338 L342 L346 | F321-V332 HydrophobicContact CD2-CB 3.66Å; F321-V332 HydrophobicContact CD2-CG2 3.68Å; F321-V332 HydrophobicContact CE2-CB 3.93Å; F321-V332 HydrophobicContact CE2-CG2 3.83Å; F321-V332 HydrophobicContact CG-CB 4.46Å; F321-V332 HydrophobicContact CG-CG2 4.14Å; F321-V332 HydrophobicContact CZ-CG2 4.39Å; V332-M334 PolarHBondContact O-N 2.84Å; V332-I335 PolarHBondContact O-N 3.46Å; V332-C338 HydrophobicContact CG2-CB 3.74Å; V332-L342 HydrophobicContact CB-CD1 4.39Å; V332-L342 HydrophobicContact CG2-CD1 3.15Å; V332-L346 HydrophobicContact CG1-CD1 4.46Å; V332-L346 HydrophobicContact CG1-CD2 4.38Å |
| 333 | Y | 80.3 | Confident | 77.8 | Confident | 177 Ų | 177 | 68.2 Ų | 68.2 | 69% | 0.694 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -71.2 | -12 | 179.2 | 57.6 | -98.3 | 0 | 0 | 0 | 113.7 | P331 | P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 HydrophobicContact CB-CD1 3.87Å; P331-Y333 HydrophobicContact CB-CE1 3.27Å; P331-Y333 HydrophobicContact CB-CE2 4.21Å; P331-Y333 VanDerWaalsContact CB-CZ 3.47Å; P331-Y333 HydrophobicContact CG-CE1 4.27Å; P331-Y333 PolarHBondContact O-N 2.92Å; P331-Y333 VanDerWaalsContact O-N 3.13Å |
| 334 | M | 81.7 | Confident | 75.6 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -94.6 | -6.7 | 177.3 | -58.1 | -171.9 | -152.7 | 0 | 0 | 113.6 | R330 P331 V332 P336 | R330-M334 HydrophobicContact CB-CB 4.47Å; R330-M334 PolarHBondContact NH2-SD 3.45Å; P331-M334 HydrophobicContact CB-CE 4.04Å; P331-M334 HydrophobicContact CG-CE 3.58Å; P331-M334 WeakPolarHBondContact O-CB 3.27Å; P331-M334 PolarHBondContact O-N 3.23Å; V332-M334 PolarHBondContact O-N 2.84Å; M334-P336 WeakPolarHBondContact O-CD 3.11Å |
| 335 | I | 82.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | trans | -103.1 | 109.2 | -174.1 | -53.6 | -179.1 | 0 | 0 | 0 | 108.5 | F321 D323 R330 V332 S337 C338 | F321-I335 HydrophobicContact CB-CD1 3.59Å; F321-I335 WeakPolarHBondContact O-CD1 3.49Å; D323-I335 HydrophobicContact CB-CD1 3.98Å; D323-I335 HydrophobicContact CB-CG1 4.04Å; D323-I335 HydrophobicContact CB-CG2 4.42Å; R330-I335 HydrophobicContact CB-CD1 4.32Å; R330-I335 HydrophobicContact CB-CG1 4.15Å; V332-I335 PolarHBondContact O-N 3.46Å; I335-S337 WeakPolarHBondContact CG2-OG 3.28Å; I335-S337 PolarHBondContact O-N 3.23Å; I335-S337 VanDerWaalsContact O-N 3.12Å; I335-C338 HydrophobicContact CB-CB 4.18Å; I335-C338 WeakPolarHBondContact O-CB 3.24Å; I335-C338 PolarHBondContact O-N 3.07Å | ||
| 336 | P | 79.3 | Confident | 71.2 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 66% | 0.656 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -57.2 | -33.5 | -174.4 | -27.3 | 35.3 | 0 | 0 | 0 | 114.2 | M334 C338 S339 | M334-P336 WeakPolarHBondContact O-CD 3.11Å; P336-C338 VanDerWaalsContact C-N 3.27Å; P336-C338 PolarHBondContact O-N 2.78Å; P336-S339 VanDerWaalsContact C-OG 3.26Å; P336-S339 WeakPolarHBondContact CA-OG 3.46Å; P336-S339 PolarHBondContact O-N 3.27Å; P336-S339 PolarHBondContact O-OG 3.09Å |
| 337 | S | 74.4 | Confident | 68.7 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -72.1 | -15 | 178.1 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | I335 | I335-S337 WeakPolarHBondContact CG2-OG 3.28Å; I335-S337 PolarHBondContact O-N 3.23Å; I335-S337 VanDerWaalsContact O-N 3.12Å |
| 338 | C | 77.7 | Confident | 66 | Low | 4 Ų | 4 | 84.6 Ų | 84.6 | 3% | 0.027 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -87.5 | -18.1 | 176.1 | -74.1 | 0 | 0 | 0 | 0 | 113.7 | C298 V332 I335 P336 G340 Q341 | C298-C338 WeakPolarHBondContact CA-SG 3.23Å; C298-C338 HydrophobicContact CB-CB 3.97Å; C298-C338 WeakPolarHBondContact CB-SG 3.37Å; C298-C338 VanDerWaalsContact SG-CA 3.55Å; C298-C338 WeakPolarHBondContact SG-CB 3.02Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 2.96Å; V332-C338 HydrophobicContact CG2-CB 3.74Å; I335-C338 HydrophobicContact CB-CB 4.18Å; I335-C338 WeakPolarHBondContact O-CB 3.24Å; I335-C338 PolarHBondContact O-N 3.07Å; P336-C338 VanDerWaalsContact C-N 3.27Å; P336-C338 PolarHBondContact O-N 2.78Å; C338-G340 PolarHBondContact O-N 3.49Å; C338-Q341 PolarHBondContact O-N 2.8Å |
| 339 | S | 67.7 | Low | 63.3 | Low | 100 Ų | 100 | 88.3 Ų | 88.3 | 70% | 0.699 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -1.4 | -166.9 | -28.3 | 0 | 0 | 0 | 0 | 116.7 | P336 | P336-S339 VanDerWaalsContact C-OG 3.26Å; P336-S339 WeakPolarHBondContact CA-OG 3.46Å; P336-S339 PolarHBondContact O-N 3.27Å; P336-S339 PolarHBondContact O-OG 3.09Å |
| 340 | G | 61.6 | Low | 60.6 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -8.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C338 | C338-G340 PolarHBondContact O-N 3.49Š|
| 341 | Q | 54.4 | Low | 57.9 | Low | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.9 | -177.4 | -79.5 | -172 | -66.4 | 0 | 0 | 114 | C338 | C338-Q341 PolarHBondContact O-N 2.8Š|
| 342 | L | 49.9 | Very low | 55.4 | Low | 30 Ų | 30 | 99.3 Ų | 99.3 | 16% | 0.157 | 53% | 0.533 | C | S | . | . | trans | -105.7 | 28.6 | -172 | -69.3 | 164 | 0 | 0 | 0 | 114.3 | F321 V332 G344 H345 L346 | F321-L342 HydrophobicContact CZ-CD1 4.45Å; V332-L342 HydrophobicContact CB-CD1 4.39Å; V332-L342 HydrophobicContact CG2-CD1 3.15Å; L342-G344 PolarHBondContact O-N 3.22Å; L342-H345 HydrophobicContact CD2-CB 3.8Å; L342-H345 PolarHBondContact O-N 3.48Å; L342-L346 HydrophobicContact CB-CD1 3.94Å | ||
| 343 | Q | 42.4 | Very low | 53 | Low | 177 Ų | 177 | 106 Ų | 106 | 83% | 0.827 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -11.1 | 166.8 | -79.3 | -169.8 | -47.9 | 0 | 0 | 113.3 | ||
| 344 | G | 44.4 | Very low | 50.6 | Low | 57 Ų | 57 | 106.5 Ų | 106.5 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -8.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | L342 | L342-G344 PolarHBondContact O-N 3.22Š|
| 345 | H | 41 | Very low | 48.2 | Very low | 155 Ų | 155 | 108.3 Ų | 108.3 | 72% | 0.718 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -3.9 | -174.5 | -71.7 | -45.4 | 0 | 0 | 0 | 114.9 | L342 F347 | L342-H345 HydrophobicContact CD2-CB 3.8Å; L342-H345 PolarHBondContact O-N 3.48Å; H345-F347 VanDerWaalsContact C-N 3.3Å |
| 346 | L | 39 | Very low | 45.8 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 59% | 0.586 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -87.3 | 3.4 | 172.3 | -83.1 | 150.7 | 0 | 0 | 0 | 113.7 | V332 L342 | V332-L346 HydrophobicContact CG1-CD1 4.46Å; V332-L346 HydrophobicContact CG1-CD2 4.38Å; L342-L346 HydrophobicContact CB-CD1 3.94Å |
| 347 | F | 35.9 | Very low | 43.5 | Very low | 180 Ų | 180 | 115.4 Ų | 115.4 | 79% | 0.789 | 62% | 0.622 | S | S | * | * | trans | -113 | 56.8 | 169.8 | -66.4 | -77.1 | 0 | 0 | 0 | 112 | H345 | H345-F347 VanDerWaalsContact C-N 3.3Š| ||
| 348 | H | 33.3 | Very low | 41.5 | Very low | 137 Ų | 137 | 122 Ų | 122 | 63% | 0.634 | 64% | 0.637 | S | S | * | * | trans | -133.8 | 60.9 | 151.9 | -97.5 | -76.7 | 0 | 0 | 0 | 108.4 | Q350 D351 | H348-Q350 VanDerWaalsContact C-N 3.26Å; H348-D351 IonicContact CE1-OD2 3.69Å; H348-D351 PolarHBondContact CE1-OD2 3.35Å; H348-D351 IonicContact ND1-OD2 2.66Å; H348-D351 PolarHBondContact ND1-OD2 3.24Å | ||
| 349 | H | 34.5 | Very low | 39.5 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.815 | 67% | 0.674 | S | S | * | * | trans | -89.6 | 10.9 | 167.8 | -130.4 | -64.9 | 0 | 0 | 0 | 112.5 | ||||
| 350 | Q | 34.8 | Very low | 37.7 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -111.3 | -4.3 | 178.7 | -71.7 | -172.9 | -9.8 | 0 | 0 | 115.4 | H348 | H348-Q350 VanDerWaalsContact C-N 3.26Š|
| 351 | D | 33 | Very low | 36.1 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 55% | 0.551 | 70% | 0.695 | S | S | * | * | trans | -112.6 | 5.7 | 177 | -65.8 | -50.7 | 0 | 0 | 0 | 115.1 | H348 H353 | H348-D351 IonicContact CE1-OD2 3.69Å; H348-D351 PolarHBondContact CE1-OD2 3.35Å; H348-D351 IonicContact ND1-OD2 2.66Å; H348-D351 PolarHBondContact ND1-OD2 3.24Å; D351-H353 PolarHBondContact O-N 3.33Å | ||
| 352 | A | 33.2 | Very low | 35 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 48% | 0.479 | 70% | 0.703 | S | S | . | * | trans | -75.7 | 71.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F354 | A352-F354 PolarHBondContact O-N 3.18Š| ||
| 353 | H | 32.3 | Very low | 34.8 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -56.2 | 91.6 | 159.3 | -77.2 | 70 | 0 | 0 | 0 | 107 | D351 P355 | D351-H353 PolarHBondContact O-N 3.33Å; H353-P355 WeakPolarHBondContact O-CD 3.07Å; H353-P355 VanDerWaalsContact O-N 3.13Å | ||
| 354 | F | 29.6 | Very low | 34.4 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -56 | 115.2 | 159.7 | -83.7 | -90 | 0 | 0 | 0 | 106.3 | A352 | A352-F354 PolarHBondContact O-N 3.18Š| ||
| 355 | P | 30.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 161.1 Ų | 161.1 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -62.9 | 132 | 173.2 | 25.6 | -30.1 | 0 | 0 | 0 | 107.3 | H353 I357 | H353-P355 WeakPolarHBondContact O-CD 3.07Å; H353-P355 VanDerWaalsContact O-N 3.13Å; P355-I357 PolarHBondContact O-N 3.33Å; P355-I357 VanDerWaalsContact O-N 3.17Å | ||
| 356 | P | 32.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 161.4 Ų | 161.4 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | trans | -61.1 | 124.3 | -178.3 | 23.9 | -31.5 | 0 | 0 | 0 | 108.6 | Y358 | P356-Y358 PolarHBondContact O-N 2.03Š| ||
| 357 | I | 31.8 | Very low | 33.2 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -60.9 | 102.6 | 169.6 | -63.4 | 171.2 | 0 | 0 | 0 | 106 | P355 H359 | P355-I357 PolarHBondContact O-N 3.33Å; P355-I357 VanDerWaalsContact O-N 3.17Å; I357-H359 VanDerWaalsContact C-N 3.35Å; I357-H359 PolarHBondContact O-N 2.87Å | ||
| 358 | Y | 32 | Very low | 33 | Very low | 212 Ų | 212 | 163.3 Ų | 163.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -58.4 | 100.2 | 166.4 | -80.3 | -90.3 | 0 | 0 | 0 | 107.6 | P356 M360 | P356-Y358 PolarHBondContact O-N 2.03Å; Y358-M360 PolarHBondContact O-N 3.37Å | ||
| 359 | H | 34.9 | Very low | 33 | Very low | 175 Ų | 175 | 165.1 Ų | 165.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 106.8 | 161.7 | -99 | -85.1 | 0 | 0 | 0 | 107.4 | I357 R361 | I357-H359 VanDerWaalsContact C-N 3.35Å; I357-H359 PolarHBondContact O-N 2.87Å; H359-R361 PolarHBondContact O-N 3.18Å | ||
| 360 | M | 31 | Very low | 32.9 | Very low | 162 Ų | 162 | 164.3 Ų | 164.3 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 128 | 173.1 | -67.4 | -177.5 | -164.7 | 0 | 0 | 109.8 | Y358 Q362 | Y358-M360 PolarHBondContact O-N 3.37Å; M360-Q362 PolarHBondContact O-N 2.88Å | ||
| 361 | R | 27.8 | Very low | 32.7 | Very low | 249 Ų | 249 | 162.9 Ų | 162.9 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | trans | -62.9 | 119.4 | 154.4 | -70.5 | -177.4 | -171.1 | -173.8 | 2 | 107.7 | H359 | H359-R361 PolarHBondContact O-N 3.18Š| ||
| 362 | Q | 31 | Very low | 32.7 | Very low | 151 Ų | 151 | 167.9 Ų | 167.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -130 | 135.7 | 156.5 | -78.8 | -176.4 | -18 | 0 | 0 | 107.2 | M360 | M360-Q362 PolarHBondContact O-N 2.88Š| ||
| 363 | Y | 45.8 | Very low | 32.7 | Very low | 304 Ų | 304 | 177.9 Ų | 177.9 | 100% | 1.192 | 81% | 0.814 | S | S | * | * | trans | 84 | 0 | -169.3 | -54.6 | -72.3 | 0 | 0 | 0 | 115.8 |
Retrieved 363 of 363 residues in 140.8 ms
(Link to these results)