| 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 | 44.5 | Very low | 31.5 | Very low | 244 Ų | 244 | 135.3 Ų | 135.3 | 100% | 1.202 | 81% | 0.81 | S | S | * | * | 0 | 101.9 | 0 | -75.5 | 163.3 | 113.3 | 0 | 0 | 108.9 | |||||
| 2 | K | 30.9 | Very low | 31.1 | Very low | 212 Ų | 212 | 131.2 Ų | 131.2 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | trans | 179 | 118.4 | 165.9 | -101.5 | 173.1 | -177.3 | -174.4 | 0 | 104.3 | ||||
| 3 | G | 27.1 | Very low | 31.5 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | 79.6 | 108.9 | 106.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 4 | G | 35.5 | Very low | 31.5 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | cis | 123.5 | 115.2 | 35.4 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 5 | D | 30.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -156.2 | 104 | 167.3 | -93.2 | -37 | 0 | 0 | 0 | 111.4 | ||||
| 6 | V | 31.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 45.2 | 105.2 | 135 | -159.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 7 | N | 27.8 | Very low | 31.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -49.7 | 124.4 | 153.2 | -169.2 | -1.2 | 0 | 0 | 0 | 112.8 | A9 | N7-A9 PolarHBondContact OD1-N 2.81Š| ||
| 8 | V | 28.9 | Very low | 31.3 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -129.7 | 64.3 | 152.7 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | A | 32 | Very low | 31.3 | Very low | 73 Ų | 73 | 129 Ų | 129 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | trans | -75.3 | 111.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | N7 | N7-A9 PolarHBondContact OD1-N 2.81Š| ||
| 10 | S | 30.2 | Very low | 31.5 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 163.7 | 83.4 | 147.4 | -76.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | I | 27.9 | Very low | 31.6 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | trans | -134.2 | 114.9 | 138.4 | -57.2 | -176.9 | 0 | 0 | 0 | 106.9 | ||||
| 12 | P | 26.6 | Very low | 31 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | trans | -76.7 | 159.8 | -169.8 | 28.7 | -33.6 | 0 | 0 | 0 | 114.1 | L14 | P12-L14 VanDerWaalsContact C-N 3.27Å; P12-L14 PolarHBondContact O-N 3.41Å | ||
| 13 | P | 36.3 | Very low | 31.2 | Very low | 133 Ų | 133 | 106.3 Ų | 106.3 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82.1 | 52.9 | -169.6 | 36.2 | -37 | 0 | 0 | 0 | 113.4 | ||
| 14 | L | 31 | Very low | 31.6 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | trans | -120.7 | 3 | -174.1 | -84.7 | 170 | 0 | 0 | 0 | 117.1 | P12 | P12-L14 VanDerWaalsContact C-N 3.27Å; P12-L14 PolarHBondContact O-N 3.41Å | ||
| 15 | Y | 29.8 | Very low | 31.6 | Very low | 173 Ų | 173 | 116.1 Ų | 116.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.1 | -7.1 | -176.9 | -78.2 | -78.5 | 0 | 0 | 0 | 116.9 | ||
| 16 | A | 30.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -23.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 17 | C | 31.8 | Very low | 32.1 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 70% | 0.703 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -24.3 | 178.1 | -94.9 | 0 | 0 | 0 | 0 | 113.9 | A21 | C17-A21 PolarHBondContact O-N 3.38Š|
| 18 | E | 30.8 | Very low | 32.6 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 56% | 0.556 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.9 | -22.8 | -179.1 | -77.9 | -164.9 | 136.4 | 0 | 0 | 114.3 | A22 | E18-A22 WeakPolarHBondContact O-CB 3.21Å; E18-A22 PolarHBondContact O-N 2.74Å |
| 19 | L | 30.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.9 | -24.3 | 176.4 | -80.4 | 167.4 | 0 | 0 | 0 | 113.4 | ||
| 20 | V | 36.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 62% | 0.624 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.1 | -37.1 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 21 | A | 33.4 | Very low | 33.6 | Very low | 52 Ų | 52 | 132.2 Ų | 132.2 | 43% | 0.43 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -76.4 | -29 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C17 R25 | C17-A21 PolarHBondContact O-N 3.38Å; A21-R25 PolarHBondContact O-N 2.88Å |
| 22 | A | 32.8 | Very low | 34 | Very low | 43 Ų | 43 | 133.4 Ų | 133.4 | 36% | 0.355 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -78.1 | -18.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | E18 | E18-A22 WeakPolarHBondContact O-CB 3.21Å; E18-A22 PolarHBondContact O-N 2.74Å |
| 23 | G | 34.3 | Very low | 34.4 | Very low | 39 Ų | 39 | 137.6 Ų | 137.6 | 40% | 0.402 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -78.2 | -37.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 24 | E | 36.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.1 | -27.3 | -177.1 | -76.9 | -172.1 | 133.4 | 0 | 0 | 114.3 | ||
| 25 | R | 34.3 | Very low | 35.2 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.4 | -25.5 | 172.9 | -73.1 | -175.8 | -175.6 | 172.8 | 3 | 113.3 | A21 | A21-R25 PolarHBondContact O-N 2.88Å |
| 26 | R | 37.4 | Very low | 35.2 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -76.1 | -29.4 | 177.2 | -123.7 | 179.5 | -64.8 | -155.7 | 0.4 | 113.2 | ||
| 27 | N | 36.2 | Very low | 35.3 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 65% | 0.647 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.5 | -21.8 | 177.8 | -100.6 | -18 | 0 | 0 | 0 | 114 | ||
| 28 | R | 37.8 | Very low | 36 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.6 | -29.2 | 171.2 | -82.9 | -175 | 178.4 | -176.4 | 1.3 | 113.4 | ||
| 29 | Q | 35.3 | Very low | 36.7 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.3 | -34.5 | 178.8 | -148.9 | 74.9 | -5.5 | 0 | 0 | 112.7 | K31 K32 | Q29-K31 VanDerWaalsContact C-N 3.26Å; Q29-K31 PolarHBondContact O-N 2.78Å; Q29-K32 PolarHBondContact O-N 2.79Å |
| 30 | R | 39.3 | Very low | 37.3 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69 | -19.6 | 177.3 | -86.8 | -176.2 | 156.4 | -171.1 | -5.3 | 114.3 | ||
| 31 | K | 36.7 | Very low | 37.5 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4.6 | 177.5 | -120.8 | 177 | -177.8 | 178.9 | 0 | 114.4 | Q29 | Q29-K31 VanDerWaalsContact C-N 3.26Å; Q29-K31 PolarHBondContact O-N 2.78Å |
| 32 | K | 36 | Very low | 38.1 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 2.2 | 177.1 | -86.6 | -171.2 | 176 | -177.1 | 0 | 115.6 | Q29 | Q29-K32 PolarHBondContact O-N 2.79Š|
| 33 | M | 36.7 | Very low | 38.6 | Very low | 173 Ų | 173 | 163.9 Ų | 163.9 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -108.8 | 9.1 | 177.9 | -77.6 | -177.4 | 172.4 | 0 | 0 | 115.1 | R35 | M33-R35 PolarHBondContact O-N 3.19Š|
| 34 | A | 38.2 | Very low | 38.8 | Very low | 93 Ų | 93 | 166.4 Ų | 166.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -96.5 | 42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 35 | R | 44.8 | Very low | 39 | Very low | 248 Ų | 248 | 166.9 Ų | 166.9 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -139.2 | 110.8 | 167.2 | -88.3 | -173.7 | 169.2 | 177.1 | -3.5 | 109.9 | M33 | M33-R35 PolarHBondContact O-N 3.19Š| ||
| 36 | G | 30.6 | Very low | 39.2 | Very low | 83 Ų | 83 | 167.2 Ų | 167.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 110.1 | 130.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | G | 31.8 | Very low | 39.4 | Very low | 71 Ų | 71 | 166.6 Ų | 166.6 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | cis | -174.3 | 156.1 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 38 | R | 46.6 | Very low | 39.5 | Very low | 254 Ų | 254 | 169.7 Ų | 169.7 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -28.5 | 123.5 | 169.2 | -61.3 | 165.8 | -115.6 | -167.7 | -3.3 | 114.3 | ||||
| 39 | S | 44.7 | Very low | 39.6 | Very low | 103 Ų | 103 | 168 Ų | 168 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -176 | 89 | 144.1 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 40 | L | 43.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 169.5 Ų | 169.5 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | -138.3 | 43.3 | 166.2 | -78.9 | 178.7 | 0 | 0 | 0 | 111.3 | ||||
| 41 | R | 42 | Very low | 39.5 | Very low | 246 Ų | 246 | 165.3 Ų | 165.3 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -117 | 24 | 173.9 | -77.3 | -165.1 | -180 | -166.6 | 1.1 | 114.3 | ||
| 42 | R | 45.4 | Very low | 39.3 | Very low | 224 Ų | 224 | 161.6 Ų | 161.6 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -126.2 | 2.8 | -177 | -107.4 | -173.6 | -161 | -179.7 | 5.7 | 117.9 | ||
| 43 | V | 43.3 | Very low | 39.2 | Very low | 131 Ų | 131 | 159.4 Ų | 159.4 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -106.6 | -4.1 | -178.6 | -168.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 44 | A | 38.6 | Very low | 38.9 | Very low | 93 Ų | 93 | 155.6 Ų | 155.6 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -91.6 | -2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 45 | E | 40.7 | Very low | 38.5 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 73% | 0.729 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -101.6 | 2.7 | -174.1 | -88.3 | -79.7 | 135.1 | 0 | 0 | 114.3 | ||
| 46 | Y | 36.8 | Very low | 37.8 | Very low | 217 Ų | 217 | 154.9 Ų | 154.9 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -105.1 | 1.6 | -175.8 | -116.8 | -90.9 | 0 | 0 | 0 | 115.6 | ||
| 47 | L | 41.7 | Very low | 37.7 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -108.8 | 18.6 | -179.2 | -73.2 | 173.9 | 0 | 0 | 0 | 114.2 | ||
| 48 | K | 38.5 | Very low | 37.6 | Very low | 186 Ų | 186 | 160.8 Ų | 160.8 | 81% | 0.809 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -109 | 9.4 | 179.8 | -86 | -171.1 | 177.8 | -179.2 | 0 | 115.7 | ||
| 49 | Q | 40.9 | Very low | 36.7 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -135.5 | 100.1 | 175.5 | -69.2 | -179.3 | -8.5 | 0 | 0 | 109.6 | ||||
| 50 | L | 37.5 | Very low | 36.1 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -169.9 | 141.5 | 131.9 | -92.6 | 152.3 | 0 | 0 | 0 | 109.6 | ||||
| 51 | P | 33.8 | Very low | 35.5 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -97.4 | 159 | -156.9 | 2.1 | 19.6 | 0 | 0 | 0 | 115 | ||||
| 52 | S | 34.4 | Very low | 35 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -92.4 | 134.2 | 170.3 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 53 | T | 32.8 | Very low | 34.4 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -166.2 | 109.9 | 152.3 | 46.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 54 | A | 30.3 | Very low | 34 | Very low | 93 Ų | 93 | 151.7 Ų | 151.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 81.3 | 115.3 | 75.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 55 | S | 29.8 | Very low | 34 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 90.8 | 128.7 | 136.8 | -63.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 56 | R | 30.1 | Very low | 33.7 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | trans | 67.3 | 151.5 | 141 | -77 | 179.7 | 140.1 | 160 | -1.7 | 118.6 | ||||
| 57 | E | 27.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 158.7 Ų | 158.7 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | cis | -165.9 | 153.6 | -8.5 | -124.9 | 170.7 | 158.9 | 0 | 0 | 106.7 | ||||
| 58 | I | 30.8 | Very low | 33.3 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | 27.5 | 128.7 | 147.1 | -54.7 | 160.5 | 0 | 0 | 0 | 119.8 | ||||
| 59 | Q | 28.2 | Very low | 33.1 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 169.8 | 136.5 | 110.8 | -163.6 | 155.6 | -2.5 | 0 | 0 | 113.7 | |||||
| 60 | A | 31.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -63.3 | 144.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 61 | R | 30.4 | Very low | 33.2 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -171.2 | 136.1 | 134 | -115.2 | 170.9 | 169 | 169.4 | -4.1 | 113.1 | ||||
| 62 | N | 32.6 | Very low | 33.7 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -48.7 | 142.6 | 166.2 | -66.3 | -27.8 | 0 | 0 | 0 | 112.5 | ||||
| 63 | N | 32.5 | Very low | 34 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -153.9 | 115.4 | 136 | -112.3 | -11 | 0 | 0 | 0 | 111.7 | ||||
| 64 | V | 34.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -66 | 135.6 | 164.5 | 171.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 65 | R | 39 | Very low | 34.7 | Very low | 244 Ų | 244 | 151.7 Ų | 151.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -151.2 | 146.6 | 135.3 | -71.3 | -156.3 | -170.2 | 120.1 | 6.1 | 111.7 | ||||
| 66 | Y | 33.4 | Very low | 35.1 | Very low | 208 Ų | 208 | 157 Ų | 157 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -76.6 | 176.7 | -165.4 | -110.4 | -115.1 | 0 | 0 | 0 | 116.3 | ||||
| 67 | L | 36.2 | Very low | 35.6 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | 109.3 | 128.1 | 157.4 | -56.8 | 174.3 | 0 | 0 | 0 | 112 | ||||
| 68 | S | 35.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -153.2 | 152.7 | 28.6 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 69 | S | 34.3 | Very low | 37.8 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 139.6 | -178 | 50.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 70 | C | 40 | Very low | 38.4 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -131.7 | 107.7 | 144 | -100.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 71 | G | 39.2 | Very low | 38.8 | Very low | 74 Ų | 74 | 153.8 Ų | 153.8 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -73.1 | 140.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 72 | I | 44.3 | Very low | 38.9 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 116.4 | 148.6 | -61 | -178.4 | 0 | 0 | 0 | 106.4 | M74 | I72-M74 PolarHBondContact O-N 3.32Š| ||
| 73 | L | 40.3 | Very low | 39.1 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 120.9 | 179 | -151.7 | 90.2 | 0 | 0 | 0 | 109 | T75 | L73-T75 HydrophobicContact CD2-CG2 4.17Š| ||
| 74 | M | 38.3 | Very low | 39.6 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -99 | 104.3 | 166.4 | -81.5 | -76.4 | -87.2 | 0 | 0 | 108.4 | I72 | I72-M74 PolarHBondContact O-N 3.32Š| ||
| 75 | T | 40.5 | Very low | 40 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -104.7 | 110.5 | 161.7 | 40.5 | 0 | 0 | 0 | 0 | 108.9 | L73 | L73-T75 HydrophobicContact CD2-CG2 4.17Š| ||
| 76 | R | 38.9 | Very low | 40.7 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -79 | 141.4 | 152.9 | -68.7 | -171.9 | 160.3 | 176.3 | -4.5 | 106.4 | ||||
| 77 | V | 39.9 | Very low | 41.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -177.2 | 157 | 80.1 | 162.9 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 78 | P | 46.7 | Very low | 41.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -106.8 | -148 | -164 | 41.3 | -26.8 | 0 | 0 | 0 | 112 | ||||
| 79 | P | 58.7 | Low | 42.2 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | cis | -117.6 | 165.6 | -49.9 | 32.8 | -17.9 | 0 | 0 | 0 | 111.7 | ||||
| 80 | L | 39.1 | Very low | 42.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -162.6 | 152.2 | 147.3 | -86.3 | -164 | 0 | 0 | 0 | 112.6 | ||||
| 81 | L | 40.7 | Very low | 43.5 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -60.7 | 150.7 | -166.8 | -68.4 | 140.9 | 0 | 0 | 0 | 116.7 | ||||
| 82 | G | 32.4 | Very low | 43.9 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 150.4 | 125.5 | 149 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 83 | G | 36.9 | Very low | 44.3 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 106.1 | 94.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 84 | A | 42.9 | Very low | 45 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -57.1 | 131.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 85 | M | 44 | Very low | 46 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -151.4 | 128.8 | 150.5 | -84.1 | -60.7 | 97.2 | 0 | 0 | 108.8 | G87 | M85-G87 PolarHBondContact O-N 3.08Š| ||
| 86 | S | 52.8 | Low | 46.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -63.7 | 99.3 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | G | 41.5 | Very low | 47.3 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -97.6 | 118.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | M85 | M85-G87 PolarHBondContact O-N 3.08Š| ||
| 88 | R | 51.3 | Low | 47.7 | Very low | 230 Ų | 230 | 131.4 Ų | 131.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -44.8 | 138.5 | 174.3 | -67.5 | 172.8 | 168.9 | 179 | -4.7 | 111.5 | I90 | R88-I90 PolarHBondContact O-N 3.05Å; R88-I90 VanDerWaalsContact O-N 3.14Å | ||
| 89 | P | 43.9 | Very low | 47.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 120.9 | 174.3 | 26.3 | -30.9 | 0 | 0 | 0 | 108.9 | V91 | P89-V91 PolarHBondContact O-N 3.11Š| ||
| 90 | I | 48.8 | Very low | 46.6 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -68 | 101.5 | 169.4 | -64.7 | 172.2 | 0 | 0 | 0 | 106.3 | R88 L92 | R88-I90 PolarHBondContact O-N 3.05Å; R88-I90 VanDerWaalsContact O-N 3.14Å; I90-L92 HydrophobicContact CG2-CD2 4.46Å; I90-L92 PolarHBondContact O-N 2.76Å; I90-L92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | V | 52.6 | Low | 46.8 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 103.2 | 169.8 | 178.2 | 0 | 0 | 0 | 0 | 107 | P89 P93 | P89-V91 PolarHBondContact O-N 3.11Å; V91-P93 WeakPolarHBondContact O-CD 3.39Å | ||
| 92 | L | 48.3 | Very low | 47.1 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 122.9 | 166.7 | -67.1 | 174.1 | 0 | 0 | 0 | 107.7 | I90 A94 | I90-L92 HydrophobicContact CG2-CD2 4.46Å; I90-L92 PolarHBondContact O-N 2.76Å; I90-L92 VanDerWaalsContact O-N 3.1Å; L92-A94 PolarHBondContact O-N 3.13Å | ||
| 93 | P | 52.7 | Low | 47.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | -69.5 | 99.9 | 171.9 | 27.1 | -30.2 | 0 | 0 | 0 | 107.8 | V91 R95 | V91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 2.82Å | ||
| 94 | A | 54.8 | Low | 48.7 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -64.1 | 97.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.1 | L92 S96 | L92-A94 PolarHBondContact O-N 3.13Å; A94-S96 PolarHBondContact O-N 2.76Å | ||
| 95 | R | 59 | Low | 49.5 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | trans | -66.6 | 103.4 | 169.2 | -67.8 | -170.7 | -172.4 | -141.1 | 7.2 | 106.9 | P93 F97 | P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 2.82Å; R95-F97 HydrophobicContact CB-CD2 3.57Å; R95-F97 HydrophobicContact CB-CE2 3.31Å; R95-F97 HydrophobicContact CB-CZ 4.19Å; R95-F97 VanDerWaalsContact CD-CE2 3.48Å; R95-F97 HydrophobicContact CG-CE2 4.04Å; R95-F97 WeakPolarHBondContact O-CD2 3.33Å; R95-F97 PolarHBondContact O-N 3.25Å | ||
| 96 | S | 56.3 | Low | 50.9 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 75.4 | 170.9 | 174.1 | 0 | 0 | 0 | 0 | 109.4 | A94 F98 N99 | A94-S96 PolarHBondContact O-N 2.76Å; S96-F98 PolarHBondContact O-N 3.17Å; S96-N99 PolarHBondContact OG-ND2 2.86Å | ||
| 97 | F | 49.7 | Very low | 52.4 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 64% | 0.64 | 68% | 0.675 | S | S | * | * | trans | -74.6 | 108 | 167.9 | -74 | -77.6 | 0 | 0 | 0 | 107.5 | R95 | R95-F97 HydrophobicContact CB-CD2 3.57Å; R95-F97 HydrophobicContact CB-CE2 3.31Å; R95-F97 HydrophobicContact CB-CZ 4.19Å; R95-F97 VanDerWaalsContact CD-CE2 3.48Å; R95-F97 HydrophobicContact CG-CE2 4.04Å; R95-F97 WeakPolarHBondContact O-CD2 3.33Å; R95-F97 PolarHBondContact O-N 3.25Å | ||
| 98 | F | 48.1 | Very low | 54.5 | Low | 164 Ų | 164 | 123.7 Ų | 123.7 | 72% | 0.719 | 65% | 0.648 | S | S | * | * | trans | 74.6 | 90.4 | 174.9 | -49.6 | -80.7 | 0 | 0 | 0 | 115.7 | S96 L100 | S96-F98 PolarHBondContact O-N 3.17Å; F98-L100 HydrophobicContact CB-CB 4.07Å; F98-L100 PolarHBondContact O-N 3.18Å | ||
| 99 | N | 37.2 | Very low | 56.3 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | trans | -67.1 | 64.6 | 146.4 | -79.2 | -56.1 | 0 | 0 | 0 | 108.9 | S96 T101 | S96-N99 PolarHBondContact OG-ND2 2.86Å; N99-T101 PolarHBondContact O-N 3.23Å | ||
| 100 | L | 45.8 | Very low | 58.5 | Low | 119 Ų | 119 | 110.7 Ų | 110.7 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | trans | -84.5 | 11 | 176.5 | -154.1 | 70.9 | 0 | 0 | 0 | 111.7 | F98 L104 | F98-L100 HydrophobicContact CB-CB 4.07Å; F98-L100 PolarHBondContact O-N 3.18Å; L100-L104 WeakPolarHBondContact O-CD2 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å | ||
| 101 | T | 43 | Very low | 60.5 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -95.6 | -20.6 | -178.4 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | N99 S103 L104 | N99-T101 PolarHBondContact O-N 3.23Å; T101-S103 VanDerWaalsContact C-N 3.31Å; T101-S103 PolarHBondContact O-N 3.32Å; T101-L104 VanDerWaalsContact CA-CD1 3.5Å; T101-L104 HydrophobicContact CG2-CD1 3.8Å; T101-L104 WeakPolarHBondContact O-CD1 3.24Å; T101-L104 WeakPolarHBondContact O-CG 3.45Å |
| 102 | D | 46.8 | Very low | 62.3 | Low | 165 Ų | 165 | 99.6 Ų | 99.6 | 88% | 0.882 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6 | -177.3 | -118.5 | 8.9 | 0 | 0 | 0 | 113.9 | ||
| 103 | S | 50.5 | Low | 64.5 | Low | 89 Ų | 89 | 97.5 Ų | 97.5 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 33.3 | 179.3 | -164 | 0 | 0 | 0 | 0 | 112 | T101 | T101-S103 VanDerWaalsContact C-N 3.31Å; T101-S103 PolarHBondContact O-N 3.32Å |
| 104 | L | 52.9 | Low | 66.3 | Low | 70 Ų | 70 | 93.8 Ų | 93.8 | 37% | 0.366 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -90.9 | -7.8 | -166.8 | -79.2 | -179.5 | 0 | 0 | 0 | 117.1 | L100 T101 L223 | L100-L104 WeakPolarHBondContact O-CD2 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; T101-L104 VanDerWaalsContact CA-CD1 3.5Å; T101-L104 HydrophobicContact CG2-CD1 3.8Å; T101-L104 WeakPolarHBondContact O-CD1 3.24Å; T101-L104 WeakPolarHBondContact O-CG 3.45Å; L104-L223 HydrophobicContact CB-CD2 4.26Å; L104-L223 HydrophobicContact CD2-CD1 3.23Å; L104-L223 HydrophobicContact CD2-CD2 3.39Å; L104-L223 HydrophobicContact CD2-CG 3.89Å; L104-L223 HydrophobicContact CG-CD2 4.38Å; L104-L223 WeakPolarHBondContact O-CD2 3.29Å |
| 105 | S | 60.1 | Low | 68.2 | Low | 71 Ų | 71 | 89.9 Ų | 89.9 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | trans | 167.2 | 72.6 | 168.8 | 35.8 | 0 | 0 | 0 | 0 | 108.5 | R107 | S105-R107 PolarHBondContact O-N 2.85Š| ||
| 106 | K | 73.5 | Confident | 69.9 | Low | 151 Ų | 151 | 80.7 Ų | 80.7 | 66% | 0.657 | 41% | 0.413 | S | S | * | . | trans | -75.6 | 115.4 | 172.4 | -158.9 | -176.8 | -178.8 | -149.9 | 0 | 108.2 | K108 T270 | K106-K108 PolarHBondContact O-N 2.83Å; K106-T270 PolarHBondContact NZ-OXT 3.04Å | ||
| 107 | R | 83.5 | Confident | 71.7 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | trans | -50.9 | 127.8 | 163.8 | 173.8 | 171.7 | 167.8 | 162.5 | -4.4 | 108.1 | S105 E109 S217 F218 E219 | S105-R107 PolarHBondContact O-N 2.85Å; R107-E109 HydrophobicContact CG-CG 4.26Å; R107-E109 IonicContact CZ-OE1 3.72Å; R107-E109 IonicContact NE-OE1 2.66Å; R107-E109 PolarHBondContact NE-OE1 3.44Å; R107-E109 IonicContact NH2-OE1 2.6Å; R107-E109 PolarHBondContact NH2-OE1 2.69Å; R107-S217 PolarHBondContact NH2-OG 2.7Å; R107-F218 WeakPolarHBondContact CA-O 3.35Å; R107-E219 HydrophobicContact CB-CB 4.46Å | ||
| 108 | K | 85.9 | Confident | 74 | Confident | 30 Ų | 30 | 70 Ų | 70 | 13% | 0.13 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 140.1 | 177.7 | -66.6 | -169.6 | 172.2 | -157.2 | 0 | 109.5 | K106 S217 F218 A229 N230 F233 | K106-K108 PolarHBondContact O-N 2.83Å; K108-S217 CarbonylContact O-C 3.5Å; K108-S217 VanDerWaalsContact O-CA 3.27Å; K108-S217 WeakPolarHBondContact O-CA 3.49Å; K108-F218 HydrophobicContact CB-CD1 4.41Å; K108-F218 HydrophobicContact CB-CE1 3.89Å; K108-F218 HydrophobicContact CB-CE2 4.08Å; K108-F218 HydrophobicContact CB-CZ 3.71Å; K108-F218 HydrophobicContact CD-CE2 3.93Å; K108-F218 HydrophobicContact CD-CZ 3.65Å; K108-F218 HydrophobicContact CG-CE2 4.36Å; K108-F218 HydrophobicContact CG-CZ 4.23Å; K108-F218 PolarHBondContact N-O 2.77Å; K108-F218 PolarHBondContact O-N 2.81Å; K108-A229 HydrophobicContact CD-CB 4.31Å; K108-A229 PolarHBondContact NZ-O 2.64Å; K108-N230 VanDerWaalsContact NZ-CA 3.27Å; K108-N230 PolarHBondContact NZ-OD1 2.68Å; K108-F233 HydrophobicContact CB-CD2 4.25Å; K108-F233 HydrophobicContact CD-CB 4.14Å; K108-F233 HydrophobicContact CD-CD2 4.17Å; K108-F233 HydrophobicContact CD-CG 4.32Å |
| 109 | E | 89.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.5 | 178.9 | -51.4 | -162.7 | 146 | 0 | 0 | 110.5 | R107 I216 H269 T270 | R107-E109 HydrophobicContact CG-CG 4.26Å; R107-E109 IonicContact CZ-OE1 3.72Å; R107-E109 IonicContact NE-OE1 2.66Å; R107-E109 PolarHBondContact NE-OE1 3.44Å; R107-E109 IonicContact NH2-OE1 2.6Å; R107-E109 PolarHBondContact NH2-OE1 2.69Å; E109-I216 WeakPolarHBondContact CA-O 3.45Å; E109-H269 WeakPolarHBondContact O-CA 3.46Å; E109-H269 WeakPolarHBondContact O-CB 3.39Å; E109-T270 PolarHBondContact N-O 3.38Å; E109-T270 PolarHBondContact O-N 3.14Å; E109-T270 VanDerWaalsContact O-N 3.12Å |
| 110 | Y | 88.9 | Confident | 79.1 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.3 | 171.9 | 171.6 | -100.1 | 0 | 0 | 0 | 108 | E112 F214 A215 I216 V236 V237 V267 H268 H269 | Y110-E112 HydrophobicContact CE1-CB 3.88Å; Y110-E112 WeakPolarHBondContact OH-CG 3.28Å; Y110-E112 PolarHBondContact OH-OE2 3.4Å; Y110-F214 AromaticContact CD1-CD1 3.89Å; Y110-F214 HydrophobicContact CD1-CD1 3.89Å; Y110-F214 AromaticContact CD1-CE1 3.63Å; Y110-F214 HydrophobicContact CD1-CE1 3.63Å; Y110-F214 AromaticContact CE1-CD1 3.67Å; Y110-F214 HydrophobicContact CE1-CD1 3.67Å; Y110-F214 AromaticContact CE1-CE1 3.67Å; Y110-F214 HydrophobicContact CE1-CE1 3.67Å; Y110-A215 CarbonylContact O-C 3.57Å; Y110-A215 WeakPolarHBondContact O-CA 3.44Å; Y110-I216 HydrophobicContact CD1-CG2 3.96Å; Y110-I216 HydrophobicContact CG-CG2 4.42Å; Y110-I216 PolarHBondContact N-O 3.46Å; Y110-I216 PolarHBondContact O-N 3.31Å; Y110-V236 HydrophobicContact CD1-CG1 3.63Å; Y110-V236 HydrophobicContact CE1-CG1 4.09Å; Y110-V236 HydrophobicContact CG-CG1 4.14Å; Y110-V237 HydrophobicContact CD2-CB 4.33Å; Y110-V237 HydrophobicContact CD2-CG2 3.45Å; Y110-V237 VanDerWaalsContact CD2-CG2 3.45Å; Y110-V237 HydrophobicContact CE2-CB 3.95Å; Y110-V237 HydrophobicContact CE2-CG1 4.01Å; Y110-V237 HydrophobicContact CE2-CG2 3.57Å; Y110-V237 HydrophobicContact CG-CG2 4.2Å; Y110-V267 HydrophobicContact CD2-CG1 4.15Å; Y110-V267 HydrophobicContact CE2-CG1 3.47Å; Y110-V267 VanDerWaalsContact CE2-CG1 3.47Å; Y110-H268 WeakPolarHBondContact CA-O 3.39Å; Y110-H269 HydrophobicContact CD2-CB 4.26Å |
| 111 | S | 91.8 | Very high | 81.6 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.6 | 170.1 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | F214 V267 H268 | S111-F214 CarbonylContact C-O 3.48Å; S111-F214 WeakPolarHBondContact CA-O 3.27Å; S111-F214 WeakPolarHBondContact CB-O 3.2Å; S111-V267 WeakPolarHBondContact O-CA 3.39Å; S111-H268 PolarHBondContact N-O 3.44Å; S111-H268 PolarHBondContact O-N 3.1Å; S111-H268 WeakPolarHBondContact OG-CB 3.35Å |
| 112 | E | 90.8 | Very high | 84.2 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 130.6 | -176.3 | -150.5 | -150.9 | 129.7 | 0 | 0 | 110.3 | Y110 R114 F214 V241 H265 E266 V267 | Y110-E112 HydrophobicContact CE1-CB 3.88Å; Y110-E112 WeakPolarHBondContact OH-CG 3.28Å; Y110-E112 PolarHBondContact OH-OE2 3.4Å; E112-R114 IonicContact OE1-CZ 2.83Å; E112-R114 IonicContact OE1-NE 3.68Å; E112-R114 PolarHBondContact OE1-NE 2.77Å; E112-R114 IonicContact OE1-NH2 3.61Å; E112-R114 PolarHBondContact OE1-NH2 3.42Å; E112-R114 IonicContact OE2-CZ 3.2Å; E112-R114 IonicContact OE2-NE 3.89Å; E112-R114 IonicContact OE2-NH2 3.76Å; E112-R114 PolarHBondContact OE2-NH2 2.95Å; E112-F214 HydrophobicContact CB-CB 4.42Å; E112-F214 HydrophobicContact CB-CD1 4.41Å; E112-F214 PolarHBondContact N-O 2.87Å; E112-F214 PolarHBondContact O-N 2.84Å; E112-V241 VanDerWaalsContact OE2-CG2 3.3Å; E112-V241 WeakPolarHBondContact OE2-CG2 3.39Å; E112-H265 IonicContact OE1-CE1 3.03Å; E112-H265 PolarHBondContact OE1-CE1 3.02Å; E112-H265 IonicContact OE1-ND1 3.08Å; E112-H265 PolarHBondContact OE1-ND1 2.92Å; E112-E266 CarbonylContact C-O 3.56Å; E112-E266 VanDerWaalsContact CA-O 3.27Å; E112-E266 WeakPolarHBondContact CA-O 3.5Å; E112-V267 HydrophobicContact CG-CG2 3.85Å |
| 113 | R | 93.2 | Very high | 86.6 | Confident | 98 Ų | 98 | 45.3 Ų | 45.3 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.7 | 173.7 | -169.6 | -178.2 | -175.2 | -175.5 | -0.9 | 109.8 | T211 V212 D213 F264 H265 E266 | R113-T211 HydrophobicContact CG-CG2 4.04Å; R113-V212 VanDerWaalsContact CA-O 3.31Å; R113-V212 WeakPolarHBondContact CA-O 3.37Å; R113-D213 WeakPolarHBondContact CD-OD1 3.17Å; R113-D213 WeakPolarHBondContact CG-OD1 3.5Å; R113-D213 IonicContact CZ-OD1 2.69Å; R113-D213 IonicContact NE-OD1 2.74Å; R113-D213 PolarHBondContact NE-OD1 2.78Å; R113-D213 VanDerWaalsContact NE-OD1 3.16Å; R113-F264 HydrophobicContact CG-CE2 3.87Å; R113-H265 WeakPolarHBondContact O-CA 3.25Å; R113-E266 HydrophobicContact CB-CB 4.34Å; R113-E266 PolarHBondContact N-O 3.31Å; R113-E266 PolarHBondContact O-N 2.96Å |
| 114 | R | 91.8 | Very high | 88.8 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.6 | 178.5 | 67.1 | 168.2 | 76.9 | 178.8 | -3.2 | 112.9 | E112 I116 V212 V241 S242 E245 F264 | E112-R114 IonicContact OE1-CZ 2.83Å; E112-R114 IonicContact OE1-NE 3.68Å; E112-R114 PolarHBondContact OE1-NE 2.77Å; E112-R114 IonicContact OE1-NH2 3.61Å; E112-R114 PolarHBondContact OE1-NH2 3.42Å; E112-R114 IonicContact OE2-CZ 3.2Å; E112-R114 IonicContact OE2-NE 3.89Å; E112-R114 IonicContact OE2-NH2 3.76Å; E112-R114 PolarHBondContact OE2-NH2 2.95Å; R114-I116 HydrophobicContact CG-CG2 3.85Å; R114-V212 PolarHBondContact N-O 2.89Å; R114-V212 PolarHBondContact O-N 3.16Å; R114-V241 VanDerWaalsContact CD-CG1 3.49Å; R114-V241 HydrophobicContact CG-CG1 4.22Å; R114-V241 VanDerWaalsContact CZ-CB 3.41Å; R114-V241 VanDerWaalsContact NE-CG1 3.29Å; R114-S242 PolarHBondContact NH1-OG 3.21Å; R114-E245 WeakPolarHBondContact CD-OE1 3.2Å; R114-E245 IonicContact CZ-OE1 2.81Å; R114-E245 IonicContact NE-OE1 3.08Å; R114-E245 IonicContact NH1-OE1 2.77Å; R114-E245 PolarHBondContact NH1-OE1 3.34Å; R114-E245 IonicContact NH1-OE2 2.64Å; R114-E245 PolarHBondContact NH1-OE2 3.41Å; R114-E245 VanDerWaalsContact NH1-OE2 3.08Å; R114-F264 WeakPolarHBondContact CA-O 3.07Å |
| 115 | I | 93.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.9 | 164.1 | -61.5 | 169.6 | 0 | 0 | 0 | 109 | L203 C210 I258 L262 F264 | I115-L203 HydrophobicContact CD1-CD1 4.29Å; I115-L203 HydrophobicContact CD1-CD2 3.64Å; I115-L203 HydrophobicContact CD1-CG 3.84Å; I115-L203 HydrophobicContact CG2-CD1 4.32Å; I115-L203 HydrophobicContact CG2-CG 4.31Å; I115-C210 WeakPolarHBondContact CA-O 3.13Å; I115-I258 HydrophobicContact CG2-CD1 3.73Å; I115-L262 VanDerWaalsContact CD1-O 3.32Å; I115-L262 WeakPolarHBondContact CD1-O 3.42Å; I115-F264 HydrophobicContact CD1-CD1 3.44Å; I115-F264 VanDerWaalsContact CD1-CD1 3.44Å; I115-F264 HydrophobicContact CD1-CE1 3.11Å; I115-F264 HydrophobicContact CD1-CG 4.49Å; I115-F264 HydrophobicContact CD1-CZ 3.94Å; I115-F264 HydrophobicContact CG1-CD1 3.92Å; I115-F264 HydrophobicContact CG1-CE1 3.43Å; I115-F264 VanDerWaalsContact CG1-CE1 3.43Å; I115-F264 HydrophobicContact CG1-CE2 4.46Å; I115-F264 HydrophobicContact CG1-CZ 3.72Å |
| 116 | I | 93.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.6 | 175.7 | 65.9 | 170.5 | 0 | 0 | 0 | 112 | R114 Y118 I123 T209 C210 V212 E245 I258 | R114-I116 HydrophobicContact CG-CG2 3.85Å; I116-Y118 HydrophobicContact CD1-CD2 4.33Å; I116-Y118 PolarHBondContact O-N 3.22Å; I116-I123 HydrophobicContact CD1-CB 3.69Å; I116-I123 HydrophobicContact CD1-CD1 3.73Å; I116-I123 HydrophobicContact CD1-CG1 3.51Å; I116-I123 HydrophobicContact CD1-CG2 4.05Å; I116-T209 WeakPolarHBondContact O-CA 3.32Å; I116-C210 HydrophobicContact CG1-CB 4.06Å; I116-C210 PolarHBondContact N-O 2.84Å; I116-C210 PolarHBondContact O-N 2.76Å; I116-C210 VanDerWaalsContact O-N 3.13Å; I116-V212 HydrophobicContact CD1-CG2 3.55Å; I116-V212 HydrophobicContact CG1-CG2 3.89Å; I116-V212 HydrophobicContact CG2-CG2 4.37Å; I116-E245 HydrophobicContact CG2-CG 4.23Å; I116-E245 WeakPolarHBondContact CG2-OE1 3.43Å; I116-I258 VanDerWaalsContact C-CD1 3.48Å |
| 117 | G | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.2 | 37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R208 E255 T256 | G117-R208 CarbonylContact C-O 3.09Å; G117-E255 WeakPolarHBondContact O-CA 3.08Å; G117-T256 PolarHBondContact O-N 3.49Å |
| 118 | Y | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -135.5 | 151.1 | 174.6 | -62.1 | -82.3 | 0 | 0 | 0 | 109.4 | I116 R208 T209 C210 A248 S249 H252 G253 E255 | I116-Y118 HydrophobicContact CD1-CD2 4.33Å; I116-Y118 PolarHBondContact O-N 3.22Å; Y118-R208 CarbonylContact C-O 3.58Å; Y118-R208 VanDerWaalsContact C-O 3.28Å; Y118-R208 WeakPolarHBondContact CA-O 3.4Å; Y118-R208 PolarHBondContact N-O 2.82Å; Y118-R208 VanDerWaalsContact N-O 3.14Å; Y118-T209 CarbonylContact O-C 3.59Å; Y118-T209 VanDerWaalsContact O-CA 3.3Å; Y118-T209 WeakPolarHBondContact O-CA 3.3Å; Y118-C210 WeakPolarHBondContact O-CB 3.46Å; Y118-C210 PolarHBondContact O-N 3.49Å; Y118-A248 HydrophobicContact CD1-CB 4.14Å; Y118-A248 HydrophobicContact CD2-CB 4.06Å; Y118-A248 HydrophobicContact CE1-CB 3.98Å; Y118-A248 HydrophobicContact CE2-CB 3.92Å; Y118-A248 HydrophobicContact CG-CB 4.18Å; Y118-S249 WeakPolarHBondContact OH-CA 3.31Å; Y118-S249 VanDerWaalsContact OH-CB 3.27Å; Y118-S249 WeakPolarHBondContact OH-CB 3.5Å; Y118-S249 PolarHBondContact OH-N 3.48Å; Y118-H252 HydrophobicContact CD1-CB 4.36Å; Y118-H252 HydrophobicContact CE1-CB 4.3Å; Y118-G253 PolarHBondContact OH-O 3.36Å; Y118-E255 HydrophobicContact CD2-CB 4.4Å; Y118-E255 HydrophobicContact CE1-CB 4.43Å; Y118-E255 HydrophobicContact CE2-CB 3.65Å; Y118-E255 PolarHBondContact OH-N 2.71Å |
| 119 | S | 96.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 28 Ų | 28 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | trans | -67.3 | 159.3 | 173.1 | 66 | 0 | 0 | 0 | 0 | 111.7 | Q121 E122 I123 | S119-Q121 PolarHBondContact O-N 3.28Å; S119-E122 WeakPolarHBondContact CB-OE2 3.47Å; S119-E122 PolarHBondContact N-OE2 2.89Å; S119-E122 PolarHBondContact O-N 3.2Å; S119-E122 VanDerWaalsContact OG-CD 3.31Å; S119-E122 WeakPolarHBondContact OG-CG 3.32Å; S119-E122 PolarHBondContact OG-N 3.26Å; S119-E122 PolarHBondContact OG-OE2 3.26Å; S119-I123 PolarHBondContact O-N 3.39Å; S119-I123 VanDerWaalsContact O-N 3.15Å | ||
| 120 | M | 97.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 24.8 Ų | 24.8 | 14% | 0.143 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.2 | -41.1 | 176 | -66 | 169.5 | 59.1 | 0 | 0 | 112.1 | I123 Y124 P177 H178 F199 S200 P201 C210 | M120-I123 WeakPolarHBondContact O-CG2 3.46Å; M120-Y124 WeakPolarHBondContact O-CB 3.45Å; M120-Y124 PolarHBondContact O-N 3.45Å; M120-P177 HydrophobicContact CE-CG 4.22Å; M120-H178 WeakPolarHBondContact CE-ND1 3.29Å; M120-F199 HydrophobicContact CB-CB 4.31Å; M120-F199 HydrophobicContact CE-CB 4.31Å; M120-F199 VanDerWaalsContact CE-O 3.29Å; M120-F199 WeakPolarHBondContact CE-O 3.32Å; M120-F199 HydrophobicContact CG-CB 4.34Å; M120-S200 VanDerWaalsContact SD-C 3.53Å; M120-P201 HydrophobicContact SD-CB 4.47Å; M120-P201 HydrophobicContact SD-CG 3.98Å; M120-P201 VanDerWaalsContact SD-N 3.4Å; M120-C210 HydrophobicContact CG-CB 4.12Å; M120-C210 VanDerWaalsContact CG-SG 3.53Å |
| 121 | Q | 97.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 26.7 Ų | 26.7 | 36% | 0.355 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.9 | -45.5 | -178.5 | 177.9 | 63.7 | 34.5 | 0 | 0 | 111.7 | S119 Y124 D125 | S119-Q121 PolarHBondContact O-N 3.28Å; Q121-Y124 PolarHBondContact O-N 3.06Å; Q121-D125 PolarHBondContact NE2-OD1 3.15Å; Q121-D125 PolarHBondContact NE2-OD2 3.14Å; Q121-D125 WeakPolarHBondContact O-CB 3.44Å; Q121-D125 PolarHBondContact O-N 3.29Å |
| 122 | E | 97.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 13% | 0.131 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 179.2 | -73 | 167.5 | 128.9 | 0 | 0 | 111.3 | S119 Y124 D125 V126 R208 H252 | S119-E122 WeakPolarHBondContact CB-OE2 3.47Å; S119-E122 PolarHBondContact N-OE2 2.89Å; S119-E122 PolarHBondContact O-N 3.2Å; S119-E122 VanDerWaalsContact OG-CD 3.31Å; S119-E122 WeakPolarHBondContact OG-CG 3.32Å; S119-E122 PolarHBondContact OG-N 3.26Å; S119-E122 PolarHBondContact OG-OE2 3.26Å; E122-Y124 PolarHBondContact O-N 3.41Å; E122-D125 PolarHBondContact O-N 3.2Å; E122-V126 WeakPolarHBondContact O-CG2 3.45Å; E122-V126 PolarHBondContact O-N 3.01Å; E122-R208 IonicContact OE1-CZ 3.94Å; E122-R208 VanDerWaalsContact OE1-CZ 3.25Å; E122-R208 IonicContact OE1-NE 2.77Å; E122-R208 PolarHBondContact OE1-NE 2.97Å; E122-R208 IonicContact OE1-NH2 3.16Å; E122-R208 PolarHBondContact OE1-NH2 2.75Å; E122-R208 WeakPolarHBondContact OE2-CG 3.43Å; E122-R208 IonicContact OE2-NE 2.7Å; E122-R208 PolarHBondContact OE2-NE 3.19Å; E122-H252 HydrophobicContact CG-CB 4.41Å; E122-H252 PolarHBondContact O-NE2 2.77Å; E122-H252 IonicContact OE1-CG 3.95Å |
| 123 | I | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.6 | -36.8 | -179.4 | -165.7 | 66.6 | 0 | 0 | 0 | 111.9 | I116 S119 M120 D125 V126 V127 F199 C210 V212 F244 A248 | I116-I123 HydrophobicContact CD1-CB 3.69Å; I116-I123 HydrophobicContact CD1-CD1 3.73Å; I116-I123 HydrophobicContact CD1-CG1 3.51Å; I116-I123 HydrophobicContact CD1-CG2 4.05Å; S119-I123 PolarHBondContact O-N 3.39Å; S119-I123 VanDerWaalsContact O-N 3.15Å; M120-I123 WeakPolarHBondContact O-CG2 3.46Å; I123-D125 VanDerWaalsContact C-N 3.29Å; I123-D125 PolarHBondContact O-N 2.81Å; I123-V126 PolarHBondContact O-N 2.87Å; I123-V127 HydrophobicContact CG1-CG2 4.47Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.03Å; I123-F199 HydrophobicContact CB-CE1 4.33Å; I123-F199 HydrophobicContact CG1-CE1 3.99Å; I123-F199 HydrophobicContact CG2-CD1 3.4Å; I123-F199 VanDerWaalsContact CG2-CD1 3.4Å; I123-F199 HydrophobicContact CG2-CE1 3.55Å; I123-F199 HydrophobicContact CG2-CG 4.26Å; I123-F199 HydrophobicContact CG2-CZ 4.49Å; I123-C210 HydrophobicContact CG2-CB 4.43Å; I123-V212 HydrophobicContact CG1-CG2 4.4Å; I123-V212 HydrophobicContact CG2-CG2 4.42Å; I123-F244 HydrophobicContact CD1-CB 4.4Å; I123-A248 HydrophobicContact CD1-CB 4.34Å |
| 124 | Y | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 174.3 | 172.7 | -80.5 | 0 | 0 | 0 | 110.9 | M120 Q121 E122 V126 V127 A128 T174 R176 P177 V180 F199 | M120-Y124 WeakPolarHBondContact O-CB 3.45Å; M120-Y124 PolarHBondContact O-N 3.45Å; Q121-Y124 PolarHBondContact O-N 3.06Å; E122-Y124 PolarHBondContact O-N 3.41Å; Y124-V126 VanDerWaalsContact C-N 3.3Å; Y124-V126 PolarHBondContact O-N 2.86Å; Y124-V127 PolarHBondContact O-N 3.39Å; Y124-A128 HydrophobicContact CD1-CB 4.17Å; Y124-A128 HydrophobicContact CE1-CB 3.67Å; Y124-A128 VanDerWaalsContact O-CB 3.25Å; Y124-A128 WeakPolarHBondContact O-CB 3.44Å; Y124-A128 PolarHBondContact O-N 3.29Å; Y124-T174 VanDerWaalsContact OH-CB 3.28Å; Y124-T174 WeakPolarHBondContact OH-CB 3.37Å; Y124-T174 PolarHBondContact OH-OG1 2.84Å; Y124-R176 HydrophobicContact CD1-CG 4.22Å; Y124-R176 HydrophobicContact CE1-CB 3.97Å; Y124-R176 HydrophobicContact CE1-CG 3.86Å; Y124-R176 HydrophobicContact CE2-CB 4.24Å; Y124-P177 VanDerWaalsContact CD2-C 3.48Å; Y124-P177 HydrophobicContact CG-CB 4.25Å; Y124-V180 HydrophobicContact CD2-CG2 3.98Å; Y124-V180 HydrophobicContact CE2-CG2 3.73Å; Y124-F199 AromaticContact CD2-CD2 3.98Å; Y124-F199 HydrophobicContact CD2-CD2 3.98Å; Y124-F199 AromaticContact CD2-CE2 3.8Å; Y124-F199 HydrophobicContact CD2-CE2 3.8Å; Y124-F199 HydrophobicContact CG-CE2 4.39Å |
| 125 | D | 96.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | -178.9 | -77.8 | -31.5 | 0 | 0 | 0 | 111.7 | Q121 E122 I123 Q129 R176 | Q121-D125 PolarHBondContact NE2-OD1 3.15Å; Q121-D125 PolarHBondContact NE2-OD2 3.14Å; Q121-D125 WeakPolarHBondContact O-CB 3.44Å; Q121-D125 PolarHBondContact O-N 3.29Å; E122-D125 PolarHBondContact O-N 3.2Å; I123-D125 VanDerWaalsContact C-N 3.29Å; I123-D125 PolarHBondContact O-N 2.81Å; D125-Q129 WeakPolarHBondContact O-CB 3.16Å; D125-Q129 PolarHBondContact O-N 3.12Å; D125-R176 IonicContact OD1-CZ 3.43Å; D125-R176 IonicContact OD1-NH1 2.69Å; D125-R176 PolarHBondContact OD1-NH1 2.93Å; D125-R176 IonicContact OD1-NH2 3.73Å; D125-R176 PolarHBondContact OD1-NH2 2.84Å; D125-R176 IonicContact OD2-NH1 3.71Å |
| 126 | V | 97.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -44 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | E122 I123 Y124 F136 F244 R247 A248 I251 | E122-V126 WeakPolarHBondContact O-CG2 3.45Å; E122-V126 PolarHBondContact O-N 3.01Å; I123-V126 PolarHBondContact O-N 2.87Å; Y124-V126 VanDerWaalsContact C-N 3.3Å; Y124-V126 PolarHBondContact O-N 2.86Å; V126-F136 HydrophobicContact CG1-CZ 4.25Å; V126-F244 HydrophobicContact CG1-CD1 3.97Å; V126-R247 HydrophobicContact CG1-CB 3.87Å; V126-R247 HydrophobicContact CG1-CG 3.61Å; V126-A248 HydrophobicContact CG2-CB 4.02Å; V126-I251 HydrophobicContact CG2-CD1 4.28Å |
| 127 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.1 | -36.4 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | I123 Y124 Q129 Y133 V180 W197 F199 F244 | I123-V127 HydrophobicContact CG1-CG2 4.47Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.03Å; Y124-V127 PolarHBondContact O-N 3.39Å; V127-Q129 PolarHBondContact O-N 3.44Å; V127-Y133 PolarHBondContact O-OH 3.16Å; V127-V180 HydrophobicContact CG1-CB 3.84Å; V127-V180 HydrophobicContact CG1-CG1 3.97Å; V127-V180 HydrophobicContact CG1-CG2 3.99Å; V127-W197 HydrophobicContact CG1-CB 4.12Å; V127-W197 HydrophobicContact CG1-CD2 3.86Å; V127-W197 HydrophobicContact CG1-CG 3.64Å; V127-W197 HydrophobicContact CG2-CD2 4.07Å; V127-W197 HydrophobicContact CG2-CE3 3.98Å; V127-W197 HydrophobicContact CG2-CZ3 4.24Å; V127-F199 HydrophobicContact CB-CZ 4.01Å; V127-F199 HydrophobicContact CG1-CZ 4.24Å; V127-F199 HydrophobicContact CG2-CE1 4.4Å; V127-F199 HydrophobicContact CG2-CZ 3.94Å; V127-F244 HydrophobicContact CB-CD1 4.43Å; V127-F244 HydrophobicContact CB-CE1 4.36Å; V127-F244 HydrophobicContact CG2-CD1 3.54Å; V127-F244 HydrophobicContact CG2-CE1 3.89Å; V127-F244 HydrophobicContact CG2-CG 4.32Å |
| 128 | A | 96.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71 | -21.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y124 V130 R148 V180 | Y124-A128 HydrophobicContact CD1-CB 4.17Å; Y124-A128 HydrophobicContact CE1-CB 3.67Å; Y124-A128 VanDerWaalsContact O-CB 3.25Å; Y124-A128 WeakPolarHBondContact O-CB 3.44Å; Y124-A128 PolarHBondContact O-N 3.29Å; A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.41Å; A128-R148 PolarHBondContact O-NH2 3.48Å; A128-V180 HydrophobicContact CB-CG2 4.27Å |
| 129 | Q | 95.8 | Very high | 94.7 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 38% | 0.379 | 18% | 0.179 | S | C | . | . | trans | -85.7 | 62.6 | -176 | -159.5 | 102.1 | 39.1 | 0 | 0 | 112.5 | D125 V127 E131 N132 | D125-Q129 WeakPolarHBondContact O-CB 3.16Å; D125-Q129 PolarHBondContact O-N 3.12Å; V127-Q129 PolarHBondContact O-N 3.44Å; Q129-E131 VanDerWaalsContact C-OE2 3.24Å; Q129-E131 HydrophobicContact CG-CG 4.09Å; Q129-E131 PolarHBondContact NE2-OE1 3.46Å; Q129-E131 PolarHBondContact O-N 2.79Å; Q129-E131 VanDerWaalsContact O-N 3.12Å; Q129-N132 HydrophobicContact CG-CB 4.47Å; Q129-N132 WeakPolarHBondContact CG-ND2 3.4Å; Q129-N132 PolarHBondContact O-N 3.18Å | ||
| 130 | V | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -52.9 | -34 | -174.5 | -179.3 | 0 | 0 | 0 | 0 | 113.9 | A128 N132 Y133 S143 A155 L157 I172 | A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.41Å; V130-N132 PolarHBondContact O-N 3.33Å; V130-N132 VanDerWaalsContact O-N 3.09Å; V130-Y133 HydrophobicContact CG1-CD2 4.27Å; V130-Y133 HydrophobicContact CG1-CE2 4.45Å; V130-Y133 VanDerWaalsContact O-CB 3.31Å; V130-Y133 WeakPolarHBondContact O-CB 3.27Å; V130-Y133 PolarHBondContact O-N 3.19Å; V130-S143 VanDerWaalsContact O-CB 3.25Å; V130-S143 WeakPolarHBondContact O-CB 3.38Å; V130-S143 PolarHBondContact O-OG 2.79Å; V130-A155 HydrophobicContact CG1-CB 3.84Å; V130-L157 HydrophobicContact CG1-CD2 3.92Å; V130-I172 HydrophobicContact CG2-CD1 4.41Å; V130-I172 HydrophobicContact CG2-CG1 4.28Å |
| 131 | E | 95.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.1 | -23.7 | 178 | 58.5 | -91.1 | -139.2 | 0 | 0 | 114 | Q129 S143 V145 R148 | Q129-E131 VanDerWaalsContact C-OE2 3.24Å; Q129-E131 HydrophobicContact CG-CG 4.09Å; Q129-E131 PolarHBondContact NE2-OE1 3.46Å; Q129-E131 PolarHBondContact O-N 2.79Å; Q129-E131 VanDerWaalsContact O-N 3.12Å; E131-S143 PolarHBondContact O-OG 3.04Å; E131-V145 HydrophobicContact CB-CG2 4.05Å; E131-R148 IonicContact OE1-CZ 3.19Å; E131-R148 IonicContact OE1-NH1 3.25Å; E131-R148 PolarHBondContact OE1-NH1 3.41Å; E131-R148 IonicContact OE1-NH2 2.85Å; E131-R148 IonicContact OE2-CZ 2.88Å; E131-R148 IonicContact OE2-NH1 2.74Å; E131-R148 PolarHBondContact OE2-NH1 3.01Å; E131-R148 IonicContact OE2-NH2 3.32Å; E131-R148 PolarHBondContact OE2-NH2 2.85Å |
| 132 | N | 96.1 | Very high | 94 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -89.3 | -6.7 | -179.2 | -74.7 | -21.7 | 0 | 0 | 0 | 113.4 | Q129 V130 R134 H135 F136 | Q129-N132 HydrophobicContact CG-CB 4.47Å; Q129-N132 WeakPolarHBondContact CG-ND2 3.4Å; Q129-N132 PolarHBondContact O-N 3.18Å; V130-N132 PolarHBondContact O-N 3.33Å; V130-N132 VanDerWaalsContact O-N 3.09Å; N132-R134 PolarHBondContact O-N 2.79Å; N132-H135 WeakPolarHBondContact O-CB 3.42Å; N132-H135 PolarHBondContact O-CD2 2.86Å; N132-H135 PolarHBondContact O-N 2.91Å; N132-F136 HydrophobicContact CB-CE1 4.19Å; N132-F136 VanDerWaalsContact O-CD1 3.27Å; N132-F136 WeakPolarHBondContact O-CD1 3.37Å; N132-F136 WeakPolarHBondContact O-CE1 3.3Å |
| 133 | Y | 95.5 | Very high | 94 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -35.6 | -172.1 | -77.3 | 14.3 | 0 | 0 | 0 | 112.6 | V127 V130 H135 F136 V137 S143 F244 | V127-Y133 PolarHBondContact O-OH 3.16Å; V130-Y133 HydrophobicContact CG1-CD2 4.27Å; V130-Y133 HydrophobicContact CG1-CE2 4.45Å; V130-Y133 VanDerWaalsContact O-CB 3.31Å; V130-Y133 WeakPolarHBondContact O-CB 3.27Å; V130-Y133 PolarHBondContact O-N 3.19Å; Y133-H135 PolarHBondContact O-N 2.86Å; Y133-F136 AromaticContact CD1-CE1 3.93Å; Y133-F136 HydrophobicContact CD1-CE1 3.93Å; Y133-F136 AromaticContact CD1-CZ 3.79Å; Y133-F136 HydrophobicContact CD1-CZ 3.79Å; Y133-F136 HydrophobicContact CE1-CZ 4.04Å; Y133-F136 PolarHBondContact O-N 3.39Å; Y133-V137 HydrophobicContact CD1-CG2 3.93Å; Y133-V137 HydrophobicContact CD2-CG2 4.01Å; Y133-V137 HydrophobicContact CG-CB 4.46Å; Y133-V137 HydrophobicContact CG-CG2 3.63Å; Y133-V137 WeakPolarHBondContact O-CB 3.39Å; Y133-V137 PolarHBondContact O-N 2.83Å; Y133-S143 PolarHBondContact N-OG 3.33Å; Y133-F244 HydrophobicContact CD1-CE1 4.44Å; Y133-F244 AromaticContact CE1-CE1 3.6Å; Y133-F244 HydrophobicContact CE1-CE1 3.6Å; Y133-F244 AromaticContact CE1-CZ 3.87Å; Y133-F244 HydrophobicContact CE1-CZ 3.87Å; Y133-F244 HydrophobicContact CE2-CZ 4.14Å; Y133-F244 AromaticContact CZ-CE1 3.68Å; Y133-F244 AromaticContact CZ-CZ 3.62Å; Y133-F244 WeakPolarHBondContact OH-CE1 3.31Å |
| 134 | R | 94.8 | Very high | 94 | Very high | 136 Ų | 136 | 45 Ų | 45 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -53.5 | -19.9 | 174.3 | 66.5 | -179.1 | 174.2 | 138.6 | 0.9 | 115.1 | N132 S143 | N132-R134 PolarHBondContact O-N 2.79Å; R134-S143 WeakPolarHBondContact CB-OG 3.33Å; R134-S143 WeakPolarHBondContact CG-OG 3.17Å; R134-S143 PolarHBondContact N-OG 2.75Å |
| 135 | H | 94.6 | Very high | 93.9 | Very high | 107 Ų | 107 | 47.1 Ų | 47.1 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -91 | -27.1 | -175.7 | -62.4 | -58 | 0 | 0 | 0 | 113.7 | N132 Y133 | N132-H135 WeakPolarHBondContact O-CB 3.42Å; N132-H135 PolarHBondContact O-CD2 2.86Å; N132-H135 PolarHBondContact O-N 2.91Å; Y133-H135 PolarHBondContact O-N 2.86Å |
| 136 | F | 94.2 | Very high | 93.9 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -141.9 | -24 | -168.2 | 74.4 | -87.3 | 0 | 0 | 0 | 114.4 | V126 N132 Y133 P138 A243 F244 R247 | V126-F136 HydrophobicContact CG1-CZ 4.25Å; N132-F136 HydrophobicContact CB-CE1 4.19Å; N132-F136 VanDerWaalsContact O-CD1 3.27Å; N132-F136 WeakPolarHBondContact O-CD1 3.37Å; N132-F136 WeakPolarHBondContact O-CE1 3.3Å; Y133-F136 AromaticContact CD1-CE1 3.93Å; Y133-F136 HydrophobicContact CD1-CE1 3.93Å; Y133-F136 AromaticContact CD1-CZ 3.79Å; Y133-F136 HydrophobicContact CD1-CZ 3.79Å; Y133-F136 HydrophobicContact CE1-CZ 4.04Å; Y133-F136 PolarHBondContact O-N 3.39Å; F136-P138 WeakPolarHBondContact O-CD 3.38Å; F136-A243 HydrophobicContact CD2-CB 4.44Å; F136-A243 WeakPolarHBondContact CD2-O 3.36Å; F136-F244 AromaticContact CE2-CD1 3.63Å; F136-F244 HydrophobicContact CE2-CD1 3.63Å; F136-F244 HydrophobicContact CE2-CD2 4.18Å; F136-F244 AromaticContact CE2-CE1 3.66Å; F136-F244 HydrophobicContact CE2-CE1 3.66Å; F136-F244 HydrophobicContact CE2-CE2 4.21Å; F136-F244 AromaticContact CE2-CG 3.89Å; F136-F244 HydrophobicContact CE2-CG 3.89Å; F136-F244 AromaticContact CE2-CZ 3.96Å; F136-F244 HydrophobicContact CE2-CZ 3.96Å; F136-F244 AromaticContact CZ-CD1 3.89Å; F136-F244 HydrophobicContact CZ-CD1 3.89Å; F136-F244 AromaticContact CZ-CE1 3.63Å; F136-F244 HydrophobicContact CZ-CE1 3.63Å; F136-F244 HydrophobicContact CZ-CZ 4.15Å; F136-R247 HydrophobicContact CB-CB 4.38Å; F136-R247 HydrophobicContact CD1-CB 4.23Å; F136-R247 HydrophobicContact CD1-CG 3.75Å; F136-R247 HydrophobicContact CD2-CB 3.61Å; F136-R247 HydrophobicContact CD2-CG 4.04Å; F136-R247 HydrophobicContact CE1-CB 4.44Å; F136-R247 HydrophobicContact CE1-CG 3.82Å; F136-R247 HydrophobicContact CE2-CB 3.85Å; F136-R247 HydrophobicContact CE2-CG 4.11Å; F136-R247 HydrophobicContact CG-CB 3.81Å; F136-R247 HydrophobicContact CG-CG 3.86Å; F136-R247 HydrophobicContact CZ-CB 4.25Å; F136-R247 HydrophobicContact CZ-CG 4Å |
| 137 | V | 91.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.1 | 122.2 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | Y133 W139 C140 M240 F244 | Y133-V137 HydrophobicContact CD1-CG2 3.93Å; Y133-V137 HydrophobicContact CD2-CG2 4.01Å; Y133-V137 HydrophobicContact CG-CB 4.46Å; Y133-V137 HydrophobicContact CG-CG2 3.63Å; Y133-V137 WeakPolarHBondContact O-CB 3.39Å; Y133-V137 PolarHBondContact O-N 2.83Å; V137-W139 PolarHBondContact O-N 2.74Å; V137-C140 HydrophobicContact CB-CB 3.93Å; V137-C140 HydrophobicContact CG1-CB 4.09Å; V137-C140 WeakPolarHBondContact O-CB 3.29Å; V137-C140 PolarHBondContact O-N 2.92Å; V137-M240 HydrophobicContact CG1-SD 4.18Å; V137-F244 HydrophobicContact CG2-CE1 4.43Å; V137-F244 HydrophobicContact CG2-CE2 3.94Å; V137-F244 HydrophobicContact CG2-CZ 3.67Å |
| 138 | P | 84.4 | Confident | 93.7 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 140.2 | 175.9 | -28.5 | 37.5 | 0 | 0 | 0 | 111.7 | F136 C140 Q239 A243 | F136-P138 WeakPolarHBondContact O-CD 3.38Å; P138-C140 PolarHBondContact O-N 3.12Å; P138-Q239 HydrophobicContact CG-CB 3.94Å; P138-A243 HydrophobicContact CG-CB 4.19Å |
| 139 | W | 81.4 | Confident | 93.6 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -7.9 | 176.3 | -23.6 | -60.7 | 0 | 0 | 0 | 116 | V137 K141 V159 G160 F161 F232 E235 V236 Q239 M240 | V137-W139 PolarHBondContact O-N 2.74Å; W139-K141 PolarHBondContact O-N 3.46Å; W139-V159 WeakPolarHBondContact O-CA 3.47Å; W139-G160 PolarHBondContact O-N 3.43Å; W139-F161 HydrophobicContact CB-CE1 4.07Å; W139-F161 HydrophobicContact CB-CE2 3.91Å; W139-F161 HydrophobicContact CB-CZ 3.6Å; W139-F161 AromaticContact CD1-CE1 3.68Å; W139-F161 AromaticContact CD2-CE1 3.58Å; W139-F161 HydrophobicContact CD2-CE1 3.58Å; W139-F161 HydrophobicContact CD2-CE2 4.48Å; W139-F161 AromaticContact CD2-CZ 3.39Å; W139-F161 HydrophobicContact CD2-CZ 3.39Å; W139-F161 HydrophobicContact CE3-CE1 4.09Å; W139-F161 AromaticContact CE3-CZ 3.51Å; W139-F161 HydrophobicContact CE3-CZ 3.51Å; W139-F161 HydrophobicContact CG-CD1 4.31Å; W139-F161 AromaticContact CG-CE1 3.47Å; W139-F161 HydrophobicContact CG-CE1 3.47Å; W139-F161 VanDerWaalsContact CG-CE1 3.47Å; W139-F161 HydrophobicContact CG-CE2 4.17Å; W139-F161 AromaticContact CG-CZ 3.36Å; W139-F161 HydrophobicContact CG-CZ 3.36Å; W139-F161 AromaticContact NE1-CE1 4Å; W139-F232 HydrophobicContact CE3-CD2 4.44Å; W139-F232 HydrophobicContact CE3-CE2 4.23Å; W139-E235 HydrophobicContact CD2-CB 4.23Å; W139-E235 VanDerWaalsContact CE2-CB 3.48Å; W139-E235 VanDerWaalsContact CE2-OE2 3.27Å; W139-E235 HydrophobicContact CE3-CB 4.45Å; W139-E235 HydrophobicContact CH2-CB 3.47Å; W139-E235 VanDerWaalsContact CH2-CB 3.47Å; W139-E235 WeakPolarHBondContact CH2-O 3.36Å; W139-E235 VanDerWaalsContact CZ2-C 3.43Å; W139-E235 HydrophobicContact CZ2-CB 3.14Å; W139-E235 HydrophobicContact CZ2-CG 3.73Å; W139-E235 WeakPolarHBondContact CZ2-O 3.25Å; W139-E235 WeakPolarHBondContact CZ2-OE2 3.31Å; W139-E235 HydrophobicContact CZ3-CB 4.06Å; W139-E235 PolarHBondContact NE1-OE2 2.94Å; W139-V236 HydrophobicContact CH2-CG2 4.29Å; W139-V236 HydrophobicContact CZ3-CG2 3.75Å; W139-Q239 HydrophobicContact CZ2-CB 4.5Å; W139-M240 HydrophobicContact CH2-CE 4.39Å; W139-M240 HydrophobicContact CZ3-CE 3.84Å |
| 140 | C | 90.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 8% | 0.081 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 106.3 | 168.5 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | V137 P138 K142 | V137-C140 HydrophobicContact CB-CB 3.93Å; V137-C140 HydrophobicContact CG1-CB 4.09Å; V137-C140 WeakPolarHBondContact O-CB 3.29Å; V137-C140 PolarHBondContact O-N 2.92Å; P138-C140 PolarHBondContact O-N 3.12Å; C140-K142 PolarHBondContact SG-O 3.03Å; C140-K142 VanDerWaalsContact SG-O 3.37Å |
| 141 | K | 91.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 69 Ų | 69 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -32.4 | 179.7 | -58.6 | -58.1 | -176.4 | -177.8 | 0 | 112.5 | W139 M158 | W139-K141 PolarHBondContact O-N 3.46Å; K141-M158 HydrophobicContact CB-CB 4.32Å; K141-M158 HydrophobicContact CB-CG 4.06Å; K141-M158 HydrophobicContact CB-SD 4Å; K141-M158 PolarHBondContact N-O 3.05Å |
| 142 | K | 95.1 | Very high | 93.4 | Very high | 103 Ų | 103 | 69 Ų | 69 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 147.7 | 176.1 | -58.3 | -172.4 | -179.3 | -178.1 | 0 | 110.6 | C140 L157 M158 | C140-K142 PolarHBondContact SG-O 3.03Å; C140-K142 VanDerWaalsContact SG-O 3.37Å; K142-L157 WeakPolarHBondContact O-CA 3.18Å; K142-M158 HydrophobicContact CB-CB 3.72Å; K142-M158 HydrophobicContact CD-CE 3.8Å; K142-M158 HydrophobicContact CD-SD 3.98Å; K142-M158 HydrophobicContact CG-CB 4.07Å; K142-M158 HydrophobicContact CG-CE 4.4Å; K142-M158 HydrophobicContact CG-SD 3.95Å; K142-M158 PolarHBondContact N-O 3.09Å; K142-M158 PolarHBondContact O-N 3.06Å |
| 143 | S | 96.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 89.2 | 179.7 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | V130 E131 Y133 R134 | V130-S143 VanDerWaalsContact O-CB 3.25Å; V130-S143 WeakPolarHBondContact O-CB 3.38Å; V130-S143 PolarHBondContact O-OG 2.79Å; E131-S143 PolarHBondContact O-OG 3.04Å; Y133-S143 PolarHBondContact N-OG 3.33Å; R134-S143 WeakPolarHBondContact CB-OG 3.33Å; R134-S143 WeakPolarHBondContact CG-OG 3.17Å; R134-S143 PolarHBondContact N-OG 2.75Å |
| 144 | D | 96.7 | Very high | 93.5 | Very high | 89 Ų | 89 | 70 Ų | 70 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.3 | -172.6 | -60.1 | -48.1 | 0 | 0 | 0 | 110.2 | V146 A155 K156 | D144-V146 PolarHBondContact O-N 3.2Å; D144-A155 CarbonylContact O-C 3.28Å; D144-A155 VanDerWaalsContact O-CA 3.31Å; D144-A155 WeakPolarHBondContact O-CA 3.34Å; D144-K156 PolarHBondContact N-O 3.05Å; D144-K156 PolarHBondContact O-N 2.93Å |
| 145 | V | 96.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.6 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 108.9 | E131 R148 C153 A155 | E131-V145 HydrophobicContact CB-CG2 4.05Å; V145-R148 HydrophobicContact CG1-CB 4.11Å; V145-C153 VanDerWaalsContact CG1-SG 3.59Å; V145-A155 HydrophobicContact CG2-CB 4.43Å |
| 146 | V | 96.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -37.9 | 179.3 | -179 | 0 | 0 | 0 | 0 | 110.7 | D144 K154 K156 | D144-V146 PolarHBondContact O-N 3.2Å; V146-K154 PolarHBondContact N-O 2.91Å; V146-K156 HydrophobicContact CG2-CB 4.36Å; V146-K156 HydrophobicContact CG2-CD 3.99Å; V146-K156 HydrophobicContact CG2-CG 3.76Å |
| 147 | F | 93.9 | Very high | 93.6 | Very high | 102 Ų | 102 | 63 Ų | 63 | 45% | 0.447 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 139.9 | -176.5 | 174 | -100.3 | 0 | 0 | 0 | 110.1 | R149 F152 C153 K154 | F147-R149 HydrophobicContact CE1-CB 4.15Å; F147-R149 HydrophobicContact CE1-CG 3.82Å; F147-R149 HydrophobicContact CZ-CB 4.07Å; F147-R149 HydrophobicContact CZ-CG 4.16Å; F147-F152 HydrophobicContact CD1-CD1 4.23Å; F147-F152 HydrophobicContact CD1-CE1 4.13Å; F147-F152 HydrophobicContact CE1-CD1 4.11Å; F147-F152 HydrophobicContact CE1-CE1 4.27Å; F147-C153 CarbonylContact O-C 3.56Å; F147-C153 WeakPolarHBondContact O-CA 3.38Å; F147-K154 HydrophobicContact CB-CB 4.29Å; F147-K154 PolarHBondContact N-O 3.42Å; F147-K154 PolarHBondContact O-N 3.07Å |
| 148 | R | 95.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.9 | 176.3 | -179.8 | 173.4 | -80.8 | 168.3 | -2.9 | 110.2 | A128 E131 V145 C153 | A128-R148 PolarHBondContact O-NH2 3.48Å; E131-R148 IonicContact OE1-CZ 3.19Å; E131-R148 IonicContact OE1-NH1 3.25Å; E131-R148 PolarHBondContact OE1-NH1 3.41Å; E131-R148 IonicContact OE1-NH2 2.85Å; E131-R148 IonicContact OE2-CZ 2.88Å; E131-R148 IonicContact OE2-NH1 2.74Å; E131-R148 PolarHBondContact OE2-NH1 3.01Å; E131-R148 IonicContact OE2-NH2 3.32Å; E131-R148 PolarHBondContact OE2-NH2 2.85Å; V145-R148 HydrophobicContact CG1-CB 4.11Å; R148-C153 HydrophobicContact CG-CB 4.46Å |
| 149 | R | 94.7 | Very high | 93.6 | Very high | 160 Ų | 160 | 63.8 Ų | 63.8 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 174.2 | 169.6 | 64.4 | 178.7 | 179.4 | 177.1 | 2.1 | 109.3 | F147 G151 F152 | F147-R149 HydrophobicContact CE1-CB 4.15Å; F147-R149 HydrophobicContact CE1-CG 3.82Å; F147-R149 HydrophobicContact CZ-CB 4.07Å; F147-R149 HydrophobicContact CZ-CG 4.16Å; R149-G151 PolarHBondContact O-N 2.98Å; R149-F152 CarbonylContact C-O 3.6Å; R149-F152 HydrophobicContact CG-CB 3.88Å; R149-F152 HydrophobicContact CG-CD1 4.13Å; R149-F152 PolarHBondContact N-O 3.19Å; R149-F152 PolarHBondContact O-N 2.88Å |
| 150 | S | 93.3 | Very high | 93.3 | Very high | 127 Ų | 127 | 62 Ų | 62 | 89% | 0.888 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.4 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | F152 | S150-F152 PolarHBondContact O-N 3.13Š|
| 151 | G | 93.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -1.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R149 T173 T174 | R149-G151 PolarHBondContact O-N 2.98Å; G151-T173 WeakPolarHBondContact O-CA 3.27Å; G151-T174 WeakPolarHBondContact CA-O 3.5Å; G151-T174 WeakPolarHBondContact CA-OG1 3.36Å; G151-T174 PolarHBondContact O-N 2.87Å |
| 152 | F | 96.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 21% | 0.211 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 138.6 | -175.2 | 178.2 | -93.4 | 0 | 0 | 0 | 113.6 | F147 R149 S150 L171 I172 | F147-F152 HydrophobicContact CD1-CD1 4.23Å; F147-F152 HydrophobicContact CD1-CE1 4.13Å; F147-F152 HydrophobicContact CE1-CD1 4.11Å; F147-F152 HydrophobicContact CE1-CE1 4.27Å; R149-F152 CarbonylContact C-O 3.6Å; R149-F152 HydrophobicContact CG-CB 3.88Å; R149-F152 HydrophobicContact CG-CD1 4.13Å; R149-F152 PolarHBondContact N-O 3.19Å; R149-F152 PolarHBondContact O-N 2.88Å; S150-F152 PolarHBondContact O-N 3.13Å; F152-L171 HydrophobicContact CE2-CB 4.18Å; F152-L171 HydrophobicContact CZ-CB 4.48Å; F152-L171 HydrophobicContact CZ-CD2 4.03Å; F152-I172 CarbonylContact C-O 3.51Å; F152-I172 VanDerWaalsContact CA-O 3.27Å; F152-I172 WeakPolarHBondContact CA-O 3.45Å; F152-I172 WeakPolarHBondContact CD2-O 3.46Å |
| 153 | C | 95.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.1 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | V145 F147 R148 I172 | V145-C153 VanDerWaalsContact CG1-SG 3.59Å; F147-C153 CarbonylContact O-C 3.56Å; F147-C153 WeakPolarHBondContact O-CA 3.38Å; R148-C153 HydrophobicContact CG-CB 4.46Å; C153-I172 HydrophobicContact CB-CB 4.2Å; C153-I172 HydrophobicContact CB-CD1 4.5Å; C153-I172 PolarHBondContact N-O 3.34Å; C153-I172 WeakPolarHBondContact O-CD1 3.35Å; C153-I172 PolarHBondContact O-N 3.2Å |
| 154 | K | 96.6 | Very high | 88.4 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.8 | 170.9 | -180 | 174.7 | -175 | 175.7 | 0 | 108.3 | V146 F147 T169 S170 L171 | V146-K154 PolarHBondContact N-O 2.91Å; F147-K154 HydrophobicContact CB-CB 4.29Å; F147-K154 PolarHBondContact N-O 3.42Å; F147-K154 PolarHBondContact O-N 3.07Å; K154-T169 HydrophobicContact CD-CG2 4.27Å; K154-T169 HydrophobicContact CG-CG2 3.97Å; K154-S170 WeakPolarHBondContact CA-O 3.4Å; K154-L171 HydrophobicContact CB-CD2 4.2Å; K154-L171 HydrophobicContact CD-CD2 4.09Å; K154-L171 HydrophobicContact CG-CD2 3.89Å |
| 155 | A | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V130 D144 V145 L157 T169 S170 I172 | V130-A155 HydrophobicContact CG1-CB 3.84Å; D144-A155 CarbonylContact O-C 3.28Å; D144-A155 VanDerWaalsContact O-CA 3.31Å; D144-A155 WeakPolarHBondContact O-CA 3.34Å; V145-A155 HydrophobicContact CG2-CB 4.43Å; A155-L157 HydrophobicContact CB-CD2 4.3Å; A155-T169 CarbonylContact O-C 3.16Å; A155-T169 WeakPolarHBondContact O-CA 3.47Å; A155-S170 PolarHBondContact N-O 2.76Å; A155-S170 PolarHBondContact O-N 3Å; A155-I172 HydrophobicContact CB-CD1 3.88Å |
| 156 | K | 95.3 | Very high | 87.1 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 52% | 0.522 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 166.4 | -75.7 | 179.3 | 179.2 | -178.1 | 0 | 108 | D144 V146 | D144-K156 PolarHBondContact N-O 3.05Å; D144-K156 PolarHBondContact O-N 2.93Å; V146-K156 HydrophobicContact CG2-CB 4.36Å; V146-K156 HydrophobicContact CG2-CD 3.99Å; V146-K156 HydrophobicContact CG2-CG 3.76Å |
| 157 | L | 93.9 | Very high | 86.8 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.8 | -179.9 | -59.3 | -177 | 0 | 0 | 0 | 109 | V130 K142 A155 N167 Y168 | V130-L157 HydrophobicContact CG1-CD2 3.92Å; K142-L157 WeakPolarHBondContact O-CA 3.18Å; A155-L157 HydrophobicContact CB-CD2 4.3Å; L157-N167 WeakPolarHBondContact O-CA 3.49Å; L157-Y168 HydrophobicContact CB-CD1 4.29Å; L157-Y168 HydrophobicContact CB-CE1 3.75Å; L157-Y168 HydrophobicContact CB-CE2 4.33Å; L157-Y168 HydrophobicContact CD1-CE2 4.15Å; L157-Y168 VanDerWaalsContact CD1-OH 3.27Å; L157-Y168 WeakPolarHBondContact CD1-OH 3.36Å; L157-Y168 PolarHBondContact N-O 3.45Å; L157-Y168 PolarHBondContact O-N 3.47Å |
| 158 | M | 90.6 | Very high | 86.6 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.1 | 171.6 | -175.7 | -175.6 | -80.1 | 0 | 0 | 107.9 | K141 K142 V165 E166 N167 | K141-M158 HydrophobicContact CB-CB 4.32Å; K141-M158 HydrophobicContact CB-CG 4.06Å; K141-M158 HydrophobicContact CB-SD 4Å; K141-M158 PolarHBondContact N-O 3.05Å; K142-M158 HydrophobicContact CB-CB 3.72Å; K142-M158 HydrophobicContact CD-CE 3.8Å; K142-M158 HydrophobicContact CD-SD 3.98Å; K142-M158 HydrophobicContact CG-CB 4.07Å; K142-M158 HydrophobicContact CG-CE 4.4Å; K142-M158 HydrophobicContact CG-SD 3.95Å; K142-M158 PolarHBondContact N-O 3.09Å; K142-M158 PolarHBondContact O-N 3.06Å; M158-V165 HydrophobicContact CG-CG1 3.48Å; M158-V165 VanDerWaalsContact CG-CG1 3.48Å; M158-V165 HydrophobicContact SD-CG1 3.58Å; M158-V165 VanDerWaalsContact SD-CG1 3.58Å; M158-E166 CarbonylContact C-O 3.53Å; M158-E166 WeakPolarHBondContact CA-O 3.49Å; M158-N167 VanDerWaalsContact CB-OD1 3.31Å; M158-N167 WeakPolarHBondContact CB-OD1 3.49Å; M158-N167 WeakPolarHBondContact CE-OD1 3.32Å; M158-N167 WeakPolarHBondContact CG-OD1 3.27Å |
| 159 | V | 85.6 | Confident | 86.5 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.6 | 176.9 | -71 | 0 | 0 | 0 | 0 | 109.4 | W139 E166 Y168 L189 | W139-V159 WeakPolarHBondContact O-CA 3.47Å; V159-E166 PolarHBondContact N-O 3.32Å; V159-E166 PolarHBondContact O-N 3.4Å; V159-Y168 HydrophobicContact CG1-CE1 3.8Å; V159-Y168 HydrophobicContact CG2-CD1 4.12Å; V159-Y168 HydrophobicContact CG2-CE1 3.97Å; V159-L189 HydrophobicContact CG2-CD2 3.97Å |
| 160 | G | 75.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 126.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W139 V164 | W139-G160 PolarHBondContact O-N 3.43Å; G160-V164 CarbonylContact C-O 3.6Å; G160-V164 VanDerWaalsContact CA-O 3.27Å; G160-V164 WeakPolarHBondContact CA-O 3.42Å |
| 161 | F | 69.1 | Low | 86.7 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 103.8 | 170.4 | -64.6 | -92.6 | 0 | 0 | 0 | 106.6 | W139 P163 V164 L228 V231 F232 E235 | W139-F161 HydrophobicContact CB-CE1 4.07Å; W139-F161 HydrophobicContact CB-CE2 3.91Å; W139-F161 HydrophobicContact CB-CZ 3.6Å; W139-F161 AromaticContact CD1-CE1 3.68Å; W139-F161 AromaticContact CD2-CE1 3.58Å; W139-F161 HydrophobicContact CD2-CE1 3.58Å; W139-F161 HydrophobicContact CD2-CE2 4.48Å; W139-F161 AromaticContact CD2-CZ 3.39Å; W139-F161 HydrophobicContact CD2-CZ 3.39Å; W139-F161 HydrophobicContact CE3-CE1 4.09Å; W139-F161 AromaticContact CE3-CZ 3.51Å; W139-F161 HydrophobicContact CE3-CZ 3.51Å; W139-F161 HydrophobicContact CG-CD1 4.31Å; W139-F161 AromaticContact CG-CE1 3.47Å; W139-F161 HydrophobicContact CG-CE1 3.47Å; W139-F161 VanDerWaalsContact CG-CE1 3.47Å; W139-F161 HydrophobicContact CG-CE2 4.17Å; W139-F161 AromaticContact CG-CZ 3.36Å; W139-F161 HydrophobicContact CG-CZ 3.36Å; W139-F161 AromaticContact NE1-CE1 4Å; F161-P163 CarbonylContact O-C 3.48Å; F161-P163 VanDerWaalsContact O-N 3.16Å; F161-V164 CarbonylContact C-O 3.55Å; F161-V164 PolarHBondContact N-O 3.12Å; F161-V164 CarbonylContact O-C 3.45Å; F161-V164 WeakPolarHBondContact O-CA 3.25Å; F161-V164 PolarHBondContact O-N 2.93Å; F161-L228 HydrophobicContact CB-CD2 4.44Å; F161-V231 HydrophobicContact CD1-CG1 4.07Å; F161-F232 HydrophobicContact CD2-CD2 4.49Å; F161-F232 HydrophobicContact CE1-CB 4.34Å; F161-F232 HydrophobicContact CE1-CD2 4.31Å; F161-F232 HydrophobicContact CE2-CB 4.34Å; F161-F232 AromaticContact CE2-CD2 3.37Å; F161-F232 HydrophobicContact CE2-CD2 3.37Å; F161-F232 HydrophobicContact CE2-CE2 4.1Å; F161-F232 HydrophobicContact CE2-CG 4.32Å; F161-F232 HydrophobicContact CZ-CB 3.98Å; F161-F232 AromaticContact CZ-CD2 3.23Å; F161-F232 HydrophobicContact CZ-CD2 3.23Å; F161-F232 AromaticContact CZ-CE2 3.99Å; F161-F232 HydrophobicContact CZ-CE2 3.99Å; F161-F232 HydrophobicContact CZ-CG 4.01Å; F161-E235 HydrophobicContact CE1-CB 4.32Å; F161-E235 HydrophobicContact CE1-CG 4.2Å |
| 162 | P | 61.1 | Low | 86.9 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 75% | 0.753 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 126.3 | -178.2 | -28.6 | 35.1 | 0 | 0 | 0 | 111.2 | ||
| 163 | P | 67.8 | Low | 87 | Confident | 125 Ų | 125 | 47.2 Ų | 47.2 | 81% | 0.812 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | -2.8 | 9 | 36.1 | -35.9 | 0 | 0 | 0 | 116.6 | F161 | F161-P163 CarbonylContact O-C 3.48Å; F161-P163 VanDerWaalsContact O-N 3.16Å |
| 164 | V | 72.1 | Confident | 87 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.8 | -174.8 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | G160 F161 E166 L228 | G160-V164 CarbonylContact C-O 3.6Å; G160-V164 VanDerWaalsContact CA-O 3.27Å; G160-V164 WeakPolarHBondContact CA-O 3.42Å; F161-V164 CarbonylContact C-O 3.55Å; F161-V164 PolarHBondContact N-O 3.12Å; F161-V164 CarbonylContact O-C 3.45Å; F161-V164 WeakPolarHBondContact O-CA 3.25Å; F161-V164 PolarHBondContact O-N 2.93Å; V164-E166 HydrophobicContact CG1-CG 3.77Å; V164-L228 HydrophobicContact CB-CD1 3.89Å; V164-L228 HydrophobicContact CG1-CD1 4.24Å; V164-L228 HydrophobicContact CG2-CD1 3.52Å |
| 165 | V | 82.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 48 Ų | 48 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.3 | 174 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | M158 | M158-V165 HydrophobicContact CG-CG1 3.48Å; M158-V165 VanDerWaalsContact CG-CG1 3.48Å; M158-V165 HydrophobicContact SD-CG1 3.58Å; M158-V165 VanDerWaalsContact SD-CG1 3.58Å |
| 166 | E | 82.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.4 | -171.7 | -71.6 | -72.2 | 177.6 | 0 | 0 | 111.1 | M158 V159 V164 L189 | M158-E166 CarbonylContact C-O 3.53Å; M158-E166 WeakPolarHBondContact CA-O 3.49Å; V159-E166 PolarHBondContact N-O 3.32Å; V159-E166 PolarHBondContact O-N 3.4Å; V164-E166 HydrophobicContact CG1-CG 3.77Å; E166-L189 HydrophobicContact CB-CD1 3.87Å; E166-L189 HydrophobicContact CB-CD2 3.59Å; E166-L189 HydrophobicContact CB-CG 4.25Å; E166-L189 HydrophobicContact CG-CD1 3.78Å; E166-L189 HydrophobicContact CG-CD2 4.43Å |
| 167 | N | 89.3 | Confident | 87.1 | Confident | 85 Ų | 85 | 50 Ų | 50 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.3 | -178.5 | -57.9 | -83.3 | 0 | 0 | 0 | 109.9 | L157 M158 | L157-N167 WeakPolarHBondContact O-CA 3.49Å; M158-N167 VanDerWaalsContact CB-OD1 3.31Å; M158-N167 WeakPolarHBondContact CB-OD1 3.49Å; M158-N167 WeakPolarHBondContact CE-OD1 3.32Å; M158-N167 WeakPolarHBondContact CG-OD1 3.27Å |
| 168 | Y | 90.1 | Very high | 87.3 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.7 | 171 | 72.8 | -83.1 | 0 | 0 | 0 | 111.5 | L157 V159 C184 D186 F190 L193 | L157-Y168 HydrophobicContact CB-CD1 4.29Å; L157-Y168 HydrophobicContact CB-CE1 3.75Å; L157-Y168 HydrophobicContact CB-CE2 4.33Å; L157-Y168 HydrophobicContact CD1-CE2 4.15Å; L157-Y168 VanDerWaalsContact CD1-OH 3.27Å; L157-Y168 WeakPolarHBondContact CD1-OH 3.36Å; L157-Y168 PolarHBondContact N-O 3.45Å; L157-Y168 PolarHBondContact O-N 3.47Å; V159-Y168 HydrophobicContact CG1-CE1 3.8Å; V159-Y168 HydrophobicContact CG2-CD1 4.12Å; V159-Y168 HydrophobicContact CG2-CE1 3.97Å; Y168-C184 HydrophobicContact CD2-CB 4.33Å; Y168-D186 WeakPolarHBondContact CA-OD2 3.49Å; Y168-F190 AromaticContact CD1-CE2 3.99Å; Y168-F190 HydrophobicContact CD1-CE2 3.99Å; Y168-F190 HydrophobicContact CE1-CE2 4.23Å; Y168-F190 HydrophobicContact CG-CD2 4.41Å; Y168-F190 HydrophobicContact CG-CE2 4.27Å; Y168-L193 HydrophobicContact CD2-CD2 4.09Å; Y168-L193 HydrophobicContact CE1-CD2 4.31Å; Y168-L193 HydrophobicContact CE2-CD2 3.53Å |
| 169 | T | 94.2 | Very high | 87.7 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.8 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | K154 A155 S185 D186 | K154-T169 HydrophobicContact CD-CG2 4.27Å; K154-T169 HydrophobicContact CG-CG2 3.97Å; A155-T169 CarbonylContact O-C 3.16Å; A155-T169 WeakPolarHBondContact O-CA 3.47Å; T169-S185 WeakPolarHBondContact CB-OG 3.32Å; T169-S185 WeakPolarHBondContact CG2-OG 3.36Å; T169-S185 PolarHBondContact O-N 3Å; T169-S185 PolarHBondContact O-OG 2.82Å; T169-D186 WeakPolarHBondContact CB-OD2 3.47Å; T169-D186 PolarHBondContact N-OD2 3.44Å; T169-D186 PolarHBondContact OG1-OD2 3.04Å |
| 170 | S | 95.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.5 | 178.4 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | K154 A155 S183 | K154-S170 WeakPolarHBondContact CA-O 3.4Å; A155-S170 PolarHBondContact N-O 2.76Å; A155-S170 PolarHBondContact O-N 3Å; S170-S183 CarbonylContact C-O 3.45Å; S170-S183 VanDerWaalsContact CA-O 3.32Å; S170-S183 WeakPolarHBondContact CA-O 3.47Å |
| 171 | L | 96.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.1 | 166.8 | -55.3 | -177.4 | 0 | 0 | 0 | 107.8 | F152 K154 A182 S183 | F152-L171 HydrophobicContact CE2-CB 4.18Å; F152-L171 HydrophobicContact CZ-CB 4.48Å; F152-L171 HydrophobicContact CZ-CD2 4.03Å; K154-L171 HydrophobicContact CB-CD2 4.2Å; K154-L171 HydrophobicContact CD-CD2 4.09Å; K154-L171 HydrophobicContact CG-CD2 3.89Å; L171-A182 CarbonylContact O-C 3.55Å; L171-A182 VanDerWaalsContact O-CA 3.32Å; L171-A182 WeakPolarHBondContact O-CA 3.46Å; L171-S183 PolarHBondContact N-O 2.76Å; L171-S183 PolarHBondContact O-N 2.95Å |
| 172 | I | 97.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.6 | -175.8 | -54.9 | 95.5 | 0 | 0 | 0 | 108.4 | V130 F152 C153 A155 T174 V180 K181 A182 | V130-I172 HydrophobicContact CG2-CD1 4.41Å; V130-I172 HydrophobicContact CG2-CG1 4.28Å; F152-I172 CarbonylContact C-O 3.51Å; F152-I172 VanDerWaalsContact CA-O 3.27Å; F152-I172 WeakPolarHBondContact CA-O 3.45Å; F152-I172 WeakPolarHBondContact CD2-O 3.46Å; C153-I172 HydrophobicContact CB-CB 4.2Å; C153-I172 HydrophobicContact CB-CD1 4.5Å; C153-I172 PolarHBondContact N-O 3.34Å; C153-I172 WeakPolarHBondContact O-CD1 3.35Å; C153-I172 PolarHBondContact O-N 3.2Å; A155-I172 HydrophobicContact CB-CD1 3.88Å; I172-T174 HydrophobicContact CG2-CG2 3.9Å; I172-V180 HydrophobicContact CG2-CG1 3.84Å; I172-K181 CarbonylContact C-O 3.57Å; I172-K181 VanDerWaalsContact CA-O 3.27Å; I172-K181 WeakPolarHBondContact CA-O 3.27Å; I172-A182 HydrophobicContact CG1-CB 3.99Å |
| 173 | T | 97.7 | Very high | 92.3 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.1 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | G151 K181 | G151-T173 WeakPolarHBondContact O-CA 3.27Å; T173-K181 PolarHBondContact N-O 2.81Å; T173-K181 PolarHBondContact O-N 3.21Å |
| 174 | T | 97.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.9 | -174.7 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | Y124 G151 I172 L179 V180 | Y124-T174 VanDerWaalsContact OH-CB 3.28Å; Y124-T174 WeakPolarHBondContact OH-CB 3.37Å; Y124-T174 PolarHBondContact OH-OG1 2.84Å; G151-T174 WeakPolarHBondContact CA-O 3.5Å; G151-T174 WeakPolarHBondContact CA-OG1 3.36Å; G151-T174 PolarHBondContact O-N 2.87Å; I172-T174 HydrophobicContact CG2-CG2 3.9Å; T174-L179 CarbonylContact C-O 3.54Å; T174-L179 VanDerWaalsContact CA-O 3.3Å; T174-L179 WeakPolarHBondContact CA-O 3.46Å; T174-V180 HydrophobicContact CG2-CG1 4.24Å; T174-V180 HydrophobicContact CG2-CG2 4.09Å |
| 175 | V | 97.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 105.3 | 168.4 | -178 | 0 | 0 | 0 | 0 | 106.7 | P177 H178 L179 | V175-P177 CarbonylContact O-C 3.59Å; V175-H178 PolarHBondContact O-N 2.91Å; V175-L179 HydrophobicContact CB-CB 4.04Å; V175-L179 HydrophobicContact CG2-CB 4.43Å; V175-L179 HydrophobicContact CG2-CD2 4.26Å; V175-L179 PolarHBondContact N-O 2.81Å; V175-L179 PolarHBondContact O-N 3.42Å |
| 176 | R | 96.6 | Very high | 94.1 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 137.8 | -177.4 | -179.4 | 178.2 | -75.8 | -76.4 | 10.9 | 111 | Y124 D125 | Y124-R176 HydrophobicContact CD1-CG 4.22Å; Y124-R176 HydrophobicContact CE1-CB 3.97Å; Y124-R176 HydrophobicContact CE1-CG 3.86Å; Y124-R176 HydrophobicContact CE2-CB 4.24Å; D125-R176 IonicContact OD1-CZ 3.43Å; D125-R176 IonicContact OD1-NH1 2.69Å; D125-R176 PolarHBondContact OD1-NH1 2.93Å; D125-R176 IonicContact OD1-NH2 3.73Å; D125-R176 PolarHBondContact OD1-NH2 2.84Å; D125-R176 IonicContact OD2-NH1 3.71Å |
| 177 | P | 96.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.2 | 20 | -15.2 | 37.3 | -36.1 | 0 | 0 | 0 | 113.5 | M120 Y124 V175 F199 | M120-P177 HydrophobicContact CE-CG 4.22Å; Y124-P177 VanDerWaalsContact CD2-C 3.48Å; Y124-P177 HydrophobicContact CG-CB 4.25Å; V175-P177 CarbonylContact O-C 3.59Å; P177-F199 WeakPolarHBondContact O-CB 3.32Å; P177-F199 WeakPolarHBondContact O-CD2 3.31Å |
| 178 | H | 97.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -26.9 | -164 | -61.3 | -70.5 | 0 | 0 | 0 | 116.1 | M120 V175 R198 F199 | M120-H178 WeakPolarHBondContact CE-ND1 3.29Å; V175-H178 PolarHBondContact O-N 2.91Å; H178-R198 WeakPolarHBondContact O-CA 3.41Å; H178-F199 PolarHBondContact O-N 3.37Å |
| 179 | L | 98.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 134.1 | -168 | -178.6 | 69.6 | 0 | 0 | 0 | 112.4 | T174 V175 K181 V196 W197 R198 | T174-L179 CarbonylContact C-O 3.54Å; T174-L179 VanDerWaalsContact CA-O 3.3Å; T174-L179 WeakPolarHBondContact CA-O 3.46Å; V175-L179 HydrophobicContact CB-CB 4.04Å; V175-L179 HydrophobicContact CG2-CB 4.43Å; V175-L179 HydrophobicContact CG2-CD2 4.26Å; V175-L179 PolarHBondContact N-O 2.81Å; V175-L179 PolarHBondContact O-N 3.42Å; L179-K181 HydrophobicContact CD1-CB 4.48Å; L179-K181 HydrophobicContact CG-CB 4.47Å; L179-V196 HydrophobicContact CD1-CG1 3.8Å; L179-W197 WeakPolarHBondContact CA-O 3.36Å; L179-W197 WeakPolarHBondContact CD1-O 2.95Å; L179-R198 HydrophobicContact CD1-CG 4.11Å |
| 180 | V | 98.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 117.4 | 158.8 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | Y124 V127 A128 I172 T174 W197 F199 | Y124-V180 HydrophobicContact CD2-CG2 3.98Å; Y124-V180 HydrophobicContact CE2-CG2 3.73Å; V127-V180 HydrophobicContact CG1-CB 3.84Å; V127-V180 HydrophobicContact CG1-CG1 3.97Å; V127-V180 HydrophobicContact CG1-CG2 3.99Å; A128-V180 HydrophobicContact CB-CG2 4.27Å; I172-V180 HydrophobicContact CG2-CG1 3.84Å; T174-V180 HydrophobicContact CG2-CG1 4.24Å; T174-V180 HydrophobicContact CG2-CG2 4.09Å; V180-W197 HydrophobicContact CB-CB 4.28Å; V180-W197 PolarHBondContact N-O 2.6Å; V180-W197 PolarHBondContact O-N 2.77Å; V180-F199 HydrophobicContact CG2-CE2 4.24Å |
| 181 | K | 97.9 | Very high | 91.3 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.4 | 178.4 | 174.8 | 168 | 177.5 | 159.5 | 0 | 109.3 | I172 T173 L179 E194 T195 V196 | I172-K181 CarbonylContact C-O 3.57Å; I172-K181 VanDerWaalsContact CA-O 3.27Å; I172-K181 WeakPolarHBondContact CA-O 3.27Å; T173-K181 PolarHBondContact N-O 2.81Å; T173-K181 PolarHBondContact O-N 3.21Å; L179-K181 HydrophobicContact CD1-CB 4.48Å; L179-K181 HydrophobicContact CG-CB 4.47Å; K181-E194 WeakPolarHBondContact CE-OE2 3.11Å; K181-E194 IonicContact NZ-OE2 2.8Å; K181-E194 PolarHBondContact NZ-OE2 3.18Å; K181-T195 CarbonylContact C-O 3.52Å; K181-T195 WeakPolarHBondContact CA-O 3.45Å; K181-V196 HydrophobicContact CD-CG2 4.33Å; K181-V196 HydrophobicContact CG-CG2 4.2Å |
| 182 | A | 96.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L171 I172 E194 T195 | L171-A182 CarbonylContact O-C 3.55Å; L171-A182 VanDerWaalsContact O-CA 3.32Å; L171-A182 WeakPolarHBondContact O-CA 3.46Å; I172-A182 HydrophobicContact CG1-CB 3.99Å; A182-E194 CarbonylContact O-C 3.55Å; A182-E194 WeakPolarHBondContact O-CA 3.3Å; A182-T195 PolarHBondContact N-O 3.43Å; A182-T195 PolarHBondContact O-N 2.94Å |
| 183 | S | 94.8 | Very high | 90.5 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.4 | 172.5 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | S170 L171 L193 | S170-S183 CarbonylContact C-O 3.45Å; S170-S183 VanDerWaalsContact CA-O 3.32Å; S170-S183 WeakPolarHBondContact CA-O 3.47Å; L171-S183 PolarHBondContact N-O 2.76Å; L171-S183 PolarHBondContact O-N 2.95Å; S183-L193 CarbonylContact C-O 3.6Å; S183-L193 VanDerWaalsContact CA-O 3.28Å; S183-L193 WeakPolarHBondContact CA-O 3.4Å |
| 184 | C | 92.3 | Very high | 90.3 | Very high | 27 Ų | 27 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 144.1 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 111 | Y168 L193 | Y168-C184 HydrophobicContact CD2-CB 4.33Å; C184-L193 HydrophobicContact CB-CB 3.84Å; C184-L193 HydrophobicContact CB-CD2 4.4Å; C184-L193 PolarHBondContact N-O 2.88Å |
| 185 | S | 89.5 | Confident | 90.2 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | trans | -119.1 | -18.9 | -178 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | T169 | T169-S185 WeakPolarHBondContact CB-OG 3.32Å; T169-S185 WeakPolarHBondContact CG2-OG 3.36Å; T169-S185 PolarHBondContact O-N 3Å; T169-S185 PolarHBondContact O-OG 2.82Å | ||
| 186 | D | 80 | Confident | 90.1 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -99.5 | -8.1 | -171.1 | 58.1 | 23 | 0 | 0 | 0 | 114.9 | Y168 T169 K188 | Y168-D186 WeakPolarHBondContact CA-OD2 3.49Å; T169-D186 WeakPolarHBondContact CB-OD2 3.47Å; T169-D186 PolarHBondContact N-OD2 3.44Å; T169-D186 PolarHBondContact OG1-OD2 3.04Å; D186-K188 HydrophobicContact CB-CG 4.47Å; D186-K188 WeakPolarHBondContact O-CG 3.21Å; D186-K188 PolarHBondContact O-N 3.31Å |
| 187 | G | 73.6 | Confident | 90.2 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | 60.6 | 13.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F190 R221 | G187-F190 WeakPolarHBondContact CA-O 3.36Å; G187-R221 WeakPolarHBondContact O-CD 2.89Å; G187-R221 PolarHBondContact O-NH1 2.91Å | ||
| 188 | K | 78.4 | Confident | 90.3 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -80.6 | -53 | -175.1 | -68.3 | -175.7 | 180 | -177.6 | 0 | 111.2 | D186 | D186-K188 HydrophobicContact CB-CG 4.47Å; D186-K188 WeakPolarHBondContact O-CG 3.21Å; D186-K188 PolarHBondContact O-N 3.31Å |
| 189 | L | 76.4 | Confident | 90.3 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -90.1 | -43.4 | -178.8 | 178.2 | 60 | 0 | 0 | 0 | 112.1 | V159 E166 F220 R221 | V159-L189 HydrophobicContact CG2-CD2 3.97Å; E166-L189 HydrophobicContact CB-CD1 3.87Å; E166-L189 HydrophobicContact CB-CD2 3.59Å; E166-L189 HydrophobicContact CB-CG 4.25Å; E166-L189 HydrophobicContact CG-CD1 3.78Å; E166-L189 HydrophobicContact CG-CD2 4.43Å; L189-F220 HydrophobicContact CD1-CD1 3.89Å; L189-F220 HydrophobicContact CD1-CE1 3.87Å; L189-F220 HydrophobicContact CD2-CE1 4.43Å; L189-F220 HydrophobicContact CG-CD1 4.15Å; L189-F220 HydrophobicContact CG-CE1 4.02Å; L189-R221 PolarHBondContact O-N 3.47Å |
| 190 | F | 78.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.7 | -172.4 | -62.7 | -72.9 | 0 | 0 | 0 | 110 | Y168 G187 H192 L193 F218 E219 F220 | Y168-F190 AromaticContact CD1-CE2 3.99Å; Y168-F190 HydrophobicContact CD1-CE2 3.99Å; Y168-F190 HydrophobicContact CE1-CE2 4.23Å; Y168-F190 HydrophobicContact CG-CD2 4.41Å; Y168-F190 HydrophobicContact CG-CE2 4.27Å; G187-F190 WeakPolarHBondContact CA-O 3.36Å; F190-H192 VanDerWaalsContact C-N 3.28Å; F190-L193 HydrophobicContact CB-CB 3.91Å; F190-L193 HydrophobicContact CD1-CB 4.16Å; F190-L193 HydrophobicContact CD2-CB 3.97Å; F190-L193 HydrophobicContact CD2-CD2 3.68Å; F190-L193 HydrophobicContact CD2-CG 4.42Å; F190-L193 HydrophobicContact CE2-CD2 3.53Å; F190-L193 HydrophobicContact CG-CB 3.77Å; F190-L193 HydrophobicContact CG-CD2 4.3Å; F190-L193 HydrophobicContact CZ-CD2 4.06Å; F190-F218 HydrophobicContact CD1-CB 4.34Å; F190-F218 HydrophobicContact CE1-CB 4.4Å; F190-F218 HydrophobicContact CE1-CD2 4.46Å; F190-E219 CarbonylContact C-O 3.49Å; F190-E219 VanDerWaalsContact CA-O 3.32Å; F190-E219 WeakPolarHBondContact CA-O 3.37Å; F190-F220 AromaticContact CD1-CD1 3.84Å; F190-F220 HydrophobicContact CD1-CD1 3.84Å; F190-F220 AromaticContact CD1-CE1 3.86Å; F190-F220 HydrophobicContact CD1-CE1 3.86Å; F190-F220 HydrophobicContact CD1-CG 4.34Å; F190-F220 HydrophobicContact CD1-CZ 4.37Å; F190-F220 AromaticContact CE1-CD1 3.65Å; F190-F220 HydrophobicContact CE1-CD1 3.65Å; F190-F220 HydrophobicContact CE1-CD2 4.46Å; F190-F220 AromaticContact CE1-CE1 3.17Å; F190-F220 HydrophobicContact CE1-CE1 3.17Å; F190-F220 HydrophobicContact CE1-CE2 4.08Å; F190-F220 HydrophobicContact CE1-CG 4.29Å; F190-F220 AromaticContact CE1-CZ 3.43Å; F190-F220 HydrophobicContact CE1-CZ 3.43Å; F190-F220 VanDerWaalsContact CE1-CZ 3.43Å; F190-F220 HydrophobicContact CZ-CD1 4.46Å; F190-F220 AromaticContact CZ-CE1 3.69Å; F190-F220 HydrophobicContact CZ-CE1 3.69Å; F190-F220 HydrophobicContact CZ-CZ 4.01Å |
| 191 | N | 84.6 | Confident | 90.1 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -37.6 | 160.7 | -72.3 | -15 | 0 | 0 | 0 | 109.7 | E219 R221 | N191-E219 HydrophobicContact CB-CB 4.23Å; N191-E219 HydrophobicContact CB-CG 4.19Å; N191-E219 WeakPolarHBondContact CB-OE1 3.32Å; N191-E219 PolarHBondContact N-O 3.25Å; N191-E219 PolarHBondContact ND2-OE1 3.08Å; N191-R221 VanDerWaalsContact OD1-CB 3.31Å; N191-R221 WeakPolarHBondContact OD1-CB 3.46Å; N191-R221 VanDerWaalsContact OD1-CG 3.27Å; N191-R221 WeakPolarHBondContact OD1-CG 3.38Å |
| 192 | H | 87.2 | Confident | 89.8 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.2 | 176.1 | -178.4 | 65.6 | 0 | 0 | 0 | 109.5 | F190 S217 F218 E219 | F190-H192 VanDerWaalsContact C-N 3.28Å; H192-S217 PolarHBondContact CD2-O 2.8Å; H192-S217 PolarHBondContact NE2-OG 2.96Å; H192-F218 CarbonylContact O-C 3.54Å; H192-F218 WeakPolarHBondContact O-CA 3.28Å; H192-E219 HydrophobicContact CB-CB 3.91Å; H192-E219 PolarHBondContact N-O 3Å; H192-E219 PolarHBondContact O-N 3.33Å |
| 193 | L | 90.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 115.9 | 164.5 | 169 | 66.3 | 0 | 0 | 0 | 106.3 | Y168 S183 C184 F190 I216 S217 F218 | Y168-L193 HydrophobicContact CD2-CD2 4.09Å; Y168-L193 HydrophobicContact CE1-CD2 4.31Å; Y168-L193 HydrophobicContact CE2-CD2 3.53Å; S183-L193 CarbonylContact C-O 3.6Å; S183-L193 VanDerWaalsContact CA-O 3.28Å; S183-L193 WeakPolarHBondContact CA-O 3.4Å; C184-L193 HydrophobicContact CB-CB 3.84Å; C184-L193 HydrophobicContact CB-CD2 4.4Å; C184-L193 PolarHBondContact N-O 2.88Å; F190-L193 HydrophobicContact CB-CB 3.91Å; F190-L193 HydrophobicContact CD1-CB 4.16Å; F190-L193 HydrophobicContact CD2-CB 3.97Å; F190-L193 HydrophobicContact CD2-CD2 3.68Å; F190-L193 HydrophobicContact CD2-CG 4.42Å; F190-L193 HydrophobicContact CE2-CD2 3.53Å; F190-L193 HydrophobicContact CG-CB 3.77Å; F190-L193 HydrophobicContact CG-CD2 4.3Å; F190-L193 HydrophobicContact CZ-CD2 4.06Å; L193-I216 HydrophobicContact CD1-CD1 4.23Å; L193-I216 HydrophobicContact CD1-CG1 4.28Å; L193-S217 CarbonylContact C-O 3.39Å; L193-S217 WeakPolarHBondContact CA-O 3.34Å; L193-F218 HydrophobicContact CB-CB 4.45Å; L193-F218 HydrophobicContact CD1-CB 3.83Å |
| 194 | E | 93.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136.5 | 175.3 | -175.2 | 174.5 | 77.1 | 0 | 0 | 109 | K181 A182 V196 I216 S217 | K181-E194 WeakPolarHBondContact CE-OE2 3.11Å; K181-E194 IonicContact NZ-OE2 2.8Å; K181-E194 PolarHBondContact NZ-OE2 3.18Å; A182-E194 CarbonylContact O-C 3.55Å; A182-E194 WeakPolarHBondContact O-CA 3.3Å; E194-V196 HydrophobicContact CG-CG2 4.14Å; E194-I216 CarbonylContact O-C 3.59Å; E194-I216 VanDerWaalsContact O-CA 3.29Å; E194-I216 WeakPolarHBondContact O-CA 3.34Å; E194-S217 PolarHBondContact N-O 3.08Å; E194-S217 PolarHBondContact O-N 2.77Å |
| 195 | T | 95.1 | Very high | 89.1 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.2 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | K181 A182 F214 A215 I216 | K181-T195 CarbonylContact C-O 3.52Å; K181-T195 WeakPolarHBondContact CA-O 3.45Å; A182-T195 PolarHBondContact N-O 3.43Å; A182-T195 PolarHBondContact O-N 2.94Å; T195-F214 HydrophobicContact CG2-CD2 4.36Å; T195-F214 HydrophobicContact CG2-CE2 3.49Å; T195-F214 VanDerWaalsContact CG2-CE2 3.49Å; T195-F214 HydrophobicContact CG2-CZ 4.18Å; T195-A215 CarbonylContact C-O 3.52Å; T195-A215 WeakPolarHBondContact CA-O 3.16Å; T195-I216 HydrophobicContact CG2-CB 4.4Å |
| 196 | V | 97.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.158 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | L179 K181 E194 R198 F214 A215 | L179-V196 HydrophobicContact CD1-CG1 3.8Å; K181-V196 HydrophobicContact CD-CG2 4.33Å; K181-V196 HydrophobicContact CG-CG2 4.2Å; E194-V196 HydrophobicContact CG-CG2 4.14Å; V196-R198 HydrophobicContact CG1-CG 3.85Å; V196-F214 CarbonylContact O-C 3.58Å; V196-A215 PolarHBondContact N-O 3.18Å; V196-A215 PolarHBondContact O-N 2.89Å |
| 197 | W | 97.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.4 | 169.2 | -66.6 | 79.9 | 0 | 0 | 0 | 107.7 | V127 L179 V180 F199 V212 D213 F214 M240 V241 F244 | V127-W197 HydrophobicContact CG1-CB 4.12Å; V127-W197 HydrophobicContact CG1-CD2 3.86Å; V127-W197 HydrophobicContact CG1-CG 3.64Å; V127-W197 HydrophobicContact CG2-CD2 4.07Å; V127-W197 HydrophobicContact CG2-CE3 3.98Å; V127-W197 HydrophobicContact CG2-CZ3 4.24Å; L179-W197 WeakPolarHBondContact CA-O 3.36Å; L179-W197 WeakPolarHBondContact CD1-O 2.95Å; V180-W197 HydrophobicContact CB-CB 4.28Å; V180-W197 PolarHBondContact N-O 2.6Å; V180-W197 PolarHBondContact O-N 2.77Å; W197-F199 HydrophobicContact CB-CE1 4.37Å; W197-F199 HydrophobicContact CB-CE2 4.05Å; W197-F199 HydrophobicContact CB-CZ 3.7Å; W197-F199 HydrophobicContact CE3-CE1 4.25Å; W197-F199 HydrophobicContact CE3-CZ 4.37Å; W197-F199 HydrophobicContact CG-CZ 4.45Å; W197-V212 HydrophobicContact CE3-CG1 3.74Å; W197-V212 HydrophobicContact CZ3-CG1 3.86Å; W197-D213 CarbonylContact C-O 3.49Å; W197-D213 WeakPolarHBondContact CA-O 3.35Å; W197-F214 AromaticContact CD2-CD2 3.63Å; W197-F214 HydrophobicContact CD2-CD2 3.63Å; W197-F214 HydrophobicContact CD2-CE2 4.28Å; W197-F214 AromaticContact CE2-CD2 3.27Å; W197-F214 AromaticContact CE2-CE2 3.47Å; W197-F214 VanDerWaalsContact CE2-CE2 3.47Å; W197-F214 HydrophobicContact CE3-CB 4.38Å; W197-F214 HydrophobicContact CE3-CD2 4.04Å; W197-F214 HydrophobicContact CG-CD2 4.21Å; W197-F214 AromaticContact CH2-CD2 3.82Å; W197-F214 HydrophobicContact CH2-CD2 3.82Å; W197-F214 HydrophobicContact CH2-CE2 4.24Å; W197-F214 HydrophobicContact CH2-CG 4.32Å; W197-F214 AromaticContact CZ2-CD2 3.38Å; W197-F214 HydrophobicContact CZ2-CD2 3.38Å; W197-F214 AromaticContact CZ2-CE2 3.44Å; W197-F214 HydrophobicContact CZ2-CE2 3.44Å; W197-F214 VanDerWaalsContact CZ2-CE2 3.44Å; W197-F214 HydrophobicContact CZ2-CG 4.28Å; W197-F214 HydrophobicContact CZ2-CZ 4.41Å; W197-F214 HydrophobicContact CZ3-CB 4.37Å; W197-F214 HydrophobicContact CZ3-CD2 4.13Å; W197-F214 HydrophobicContact CZ3-CG 4.49Å; W197-F214 AromaticContact NE1-CD2 3.64Å; W197-F214 AromaticContact NE1-CE2 3.54Å; W197-M240 HydrophobicContact CZ2-CG 4.34Å; W197-V241 HydrophobicContact CH2-CG2 4.11Å; W197-V241 HydrophobicContact CZ3-CG1 4.44Å; W197-V241 HydrophobicContact CZ3-CG2 4.29Å; W197-F244 HydrophobicContact CH2-CB 4.28Å; W197-F244 HydrophobicContact CH2-CD1 4.48Å; W197-F244 AromaticContact CH2-CD2 3.54Å; W197-F244 HydrophobicContact CH2-CD2 3.54Å; W197-F244 AromaticContact CH2-CE2 3.97Å; W197-F244 HydrophobicContact CH2-CE2 3.97Å; W197-F244 AromaticContact CH2-CG 3.84Å; W197-F244 HydrophobicContact CH2-CG 3.84Å; W197-F244 AromaticContact CZ2-CD2 3.71Å; W197-F244 HydrophobicContact CZ2-CD2 3.71Å; W197-F244 HydrophobicContact CZ2-CE1 4.5Å; W197-F244 AromaticContact CZ2-CE2 3.61Å; W197-F244 HydrophobicContact CZ2-CE2 3.61Å; W197-F244 HydrophobicContact CZ2-CG 4.22Å; W197-F244 HydrophobicContact CZ2-CZ 4.04Å |
| 198 | R | 98.1 | Very high | 90.5 | Very high | 153 Ų | 153 | 59.6 Ų | 59.6 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.6 | 171.4 | -39.6 | 178.5 | 84.2 | 156.4 | 1 | 108.8 | H178 L179 V196 D213 | H178-R198 WeakPolarHBondContact O-CA 3.41Å; L179-R198 HydrophobicContact CD1-CG 4.11Å; V196-R198 HydrophobicContact CG1-CG 3.85Å; R198-D213 HydrophobicContact CB-CB 4.07Å; R198-D213 HydrophobicContact CG-CB 4.42Å; R198-D213 PolarHBondContact N-O 2.75Å; R198-D213 PolarHBondContact O-N 2.95Å |
| 199 | F | 97.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.7 | -179.2 | -50.3 | -73 | 0 | 0 | 0 | 108.1 | M120 I123 Y124 V127 P177 H178 V180 W197 V212 | M120-F199 HydrophobicContact CB-CB 4.31Å; M120-F199 HydrophobicContact CE-CB 4.31Å; M120-F199 VanDerWaalsContact CE-O 3.29Å; M120-F199 WeakPolarHBondContact CE-O 3.32Å; M120-F199 HydrophobicContact CG-CB 4.34Å; I123-F199 HydrophobicContact CB-CE1 4.33Å; I123-F199 HydrophobicContact CG1-CE1 3.99Å; I123-F199 HydrophobicContact CG2-CD1 3.4Å; I123-F199 VanDerWaalsContact CG2-CD1 3.4Å; I123-F199 HydrophobicContact CG2-CE1 3.55Å; I123-F199 HydrophobicContact CG2-CG 4.26Å; I123-F199 HydrophobicContact CG2-CZ 4.49Å; Y124-F199 AromaticContact CD2-CD2 3.98Å; Y124-F199 HydrophobicContact CD2-CD2 3.98Å; Y124-F199 AromaticContact CD2-CE2 3.8Å; Y124-F199 HydrophobicContact CD2-CE2 3.8Å; Y124-F199 HydrophobicContact CG-CE2 4.39Å; V127-F199 HydrophobicContact CB-CZ 4.01Å; V127-F199 HydrophobicContact CG1-CZ 4.24Å; V127-F199 HydrophobicContact CG2-CE1 4.4Å; V127-F199 HydrophobicContact CG2-CZ 3.94Å; P177-F199 WeakPolarHBondContact O-CB 3.32Å; P177-F199 WeakPolarHBondContact O-CD2 3.31Å; H178-F199 PolarHBondContact O-N 3.37Å; V180-F199 HydrophobicContact CG2-CE2 4.24Å; W197-F199 HydrophobicContact CB-CE1 4.37Å; W197-F199 HydrophobicContact CB-CE2 4.05Å; W197-F199 HydrophobicContact CB-CZ 3.7Å; W197-F199 HydrophobicContact CE3-CE1 4.25Å; W197-F199 HydrophobicContact CE3-CZ 4.37Å; W197-F199 HydrophobicContact CG-CZ 4.45Å; F199-V212 HydrophobicContact CD1-CG2 4.12Å; F199-V212 HydrophobicContact CE1-CG1 4.39Å; F199-V212 HydrophobicContact CE1-CG2 4.36Å |
| 200 | S | 96.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.5 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | M120 G202 C210 T211 | M120-S200 VanDerWaalsContact SD-C 3.53Å; S200-G202 PolarHBondContact O-N 3.27Å; S200-C210 PolarHBondContact O-SG 3.29Å; S200-C210 VanDerWaalsContact O-SG 3.41Å; S200-T211 PolarHBondContact N-O 3.34Å; S200-T211 PolarHBondContact O-N 2.95Å |
| 201 | P | 95.6 | Very high | 93 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -49.6 | 139.8 | 174.2 | -28.4 | 36.1 | 0 | 0 | 0 | 111.8 | M120 T211 | M120-P201 HydrophobicContact SD-CB 4.47Å; M120-P201 HydrophobicContact SD-CG 3.98Å; M120-P201 VanDerWaalsContact SD-N 3.4Å; P201-T211 PolarHBondContact O-OG1 2.86Å |
| 202 | G | 92.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | trans | -80.2 | -142.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S200 T209 | S200-G202 PolarHBondContact O-N 3.27Å; G202-T209 WeakPolarHBondContact CA-O 3.39Å; G202-T209 WeakPolarHBondContact CA-OG1 3.08Å; G202-T209 PolarHBondContact N-O 2.79Å | ||
| 203 | L | 91.4 | Very high | 94 | Very high | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | trans | -75.4 | 135.8 | -175.3 | -66.8 | 165.9 | 0 | 0 | 0 | 111.5 | I115 G205 Y206 T209 I258 L262 | I115-L203 HydrophobicContact CD1-CD1 4.29Å; I115-L203 HydrophobicContact CD1-CD2 3.64Å; I115-L203 HydrophobicContact CD1-CG 3.84Å; I115-L203 HydrophobicContact CG2-CD1 4.32Å; I115-L203 HydrophobicContact CG2-CG 4.31Å; L203-G205 PolarHBondContact O-N 2.76Å; L203-Y206 HydrophobicContact CB-CD2 3.86Å; L203-Y206 HydrophobicContact CB-CG 4.35Å; L203-Y206 HydrophobicContact CD1-CD2 4.5Å; L203-Y206 PolarHBondContact O-N 2.66Å; L203-T209 PolarHBondContact N-OG1 2.93Å; L203-I258 HydrophobicContact CD1-CG2 3.6Å; L203-L262 HydrophobicContact CD1-CB 3.71Å; L203-L262 HydrophobicContact CD1-CD1 3.98Å; L203-L262 HydrophobicContact CD1-CG 4.45Å; L203-L262 HydrophobicContact CD2-CB 4.22Å | ||
| 204 | P | 88.6 | Confident | 94.3 | Very high | 122 Ų | 122 | 47.7 Ų | 47.7 | 79% | 0.792 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 133.9 | 168.9 | -23.9 | 33.7 | 0 | 0 | 0 | 111.1 | Y206 | P204-Y206 VanDerWaalsContact C-N 3.28Å; P204-Y206 PolarHBondContact O-N 2.94Å |
| 205 | G | 88 | Confident | 94.3 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 81% | 0.814 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L203 P207 | L203-G205 PolarHBondContact O-N 2.76Å; G205-P207 WeakPolarHBondContact O-CD 3.31Å |
| 206 | Y | 90.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | trans | -118.7 | 84.9 | 176.3 | -64 | -98.4 | 0 | 0 | 0 | 110.1 | L203 P204 R208 T209 T256 L262 | L203-Y206 HydrophobicContact CB-CD2 3.86Å; L203-Y206 HydrophobicContact CB-CG 4.35Å; L203-Y206 HydrophobicContact CD1-CD2 4.5Å; L203-Y206 PolarHBondContact O-N 2.66Å; P204-Y206 VanDerWaalsContact C-N 3.28Å; P204-Y206 PolarHBondContact O-N 2.94Å; Y206-R208 PolarHBondContact O-N 2.9Å; Y206-R208 VanDerWaalsContact O-N 3.08Å; Y206-T209 HydrophobicContact CG-CG2 4.42Å; Y206-T209 PolarHBondContact O-N 2.85Å; Y206-T209 PolarHBondContact O-OG1 2.97Å; Y206-T256 HydrophobicContact CD1-CG2 4.31Å; Y206-L262 HydrophobicContact CE2-CD1 4.41Å | ||
| 207 | P | 87.8 | Confident | 93.8 | Very high | 129 Ų | 129 | 45.6 Ų | 45.6 | 84% | 0.838 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | -169.8 | 26.3 | -35.4 | 0 | 0 | 0 | 113.9 | G205 | G205-P207 WeakPolarHBondContact O-CD 3.31Š|
| 208 | R | 94.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 25% | 0.249 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 42.1 | 178.1 | -160.2 | -176.3 | 179.4 | -140 | 5.5 | 111.8 | G117 Y118 E122 Y206 H252 A254 | G117-R208 CarbonylContact C-O 3.09Å; Y118-R208 CarbonylContact C-O 3.58Å; Y118-R208 VanDerWaalsContact C-O 3.28Å; Y118-R208 WeakPolarHBondContact CA-O 3.4Å; Y118-R208 PolarHBondContact N-O 2.82Å; Y118-R208 VanDerWaalsContact N-O 3.14Å; E122-R208 IonicContact OE1-CZ 3.94Å; E122-R208 VanDerWaalsContact OE1-CZ 3.25Å; E122-R208 IonicContact OE1-NE 2.77Å; E122-R208 PolarHBondContact OE1-NE 2.97Å; E122-R208 IonicContact OE1-NH2 3.16Å; E122-R208 PolarHBondContact OE1-NH2 2.75Å; E122-R208 WeakPolarHBondContact OE2-CG 3.43Å; E122-R208 IonicContact OE2-NE 2.7Å; E122-R208 PolarHBondContact OE2-NE 3.19Å; Y206-R208 PolarHBondContact O-N 2.9Å; Y206-R208 VanDerWaalsContact O-N 3.08Å; R208-H252 PolarHBondContact NH2-O 2.94Å; R208-A254 PolarHBondContact NH1-O 2.97Å |
| 209 | T | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -128 | 153 | 172.8 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | I116 Y118 G202 L203 Y206 T256 I258 | I116-T209 WeakPolarHBondContact O-CA 3.32Å; Y118-T209 CarbonylContact O-C 3.59Å; Y118-T209 VanDerWaalsContact O-CA 3.3Å; Y118-T209 WeakPolarHBondContact O-CA 3.3Å; G202-T209 WeakPolarHBondContact CA-O 3.39Å; G202-T209 WeakPolarHBondContact CA-OG1 3.08Å; G202-T209 PolarHBondContact N-O 2.79Å; L203-T209 PolarHBondContact N-OG1 2.93Å; Y206-T209 HydrophobicContact CG-CG2 4.42Å; Y206-T209 PolarHBondContact O-N 2.85Å; Y206-T209 PolarHBondContact O-OG1 2.97Å; T209-T256 HydrophobicContact CG2-CG2 4.43Å; T209-I258 HydrophobicContact CG2-CD1 4.02Å; T209-I258 HydrophobicContact CG2-CG1 3.92Å | ||
| 210 | C | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 140.6 | -177.3 | 179.2 | 0 | 0 | 0 | 0 | 109 | I115 I116 Y118 M120 I123 S200 | I115-C210 WeakPolarHBondContact CA-O 3.13Å; I116-C210 HydrophobicContact CG1-CB 4.06Å; I116-C210 PolarHBondContact N-O 2.84Å; I116-C210 PolarHBondContact O-N 2.76Å; I116-C210 VanDerWaalsContact O-N 3.13Å; Y118-C210 WeakPolarHBondContact O-CB 3.46Å; Y118-C210 PolarHBondContact O-N 3.49Å; M120-C210 HydrophobicContact CG-CB 4.12Å; M120-C210 VanDerWaalsContact CG-SG 3.53Å; I123-C210 HydrophobicContact CG2-CB 4.43Å; S200-C210 PolarHBondContact O-SG 3.29Å; S200-C210 VanDerWaalsContact O-SG 3.41Å |
| 211 | T | 95.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.8 | 163.7 | -54 | 0 | 0 | 0 | 0 | 108.1 | R113 S200 P201 F264 | R113-T211 HydrophobicContact CG-CG2 4.04Å; S200-T211 PolarHBondContact N-O 3.34Å; S200-T211 PolarHBondContact O-N 2.95Å; P201-T211 PolarHBondContact O-OG1 2.86Å; T211-F264 HydrophobicContact CG2-CE2 4.33Å; T211-F264 HydrophobicContact CG2-CZ 3.93Å |
| 212 | V | 96.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.6 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | R113 R114 I116 I123 W197 F199 | R113-V212 VanDerWaalsContact CA-O 3.31Å; R113-V212 WeakPolarHBondContact CA-O 3.37Å; R114-V212 PolarHBondContact N-O 2.89Å; R114-V212 PolarHBondContact O-N 3.16Å; I116-V212 HydrophobicContact CD1-CG2 3.55Å; I116-V212 HydrophobicContact CG1-CG2 3.89Å; I116-V212 HydrophobicContact CG2-CG2 4.37Å; I123-V212 HydrophobicContact CG1-CG2 4.4Å; I123-V212 HydrophobicContact CG2-CG2 4.42Å; W197-V212 HydrophobicContact CE3-CG1 3.74Å; W197-V212 HydrophobicContact CZ3-CG1 3.86Å; F199-V212 HydrophobicContact CD1-CG2 4.12Å; F199-V212 HydrophobicContact CE1-CG1 4.39Å; F199-V212 HydrophobicContact CE1-CG2 4.36Å |
| 213 | D | 96.1 | Very high | 87.7 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 104.5 | 167.5 | -54.3 | -87.5 | 0 | 0 | 0 | 108.2 | R113 W197 R198 | R113-D213 WeakPolarHBondContact CD-OD1 3.17Å; R113-D213 WeakPolarHBondContact CG-OD1 3.5Å; R113-D213 IonicContact CZ-OD1 2.69Å; R113-D213 IonicContact NE-OD1 2.74Å; R113-D213 PolarHBondContact NE-OD1 2.78Å; R113-D213 VanDerWaalsContact NE-OD1 3.16Å; W197-D213 CarbonylContact C-O 3.49Å; W197-D213 WeakPolarHBondContact CA-O 3.35Å; R198-D213 HydrophobicContact CB-CB 4.07Å; R198-D213 HydrophobicContact CG-CB 4.42Å; R198-D213 PolarHBondContact N-O 2.75Å; R198-D213 PolarHBondContact O-N 2.95Å |
| 214 | F | 95.5 | Very high | 86.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.5 | 174.5 | 175.4 | -113 | 0 | 0 | 0 | 109.8 | Y110 S111 E112 T195 V196 W197 I216 V236 M240 V241 | Y110-F214 AromaticContact CD1-CD1 3.89Å; Y110-F214 HydrophobicContact CD1-CD1 3.89Å; Y110-F214 AromaticContact CD1-CE1 3.63Å; Y110-F214 HydrophobicContact CD1-CE1 3.63Å; Y110-F214 AromaticContact CE1-CD1 3.67Å; Y110-F214 HydrophobicContact CE1-CD1 3.67Å; Y110-F214 AromaticContact CE1-CE1 3.67Å; Y110-F214 HydrophobicContact CE1-CE1 3.67Å; S111-F214 CarbonylContact C-O 3.48Å; S111-F214 WeakPolarHBondContact CA-O 3.27Å; S111-F214 WeakPolarHBondContact CB-O 3.2Å; E112-F214 HydrophobicContact CB-CB 4.42Å; E112-F214 HydrophobicContact CB-CD1 4.41Å; E112-F214 PolarHBondContact N-O 2.87Å; E112-F214 PolarHBondContact O-N 2.84Å; T195-F214 HydrophobicContact CG2-CD2 4.36Å; T195-F214 HydrophobicContact CG2-CE2 3.49Å; T195-F214 VanDerWaalsContact CG2-CE2 3.49Å; T195-F214 HydrophobicContact CG2-CZ 4.18Å; V196-F214 CarbonylContact O-C 3.58Å; W197-F214 AromaticContact CD2-CD2 3.63Å; W197-F214 HydrophobicContact CD2-CD2 3.63Å; W197-F214 HydrophobicContact CD2-CE2 4.28Å; W197-F214 AromaticContact CE2-CD2 3.27Å; W197-F214 AromaticContact CE2-CE2 3.47Å; W197-F214 VanDerWaalsContact CE2-CE2 3.47Å; W197-F214 HydrophobicContact CE3-CB 4.38Å; W197-F214 HydrophobicContact CE3-CD2 4.04Å; W197-F214 HydrophobicContact CG-CD2 4.21Å; W197-F214 AromaticContact CH2-CD2 3.82Å; W197-F214 HydrophobicContact CH2-CD2 3.82Å; W197-F214 HydrophobicContact CH2-CE2 4.24Å; W197-F214 HydrophobicContact CH2-CG 4.32Å; W197-F214 AromaticContact CZ2-CD2 3.38Å; W197-F214 HydrophobicContact CZ2-CD2 3.38Å; W197-F214 AromaticContact CZ2-CE2 3.44Å; W197-F214 HydrophobicContact CZ2-CE2 3.44Å; W197-F214 VanDerWaalsContact CZ2-CE2 3.44Å; W197-F214 HydrophobicContact CZ2-CG 4.28Å; W197-F214 HydrophobicContact CZ2-CZ 4.41Å; W197-F214 HydrophobicContact CZ3-CB 4.37Å; W197-F214 HydrophobicContact CZ3-CD2 4.13Å; W197-F214 HydrophobicContact CZ3-CG 4.49Å; W197-F214 AromaticContact NE1-CD2 3.64Å; W197-F214 AromaticContact NE1-CE2 3.54Å; F214-I216 HydrophobicContact CE1-CB 4.35Å; F214-I216 HydrophobicContact CE1-CG2 3.76Å; F214-I216 HydrophobicContact CZ-CB 3.91Å; F214-I216 HydrophobicContact CZ-CG2 3.76Å; F214-V236 HydrophobicContact CE1-CG1 4.19Å; F214-M240 HydrophobicContact CE1-CB 4.13Å; F214-M240 HydrophobicContact CE1-CG 3.87Å; F214-M240 HydrophobicContact CE2-CG 4.11Å; F214-M240 HydrophobicContact CZ-CB 4.29Å; F214-M240 HydrophobicContact CZ-CG 3.54Å; F214-V241 HydrophobicContact CB-CG2 3.88Å; F214-V241 HydrophobicContact CD1-CG2 3.93Å; F214-V241 HydrophobicContact CG-CG2 3.96Å |
| 215 | A | 94.1 | Very high | 84.6 | Confident | 38 Ų | 38 | 49 Ų | 49 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y110 T195 V196 | Y110-A215 CarbonylContact O-C 3.57Å; Y110-A215 WeakPolarHBondContact O-CA 3.44Å; T195-A215 CarbonylContact C-O 3.52Å; T195-A215 WeakPolarHBondContact CA-O 3.16Å; V196-A215 PolarHBondContact N-O 3.18Å; V196-A215 PolarHBondContact O-N 2.89Å |
| 216 | I | 92.3 | Very high | 83.2 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.3 | 174.6 | -177.9 | 171.1 | 0 | 0 | 0 | 109.2 | E109 Y110 L193 E194 T195 F214 F218 F232 V236 | E109-I216 WeakPolarHBondContact CA-O 3.45Å; Y110-I216 HydrophobicContact CD1-CG2 3.96Å; Y110-I216 HydrophobicContact CG-CG2 4.42Å; Y110-I216 PolarHBondContact N-O 3.46Å; Y110-I216 PolarHBondContact O-N 3.31Å; L193-I216 HydrophobicContact CD1-CD1 4.23Å; L193-I216 HydrophobicContact CD1-CG1 4.28Å; E194-I216 CarbonylContact O-C 3.59Å; E194-I216 VanDerWaalsContact O-CA 3.29Å; E194-I216 WeakPolarHBondContact O-CA 3.34Å; T195-I216 HydrophobicContact CG2-CB 4.4Å; F214-I216 HydrophobicContact CE1-CB 4.35Å; F214-I216 HydrophobicContact CE1-CG2 3.76Å; F214-I216 HydrophobicContact CZ-CB 3.91Å; F214-I216 HydrophobicContact CZ-CG2 3.76Å; I216-F218 HydrophobicContact CG1-CD1 4.43Å; I216-F232 HydrophobicContact CD1-CE1 4.17Å; I216-F232 HydrophobicContact CD1-CZ 4.19Å; I216-V236 HydrophobicContact CD1-CG2 4.47Å; I216-V236 HydrophobicContact CG2-CG1 3.68Å |
| 217 | S | 90.4 | Very high | 81.9 | Confident | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.4 | 174.1 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | R107 K108 H192 L193 E194 | R107-S217 PolarHBondContact NH2-OG 2.7Å; K108-S217 CarbonylContact O-C 3.5Å; K108-S217 VanDerWaalsContact O-CA 3.27Å; K108-S217 WeakPolarHBondContact O-CA 3.49Å; H192-S217 PolarHBondContact CD2-O 2.8Å; H192-S217 PolarHBondContact NE2-OG 2.96Å; L193-S217 CarbonylContact C-O 3.39Å; L193-S217 WeakPolarHBondContact CA-O 3.34Å; E194-S217 PolarHBondContact N-O 3.08Å; E194-S217 PolarHBondContact O-N 2.77Å |
| 218 | F | 86.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.6 | -178.9 | 67.8 | -88.1 | 0 | 0 | 0 | 113.1 | R107 K108 F190 H192 L193 I216 F220 A229 F232 F233 | R107-F218 WeakPolarHBondContact CA-O 3.35Å; K108-F218 HydrophobicContact CB-CD1 4.41Å; K108-F218 HydrophobicContact CB-CE1 3.89Å; K108-F218 HydrophobicContact CB-CE2 4.08Å; K108-F218 HydrophobicContact CB-CZ 3.71Å; K108-F218 HydrophobicContact CD-CE2 3.93Å; K108-F218 HydrophobicContact CD-CZ 3.65Å; K108-F218 HydrophobicContact CG-CE2 4.36Å; K108-F218 HydrophobicContact CG-CZ 4.23Å; K108-F218 PolarHBondContact N-O 2.77Å; K108-F218 PolarHBondContact O-N 2.81Å; F190-F218 HydrophobicContact CD1-CB 4.34Å; F190-F218 HydrophobicContact CE1-CB 4.4Å; F190-F218 HydrophobicContact CE1-CD2 4.46Å; H192-F218 CarbonylContact O-C 3.54Å; H192-F218 WeakPolarHBondContact O-CA 3.28Å; L193-F218 HydrophobicContact CB-CB 4.45Å; L193-F218 HydrophobicContact CD1-CB 3.83Å; I216-F218 HydrophobicContact CG1-CD1 4.43Å; F218-F220 AromaticContact CD2-CD2 3.85Å; F218-F220 HydrophobicContact CD2-CD2 3.85Å; F218-F220 AromaticContact CD2-CE2 3.66Å; F218-F220 HydrophobicContact CD2-CE2 3.66Å; F218-F220 HydrophobicContact CD2-CZ 4.48Å; F218-F220 AromaticContact CE2-CD2 3.82Å; F218-F220 HydrophobicContact CE2-CD2 3.82Å; F218-F220 AromaticContact CE2-CE2 3.46Å; F218-F220 HydrophobicContact CE2-CE2 3.46Å; F218-F220 VanDerWaalsContact CE2-CE2 3.46Å; F218-F220 HydrophobicContact CE2-CZ 4.49Å; F218-A229 HydrophobicContact CE2-CB 4.16Å; F218-F232 HydrophobicContact CD1-CD1 4.12Å; F218-F232 AromaticContact CD1-CE1 3.76Å; F218-F232 HydrophobicContact CD1-CE1 3.76Å; F218-F232 AromaticContact CE1-CD1 3.49Å; F218-F232 HydrophobicContact CE1-CD1 3.49Å; F218-F232 VanDerWaalsContact CE1-CD1 3.49Å; F218-F232 AromaticContact CE1-CE1 3.53Å; F218-F232 HydrophobicContact CE1-CE1 3.53Å; F218-F232 AromaticContact CE2-CD1 3.96Å; F218-F232 HydrophobicContact CE2-CD1 3.96Å; F218-F232 HydrophobicContact CE2-CE1 4.47Å; F218-F232 HydrophobicContact CG-CE1 4.32Å; F218-F232 AromaticContact CZ-CD1 3.39Å; F218-F232 HydrophobicContact CZ-CD1 3.39Å; F218-F232 AromaticContact CZ-CE1 3.92Å; F218-F232 HydrophobicContact CZ-CE1 3.92Å; F218-F232 HydrophobicContact CZ-CG 4.42Å; F218-F233 HydrophobicContact CE1-CD2 4.42Å; F218-F233 HydrophobicContact CZ-CB 4.16Å |
| 219 | E | 84.9 | Confident | 79.5 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 117.5 | 176.7 | -170.2 | -165 | 136.3 | 0 | 0 | 108 | R107 F190 N191 H192 | R107-E219 HydrophobicContact CB-CB 4.46Å; F190-E219 CarbonylContact C-O 3.49Å; F190-E219 VanDerWaalsContact CA-O 3.32Å; F190-E219 WeakPolarHBondContact CA-O 3.37Å; N191-E219 HydrophobicContact CB-CB 4.23Å; N191-E219 HydrophobicContact CB-CG 4.19Å; N191-E219 WeakPolarHBondContact CB-OE1 3.32Å; N191-E219 PolarHBondContact N-O 3.25Å; N191-E219 PolarHBondContact ND2-OE1 3.08Å; H192-E219 HydrophobicContact CB-CB 3.91Å; H192-E219 PolarHBondContact N-O 3Å; H192-E219 PolarHBondContact O-N 3.33Å |
| 220 | F | 77.9 | Confident | 78.5 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 144.5 | 176.5 | -76.4 | -78.4 | 0 | 0 | 0 | 110.9 | L189 F190 F218 H225 A229 | L189-F220 HydrophobicContact CD1-CD1 3.89Å; L189-F220 HydrophobicContact CD1-CE1 3.87Å; L189-F220 HydrophobicContact CD2-CE1 4.43Å; L189-F220 HydrophobicContact CG-CD1 4.15Å; L189-F220 HydrophobicContact CG-CE1 4.02Å; F190-F220 AromaticContact CD1-CD1 3.84Å; F190-F220 HydrophobicContact CD1-CD1 3.84Å; F190-F220 AromaticContact CD1-CE1 3.86Å; F190-F220 HydrophobicContact CD1-CE1 3.86Å; F190-F220 HydrophobicContact CD1-CG 4.34Å; F190-F220 HydrophobicContact CD1-CZ 4.37Å; F190-F220 AromaticContact CE1-CD1 3.65Å; F190-F220 HydrophobicContact CE1-CD1 3.65Å; F190-F220 HydrophobicContact CE1-CD2 4.46Å; F190-F220 AromaticContact CE1-CE1 3.17Å; F190-F220 HydrophobicContact CE1-CE1 3.17Å; F190-F220 HydrophobicContact CE1-CE2 4.08Å; F190-F220 HydrophobicContact CE1-CG 4.29Å; F190-F220 AromaticContact CE1-CZ 3.43Å; F190-F220 HydrophobicContact CE1-CZ 3.43Å; F190-F220 VanDerWaalsContact CE1-CZ 3.43Å; F190-F220 HydrophobicContact CZ-CD1 4.46Å; F190-F220 AromaticContact CZ-CE1 3.69Å; F190-F220 HydrophobicContact CZ-CE1 3.69Å; F190-F220 HydrophobicContact CZ-CZ 4.01Å; F218-F220 AromaticContact CD2-CD2 3.85Å; F218-F220 HydrophobicContact CD2-CD2 3.85Å; F218-F220 AromaticContact CD2-CE2 3.66Å; F218-F220 HydrophobicContact CD2-CE2 3.66Å; F218-F220 HydrophobicContact CD2-CZ 4.48Å; F218-F220 AromaticContact CE2-CD2 3.82Å; F218-F220 HydrophobicContact CE2-CD2 3.82Å; F218-F220 AromaticContact CE2-CE2 3.46Å; F218-F220 HydrophobicContact CE2-CE2 3.46Å; F218-F220 VanDerWaalsContact CE2-CE2 3.46Å; F218-F220 HydrophobicContact CE2-CZ 4.49Å; F220-H225 HydrophobicContact CB-CB 3.96Å; F220-H225 HydrophobicContact CD1-CB 4.05Å; F220-H225 HydrophobicContact CG-CB 3.95Å; F220-A229 HydrophobicContact CD2-CB 3.54Å; F220-A229 HydrophobicContact CE2-CB 3.7Å |
| 221 | R | 74.8 | Confident | 77.5 | Confident | 161 Ų | 161 | 51.2 Ų | 51.2 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -75.2 | -25.7 | -178.3 | -175.7 | 168.4 | 172.3 | 179.4 | -1.5 | 114.6 | G187 L189 N191 | G187-R221 WeakPolarHBondContact O-CD 2.89Å; G187-R221 PolarHBondContact O-NH1 2.91Å; L189-R221 PolarHBondContact O-N 3.47Å; N191-R221 VanDerWaalsContact OD1-CB 3.31Å; N191-R221 WeakPolarHBondContact OD1-CB 3.46Å; N191-R221 VanDerWaalsContact OD1-CG 3.27Å; N191-R221 WeakPolarHBondContact OD1-CG 3.38Å |
| 222 | S | 70.2 | Confident | 76.4 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | trans | -120.7 | 138.5 | -173.8 | 166.5 | 0 | 0 | 0 | 0 | 112.7 | L224 H225 | S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.26Å; S222-L224 PolarHBondContact OG-N 2.95Å; S222-H225 WeakPolarHBondContact O-CA 3.27Å; S222-H225 VanDerWaalsContact O-CB 3.27Å; S222-H225 WeakPolarHBondContact O-CB 3.44Å; S222-H225 PolarHBondContact O-N 2.93Å | ||
| 223 | L | 55.2 | Low | 75.5 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64.7 | -27 | -179.2 | -62.8 | 169.7 | 0 | 0 | 0 | 114.2 | L104 H225 S226 | L104-L223 HydrophobicContact CB-CD2 4.26Å; L104-L223 HydrophobicContact CD2-CD1 3.23Å; L104-L223 HydrophobicContact CD2-CD2 3.39Å; L104-L223 HydrophobicContact CD2-CG 3.89Å; L104-L223 HydrophobicContact CG-CD2 4.38Å; L104-L223 WeakPolarHBondContact O-CD2 3.29Å; L223-H225 PolarHBondContact O-N 2.93Å; L223-H225 VanDerWaalsContact O-N 3.16Å; L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 3.36Å; L223-S226 PolarHBondContact O-OG 2.88Å |
| 224 | L | 57.1 | Low | 74.6 | Confident | 150 Ų | 150 | 54.1 Ų | 54.1 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.8 | 171.5 | -70.3 | 171.1 | 0 | 0 | 0 | 111.7 | S222 | S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.26Å; S222-L224 PolarHBondContact OG-N 2.95Å |
| 225 | H | 57.9 | Low | 73.6 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -93.7 | -1.9 | 175.6 | -61.2 | 79 | 0 | 0 | 0 | 113.7 | F220 S222 L223 Q227 L228 A229 | F220-H225 HydrophobicContact CB-CB 3.96Å; F220-H225 HydrophobicContact CD1-CB 4.05Å; F220-H225 HydrophobicContact CG-CB 3.95Å; S222-H225 WeakPolarHBondContact O-CA 3.27Å; S222-H225 VanDerWaalsContact O-CB 3.27Å; S222-H225 WeakPolarHBondContact O-CB 3.44Å; S222-H225 PolarHBondContact O-N 2.93Å; L223-H225 PolarHBondContact O-N 2.93Å; L223-H225 VanDerWaalsContact O-N 3.16Å; H225-Q227 PolarHBondContact O-N 2.85Å; H225-L228 CarbonylContact O-C 3.53Å; H225-L228 PolarHBondContact O-N 2.83Å; H225-A229 WeakPolarHBondContact O-CB 3.32Å; H225-A229 PolarHBondContact O-N 2.83Å |
| 226 | S | 58.7 | Low | 72.8 | Confident | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 178.9 | 61 | 0 | 0 | 0 | 0 | 112.2 | L223 A229 N230 | L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 3.36Å; L223-S226 PolarHBondContact O-OG 2.88Å; S226-A229 VanDerWaalsContact O-CB 3.29Å; S226-A229 WeakPolarHBondContact O-CB 3.47Å; S226-A229 PolarHBondContact O-N 2.72Å; S226-N230 PolarHBondContact O-N 2.89Å |
| 227 | Q | 63.2 | Low | 72 | Confident | 153 Ų | 153 | 56 Ų | 56 | 72% | 0.715 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 172.1 | -68.2 | -177.5 | -16.4 | 0 | 0 | 111.6 | H225 A229 N230 V231 | H225-Q227 PolarHBondContact O-N 2.85Å; Q227-A229 PolarHBondContact O-N 2.91Å; Q227-N230 PolarHBondContact O-N 2.79Å; Q227-V231 PolarHBondContact O-N 3.38Å |
| 228 | L | 64.3 | Low | 71.4 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -28.2 | 174.4 | -65.6 | 171.3 | 0 | 0 | 0 | 112.1 | F161 V164 H225 N230 V231 F232 | F161-L228 HydrophobicContact CB-CD2 4.44Å; V164-L228 HydrophobicContact CB-CD1 3.89Å; V164-L228 HydrophobicContact CG1-CD1 4.24Å; V164-L228 HydrophobicContact CG2-CD1 3.52Å; H225-L228 CarbonylContact O-C 3.53Å; H225-L228 PolarHBondContact O-N 2.83Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 2.88Å; L228-V231 PolarHBondContact O-N 2.84Å; L228-F232 WeakPolarHBondContact O-CB 3.38Å; L228-F232 PolarHBondContact O-N 2.85Å |
| 229 | A | 68.1 | Low | 71.2 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K108 F218 F220 H225 S226 Q227 F233 | K108-A229 HydrophobicContact CD-CB 4.31Å; K108-A229 PolarHBondContact NZ-O 2.64Å; F218-A229 HydrophobicContact CE2-CB 4.16Å; F220-A229 HydrophobicContact CD2-CB 3.54Å; F220-A229 HydrophobicContact CE2-CB 3.7Å; H225-A229 WeakPolarHBondContact O-CB 3.32Å; H225-A229 PolarHBondContact O-N 2.83Å; S226-A229 VanDerWaalsContact O-CB 3.29Å; S226-A229 WeakPolarHBondContact O-CB 3.47Å; S226-A229 PolarHBondContact O-N 2.72Å; Q227-A229 PolarHBondContact O-N 2.91Å; A229-F233 WeakPolarHBondContact O-CB 3.45Å; A229-F233 PolarHBondContact O-N 3.42Å; A229-F233 VanDerWaalsContact O-N 3.14Å |
| 230 | N | 73.9 | Confident | 71.3 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 170.9 | -67.8 | -25.7 | 0 | 0 | 0 | 110.2 | K108 S226 Q227 L228 F232 F233 D234 | K108-N230 VanDerWaalsContact NZ-CA 3.27Å; K108-N230 PolarHBondContact NZ-OD1 2.68Å; S226-N230 PolarHBondContact O-N 2.89Å; Q227-N230 PolarHBondContact O-N 2.79Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 2.88Å; N230-F232 PolarHBondContact O-N 3.2Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 2.98Å; N230-D234 VanDerWaalsContact O-CG 3.25Å; N230-D234 PolarHBondContact O-N 3.15Å |
| 231 | V | 73.3 | Confident | 71.8 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | F161 Q227 L228 F233 D234 E235 | F161-V231 HydrophobicContact CD1-CG1 4.07Å; Q227-V231 PolarHBondContact O-N 3.38Å; L228-V231 PolarHBondContact O-N 2.84Å; V231-F233 VanDerWaalsContact C-N 3.27Å; V231-F233 PolarHBondContact O-N 3.17Å; V231-D234 PolarHBondContact O-N 3.04Å; V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CB 3.15Å; V231-E235 WeakPolarHBondContact O-CG 3.27Å; V231-E235 PolarHBondContact O-N 3.09Å |
| 232 | F | 73.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 6% | 0.057 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.6 | -45.4 | 176.6 | 177.5 | -87.6 | 0 | 0 | 0 | 111.6 | W139 F161 I216 F218 L228 N230 E235 V236 | W139-F232 HydrophobicContact CE3-CD2 4.44Å; W139-F232 HydrophobicContact CE3-CE2 4.23Å; F161-F232 HydrophobicContact CD2-CD2 4.49Å; F161-F232 HydrophobicContact CE1-CB 4.34Å; F161-F232 HydrophobicContact CE1-CD2 4.31Å; F161-F232 HydrophobicContact CE2-CB 4.34Å; F161-F232 AromaticContact CE2-CD2 3.37Å; F161-F232 HydrophobicContact CE2-CD2 3.37Å; F161-F232 HydrophobicContact CE2-CE2 4.1Å; F161-F232 HydrophobicContact CE2-CG 4.32Å; F161-F232 HydrophobicContact CZ-CB 3.98Å; F161-F232 AromaticContact CZ-CD2 3.23Å; F161-F232 HydrophobicContact CZ-CD2 3.23Å; F161-F232 AromaticContact CZ-CE2 3.99Å; F161-F232 HydrophobicContact CZ-CE2 3.99Å; F161-F232 HydrophobicContact CZ-CG 4.01Å; I216-F232 HydrophobicContact CD1-CE1 4.17Å; I216-F232 HydrophobicContact CD1-CZ 4.19Å; F218-F232 HydrophobicContact CD1-CD1 4.12Å; F218-F232 AromaticContact CD1-CE1 3.76Å; F218-F232 HydrophobicContact CD1-CE1 3.76Å; F218-F232 AromaticContact CE1-CD1 3.49Å; F218-F232 HydrophobicContact CE1-CD1 3.49Å; F218-F232 VanDerWaalsContact CE1-CD1 3.49Å; F218-F232 AromaticContact CE1-CE1 3.53Å; F218-F232 HydrophobicContact CE1-CE1 3.53Å; F218-F232 AromaticContact CE2-CD1 3.96Å; F218-F232 HydrophobicContact CE2-CD1 3.96Å; F218-F232 HydrophobicContact CE2-CE1 4.47Å; F218-F232 HydrophobicContact CG-CE1 4.32Å; F218-F232 AromaticContact CZ-CD1 3.39Å; F218-F232 HydrophobicContact CZ-CD1 3.39Å; F218-F232 AromaticContact CZ-CE1 3.92Å; F218-F232 HydrophobicContact CZ-CE1 3.92Å; F218-F232 HydrophobicContact CZ-CG 4.42Å; L228-F232 WeakPolarHBondContact O-CB 3.38Å; L228-F232 PolarHBondContact O-N 2.85Å; N230-F232 PolarHBondContact O-N 3.2Å; F232-E235 WeakPolarHBondContact O-CB 3.37Å; F232-E235 PolarHBondContact O-N 3.1Å; F232-V236 HydrophobicContact CD1-CG2 3.86Å; F232-V236 HydrophobicContact CE1-CG2 3.42Å; F232-V236 VanDerWaalsContact CE1-CG2 3.42Å; F232-V236 HydrophobicContact CE2-CG2 4.42Å; F232-V236 HydrophobicContact CZ-CG2 3.71Å; F232-V236 WeakPolarHBondContact O-CG2 3.2Å; F232-V236 PolarHBondContact O-N 3.27Å |
| 233 | F | 77.1 | Confident | 73.6 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -49.9 | -179.1 | 176.5 | -94 | 0 | 0 | 0 | 112.2 | K108 F218 A229 N230 V231 E235 V236 V237 H269 | K108-F233 HydrophobicContact CB-CD2 4.25Å; K108-F233 HydrophobicContact CD-CB 4.14Å; K108-F233 HydrophobicContact CD-CD2 4.17Å; K108-F233 HydrophobicContact CD-CG 4.32Å; F218-F233 HydrophobicContact CE1-CD2 4.42Å; F218-F233 HydrophobicContact CZ-CB 4.16Å; A229-F233 WeakPolarHBondContact O-CB 3.45Å; A229-F233 PolarHBondContact O-N 3.42Å; A229-F233 VanDerWaalsContact O-N 3.14Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 2.98Å; V231-F233 VanDerWaalsContact C-N 3.27Å; V231-F233 PolarHBondContact O-N 3.17Å; F233-E235 PolarHBondContact O-N 2.91Å; F233-V236 PolarHBondContact O-N 3.43Å; F233-V236 VanDerWaalsContact O-N 3.15Å; F233-V237 HydrophobicContact CD1-CG2 4.17Å; F233-V237 HydrophobicContact CE1-CG2 3.99Å; F233-V237 HydrophobicContact CZ-CG2 4.24Å; F233-V237 WeakPolarHBondContact O-CG2 3.11Å; F233-V237 PolarHBondContact O-N 3.06Å; F233-H269 HydrophobicContact CE2-CB 4.07Å; F233-H269 HydrophobicContact CZ-CB 3.56Å; F233-H269 AromaticContact CZ-CD2 3.7Å; F233-H269 AromaticContact CZ-CG 3.81Å |
| 234 | D | 77.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.3 | -38.5 | 177.6 | -67.6 | -16.8 | 0 | 0 | 0 | 111.3 | N230 V231 K238 | N230-D234 VanDerWaalsContact O-CG 3.25Å; N230-D234 PolarHBondContact O-N 3.15Å; V231-D234 PolarHBondContact O-N 3.04Å; D234-K238 WeakPolarHBondContact O-CB 3.28Å; D234-K238 VanDerWaalsContact O-CD 3.28Å; D234-K238 WeakPolarHBondContact O-CD 3.43Å; D234-K238 WeakPolarHBondContact O-CG 3.12Å; D234-K238 PolarHBondContact O-N 2.92Å; D234-K238 VanDerWaalsContact O-N 3.1Å |
| 235 | E | 75.8 | Confident | 77.3 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -48.2 | 179.2 | -91.6 | -44.6 | 105.8 | 0 | 0 | 111.5 | W139 F161 V231 F232 F233 V237 K238 Q239 | W139-E235 HydrophobicContact CD2-CB 4.23Å; W139-E235 VanDerWaalsContact CE2-CB 3.48Å; W139-E235 VanDerWaalsContact CE2-OE2 3.27Å; W139-E235 HydrophobicContact CE3-CB 4.45Å; W139-E235 HydrophobicContact CH2-CB 3.47Å; W139-E235 VanDerWaalsContact CH2-CB 3.47Å; W139-E235 WeakPolarHBondContact CH2-O 3.36Å; W139-E235 VanDerWaalsContact CZ2-C 3.43Å; W139-E235 HydrophobicContact CZ2-CB 3.14Å; W139-E235 HydrophobicContact CZ2-CG 3.73Å; W139-E235 WeakPolarHBondContact CZ2-O 3.25Å; W139-E235 WeakPolarHBondContact CZ2-OE2 3.31Å; W139-E235 HydrophobicContact CZ3-CB 4.06Å; W139-E235 PolarHBondContact NE1-OE2 2.94Å; F161-E235 HydrophobicContact CE1-CB 4.32Å; F161-E235 HydrophobicContact CE1-CG 4.2Å; V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CB 3.15Å; V231-E235 WeakPolarHBondContact O-CG 3.27Å; V231-E235 PolarHBondContact O-N 3.09Å; F232-E235 WeakPolarHBondContact O-CB 3.37Å; F232-E235 PolarHBondContact O-N 3.1Å; F233-E235 PolarHBondContact O-N 2.91Å; E235-V237 VanDerWaalsContact C-N 3.31Å; E235-V237 PolarHBondContact O-N 2.87Å; E235-K238 PolarHBondContact O-N 2.8Å; E235-Q239 PolarHBondContact O-N 2.79Å; E235-Q239 VanDerWaalsContact O-N 3.09Å; E235-Q239 PolarHBondContact OE2-NE2 3.22Å |
| 236 | V | 76 | Confident | 79 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.6 | -49.7 | 173.9 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | Y110 W139 F214 I216 F232 F233 K238 Q239 M240 | Y110-V236 HydrophobicContact CD1-CG1 3.63Å; Y110-V236 HydrophobicContact CE1-CG1 4.09Å; Y110-V236 HydrophobicContact CG-CG1 4.14Å; W139-V236 HydrophobicContact CH2-CG2 4.29Å; W139-V236 HydrophobicContact CZ3-CG2 3.75Å; F214-V236 HydrophobicContact CE1-CG1 4.19Å; I216-V236 HydrophobicContact CD1-CG2 4.47Å; I216-V236 HydrophobicContact CG2-CG1 3.68Å; F232-V236 HydrophobicContact CD1-CG2 3.86Å; F232-V236 HydrophobicContact CE1-CG2 3.42Å; F232-V236 VanDerWaalsContact CE1-CG2 3.42Å; F232-V236 HydrophobicContact CE2-CG2 4.42Å; F232-V236 HydrophobicContact CZ-CG2 3.71Å; F232-V236 WeakPolarHBondContact O-CG2 3.2Å; F232-V236 PolarHBondContact O-N 3.27Å; F233-V236 PolarHBondContact O-N 3.43Å; F233-V236 VanDerWaalsContact O-N 3.15Å; V236-K238 VanDerWaalsContact C-N 3.25Å; V236-K238 PolarHBondContact O-N 2.74Å; V236-Q239 PolarHBondContact O-N 2.69Å; V236-M240 HydrophobicContact CG1-CB 4.41Å; V236-M240 HydrophobicContact CG2-CE 3.89Å; V236-M240 WeakPolarHBondContact O-CB 3.37Å; V236-M240 PolarHBondContact O-N 3.31Å |
| 237 | V | 76.1 | Confident | 80.8 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -37.9 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | Y110 F233 E235 | Y110-V237 HydrophobicContact CD2-CB 4.33Å; Y110-V237 HydrophobicContact CD2-CG2 3.45Å; Y110-V237 VanDerWaalsContact CD2-CG2 3.45Å; Y110-V237 HydrophobicContact CE2-CB 3.95Å; Y110-V237 HydrophobicContact CE2-CG1 4.01Å; Y110-V237 HydrophobicContact CE2-CG2 3.57Å; Y110-V237 HydrophobicContact CG-CG2 4.2Å; F233-V237 HydrophobicContact CD1-CG2 4.17Å; F233-V237 HydrophobicContact CE1-CG2 3.99Å; F233-V237 HydrophobicContact CZ-CG2 4.24Å; F233-V237 WeakPolarHBondContact O-CG2 3.11Å; F233-V237 PolarHBondContact O-N 3.06Å; E235-V237 VanDerWaalsContact C-N 3.31Å; E235-V237 PolarHBondContact O-N 2.87Å |
| 238 | K | 76.5 | Confident | 82.4 | Confident | 133 Ų | 133 | 43 Ų | 43 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -80.5 | -34.8 | -174.8 | -74 | 165.9 | -166.8 | 167.8 | 0 | 114 | D234 E235 V236 | D234-K238 WeakPolarHBondContact O-CB 3.28Å; D234-K238 VanDerWaalsContact O-CD 3.28Å; D234-K238 WeakPolarHBondContact O-CD 3.43Å; D234-K238 WeakPolarHBondContact O-CG 3.12Å; D234-K238 PolarHBondContact O-N 2.92Å; D234-K238 VanDerWaalsContact O-N 3.1Å; E235-K238 PolarHBondContact O-N 2.8Å; V236-K238 VanDerWaalsContact C-N 3.25Å; V236-K238 PolarHBondContact O-N 2.74Å |
| 239 | Q | 83.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -134.1 | -11.3 | -157.9 | -59.4 | -171.3 | 35.2 | 0 | 0 | 116.1 | P138 W139 E235 V236 A243 | P138-Q239 HydrophobicContact CG-CB 3.94Å; W139-Q239 HydrophobicContact CZ2-CB 4.5Å; E235-Q239 PolarHBondContact O-N 2.79Å; E235-Q239 VanDerWaalsContact O-N 3.09Å; E235-Q239 PolarHBondContact OE2-NE2 3.22Å; V236-Q239 PolarHBondContact O-N 2.69Å; Q239-A243 VanDerWaalsContact O-CB 3.29Å; Q239-A243 WeakPolarHBondContact O-CB 3.15Å; Q239-A243 PolarHBondContact O-N 3.4Å |
| 240 | M | 86.6 | Confident | 85.3 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -66.9 | -168.1 | -167.8 | 64.4 | 72.2 | 0 | 0 | 111.8 | V137 W139 W197 F214 V236 S242 A243 F244 | V137-M240 HydrophobicContact CG1-SD 4.18Å; W139-M240 HydrophobicContact CH2-CE 4.39Å; W139-M240 HydrophobicContact CZ3-CE 3.84Å; W197-M240 HydrophobicContact CZ2-CG 4.34Å; F214-M240 HydrophobicContact CE1-CB 4.13Å; F214-M240 HydrophobicContact CE1-CG 3.87Å; F214-M240 HydrophobicContact CE2-CG 4.11Å; F214-M240 HydrophobicContact CZ-CB 4.29Å; F214-M240 HydrophobicContact CZ-CG 3.54Å; V236-M240 HydrophobicContact CG1-CB 4.41Å; V236-M240 HydrophobicContact CG2-CE 3.89Å; V236-M240 WeakPolarHBondContact O-CB 3.37Å; V236-M240 PolarHBondContact O-N 3.31Å; M240-S242 VanDerWaalsContact C-N 3.32Å; M240-S242 PolarHBondContact O-N 2.74Å; M240-A243 WeakPolarHBondContact O-CB 3.49Å; M240-A243 PolarHBondContact O-N 3.23Å; M240-A243 VanDerWaalsContact O-N 3.08Å; M240-F244 HydrophobicContact CG-CE2 4.39Å; M240-F244 VanDerWaalsContact O-CD2 3.32Å; M240-F244 WeakPolarHBondContact O-CD2 3.48Å; M240-F244 PolarHBondContact O-N 3.46Å; M240-F244 HydrophobicContact SD-CE2 3.92Å |
| 241 | V | 87.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | -175.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | E112 R114 W197 F214 A243 F244 E245 | E112-V241 VanDerWaalsContact OE2-CG2 3.3Å; E112-V241 WeakPolarHBondContact OE2-CG2 3.39Å; R114-V241 VanDerWaalsContact CD-CG1 3.49Å; R114-V241 HydrophobicContact CG-CG1 4.22Å; R114-V241 VanDerWaalsContact CZ-CB 3.41Å; R114-V241 VanDerWaalsContact NE-CG1 3.29Å; W197-V241 HydrophobicContact CH2-CG2 4.11Å; W197-V241 HydrophobicContact CZ3-CG1 4.44Å; W197-V241 HydrophobicContact CZ3-CG2 4.29Å; F214-V241 HydrophobicContact CB-CG2 3.88Å; F214-V241 HydrophobicContact CD1-CG2 3.93Å; F214-V241 HydrophobicContact CG-CG2 3.96Å; V241-A243 VanDerWaalsContact C-N 3.26Å; V241-A243 PolarHBondContact O-N 3.12Å; V241-F244 PolarHBondContact O-N 2.81Å; V241-E245 PolarHBondContact O-N 3.27Å |
| 242 | S | 90.7 | Very high | 87.4 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -28.3 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | R114 M240 E245 R246 | R114-S242 PolarHBondContact NH1-OG 3.21Å; M240-S242 VanDerWaalsContact C-N 3.32Å; M240-S242 PolarHBondContact O-N 2.74Å; S242-E245 WeakPolarHBondContact CA-OE2 3.32Å; S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.21Å |
| 243 | A | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -38 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F136 P138 Q239 M240 V241 R247 | F136-A243 HydrophobicContact CD2-CB 4.44Å; F136-A243 WeakPolarHBondContact CD2-O 3.36Å; P138-A243 HydrophobicContact CG-CB 4.19Å; Q239-A243 VanDerWaalsContact O-CB 3.29Å; Q239-A243 WeakPolarHBondContact O-CB 3.15Å; Q239-A243 PolarHBondContact O-N 3.4Å; M240-A243 WeakPolarHBondContact O-CB 3.49Å; M240-A243 PolarHBondContact O-N 3.23Å; M240-A243 VanDerWaalsContact O-N 3.08Å; V241-A243 VanDerWaalsContact C-N 3.26Å; V241-A243 PolarHBondContact O-N 3.12Å; A243-R247 PolarHBondContact O-N 3.14Å; A243-R247 VanDerWaalsContact O-N 3.07Å |
| 244 | F | 95 | Very high | 89.1 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 175.7 | -75.2 | -93.8 | 0 | 0 | 0 | 111.8 | I123 V126 V127 Y133 F136 V137 W197 M240 V241 R247 A248 | I123-F244 HydrophobicContact CD1-CB 4.4Å; V126-F244 HydrophobicContact CG1-CD1 3.97Å; V127-F244 HydrophobicContact CB-CD1 4.43Å; V127-F244 HydrophobicContact CB-CE1 4.36Å; V127-F244 HydrophobicContact CG2-CD1 3.54Å; V127-F244 HydrophobicContact CG2-CE1 3.89Å; V127-F244 HydrophobicContact CG2-CG 4.32Å; Y133-F244 HydrophobicContact CD1-CE1 4.44Å; Y133-F244 AromaticContact CE1-CE1 3.6Å; Y133-F244 HydrophobicContact CE1-CE1 3.6Å; Y133-F244 AromaticContact CE1-CZ 3.87Å; Y133-F244 HydrophobicContact CE1-CZ 3.87Å; Y133-F244 HydrophobicContact CE2-CZ 4.14Å; Y133-F244 AromaticContact CZ-CE1 3.68Å; Y133-F244 AromaticContact CZ-CZ 3.62Å; Y133-F244 WeakPolarHBondContact OH-CE1 3.31Å; F136-F244 AromaticContact CE2-CD1 3.63Å; F136-F244 HydrophobicContact CE2-CD1 3.63Å; F136-F244 HydrophobicContact CE2-CD2 4.18Å; F136-F244 AromaticContact CE2-CE1 3.66Å; F136-F244 HydrophobicContact CE2-CE1 3.66Å; F136-F244 HydrophobicContact CE2-CE2 4.21Å; F136-F244 AromaticContact CE2-CG 3.89Å; F136-F244 HydrophobicContact CE2-CG 3.89Å; F136-F244 AromaticContact CE2-CZ 3.96Å; F136-F244 HydrophobicContact CE2-CZ 3.96Å; F136-F244 AromaticContact CZ-CD1 3.89Å; F136-F244 HydrophobicContact CZ-CD1 3.89Å; F136-F244 AromaticContact CZ-CE1 3.63Å; F136-F244 HydrophobicContact CZ-CE1 3.63Å; F136-F244 HydrophobicContact CZ-CZ 4.15Å; V137-F244 HydrophobicContact CG2-CE1 4.43Å; V137-F244 HydrophobicContact CG2-CE2 3.94Å; V137-F244 HydrophobicContact CG2-CZ 3.67Å; W197-F244 HydrophobicContact CH2-CB 4.28Å; W197-F244 HydrophobicContact CH2-CD1 4.48Å; W197-F244 AromaticContact CH2-CD2 3.54Å; W197-F244 HydrophobicContact CH2-CD2 3.54Å; W197-F244 AromaticContact CH2-CE2 3.97Å; W197-F244 HydrophobicContact CH2-CE2 3.97Å; W197-F244 AromaticContact CH2-CG 3.84Å; W197-F244 HydrophobicContact CH2-CG 3.84Å; W197-F244 AromaticContact CZ2-CD2 3.71Å; W197-F244 HydrophobicContact CZ2-CD2 3.71Å; W197-F244 HydrophobicContact CZ2-CE1 4.5Å; W197-F244 AromaticContact CZ2-CE2 3.61Å; W197-F244 HydrophobicContact CZ2-CE2 3.61Å; W197-F244 HydrophobicContact CZ2-CG 4.22Å; W197-F244 HydrophobicContact CZ2-CZ 4.04Å; M240-F244 HydrophobicContact CG-CE2 4.39Å; M240-F244 VanDerWaalsContact O-CD2 3.32Å; M240-F244 WeakPolarHBondContact O-CD2 3.48Å; M240-F244 PolarHBondContact O-N 3.46Å; M240-F244 HydrophobicContact SD-CE2 3.92Å; V241-F244 PolarHBondContact O-N 2.81Å; F244-R247 PolarHBondContact O-N 3.47Å; F244-A248 WeakPolarHBondContact O-CB 3.1Å; F244-A248 PolarHBondContact O-N 2.92Å |
| 245 | E | 93.6 | Very high | 89.8 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 172.7 | -70.7 | 167.8 | 174.1 | 0 | 0 | 111.9 | R114 I116 V241 S242 R247 A248 S249 | R114-E245 WeakPolarHBondContact CD-OE1 3.2Å; R114-E245 IonicContact CZ-OE1 2.81Å; R114-E245 IonicContact NE-OE1 3.08Å; R114-E245 IonicContact NH1-OE1 2.77Å; R114-E245 PolarHBondContact NH1-OE1 3.34Å; R114-E245 IonicContact NH1-OE2 2.64Å; R114-E245 PolarHBondContact NH1-OE2 3.41Å; R114-E245 VanDerWaalsContact NH1-OE2 3.08Å; I116-E245 HydrophobicContact CG2-CG 4.23Å; I116-E245 WeakPolarHBondContact CG2-OE1 3.43Å; V241-E245 PolarHBondContact O-N 3.27Å; S242-E245 WeakPolarHBondContact CA-OE2 3.32Å; E245-R247 VanDerWaalsContact C-N 3.26Å; E245-R247 PolarHBondContact O-N 3.35Å; E245-A248 WeakPolarHBondContact O-CB 3.27Å; E245-A248 PolarHBondContact O-N 2.91Å; E245-S249 PolarHBondContact O-N 3.34Å |
| 246 | R | 94.8 | Very high | 90.6 | Very high | 140 Ų | 140 | 52.1 Ų | 52.1 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 175 | -74.3 | -172.4 | -60.6 | -105.4 | 2.9 | 112.1 | S242 S249 T250 | S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.21Å; R246-S249 WeakPolarHBondContact O-CB 3.27Å; R246-S249 PolarHBondContact O-N 2.95Å; R246-T250 PolarHBondContact O-N 3.16Å; R246-T250 VanDerWaalsContact O-N 3.16Å; R246-T250 PolarHBondContact O-OG1 3.02Å |
| 247 | R | 96.5 | Very high | 91.2 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.7 | -176 | 60.5 | 176.1 | 168.7 | 4.2 | 111.5 | V126 F136 A243 F244 E245 S249 T250 I251 | V126-R247 HydrophobicContact CG1-CB 3.87Å; V126-R247 HydrophobicContact CG1-CG 3.61Å; F136-R247 HydrophobicContact CB-CB 4.38Å; F136-R247 HydrophobicContact CD1-CB 4.23Å; F136-R247 HydrophobicContact CD1-CG 3.75Å; F136-R247 HydrophobicContact CD2-CB 3.61Å; F136-R247 HydrophobicContact CD2-CG 4.04Å; F136-R247 HydrophobicContact CE1-CB 4.44Å; F136-R247 HydrophobicContact CE1-CG 3.82Å; F136-R247 HydrophobicContact CE2-CB 3.85Å; F136-R247 HydrophobicContact CE2-CG 4.11Å; F136-R247 HydrophobicContact CG-CB 3.81Å; F136-R247 HydrophobicContact CG-CG 3.86Å; F136-R247 HydrophobicContact CZ-CB 4.25Å; F136-R247 HydrophobicContact CZ-CG 4Å; A243-R247 PolarHBondContact O-N 3.14Å; A243-R247 VanDerWaalsContact O-N 3.07Å; F244-R247 PolarHBondContact O-N 3.47Å; E245-R247 VanDerWaalsContact C-N 3.26Å; E245-R247 PolarHBondContact O-N 3.35Å; R247-S249 VanDerWaalsContact C-N 3.25Å; R247-S249 PolarHBondContact O-N 3.22Å; R247-T250 WeakPolarHBondContact O-CB 3.46Å; R247-T250 PolarHBondContact O-N 3.41Å; R247-T250 VanDerWaalsContact O-N 3.12Å; R247-I251 HydrophobicContact CG-CD1 4.02Å; R247-I251 WeakPolarHBondContact O-CG1 3.37Å; R247-I251 PolarHBondContact O-N 3.19Å; R247-I251 VanDerWaalsContact O-N 3.13Å |
| 248 | A | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y118 I123 V126 F244 E245 T250 I251 H252 | Y118-A248 HydrophobicContact CD1-CB 4.14Å; Y118-A248 HydrophobicContact CD2-CB 4.06Å; Y118-A248 HydrophobicContact CE1-CB 3.98Å; Y118-A248 HydrophobicContact CE2-CB 3.92Å; Y118-A248 HydrophobicContact CG-CB 4.18Å; I123-A248 HydrophobicContact CD1-CB 4.34Å; V126-A248 HydrophobicContact CG2-CB 4.02Å; F244-A248 WeakPolarHBondContact O-CB 3.1Å; F244-A248 PolarHBondContact O-N 2.92Å; E245-A248 WeakPolarHBondContact O-CB 3.27Å; E245-A248 PolarHBondContact O-N 2.91Å; A248-T250 VanDerWaalsContact C-N 3.27Å; A248-T250 PolarHBondContact O-N 2.82Å; A248-I251 PolarHBondContact O-N 3.46Å; A248-I251 VanDerWaalsContact O-N 3.11Å; A248-H252 WeakPolarHBondContact O-CB 3.36Å; A248-H252 PolarHBondContact O-N 2.64Å |
| 249 | S | 96.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 176 | -173.7 | 0 | 0 | 0 | 0 | 113.3 | Y118 E245 R246 R247 G253 | Y118-S249 WeakPolarHBondContact OH-CA 3.31Å; Y118-S249 VanDerWaalsContact OH-CB 3.27Å; Y118-S249 WeakPolarHBondContact OH-CB 3.5Å; Y118-S249 PolarHBondContact OH-N 3.48Å; E245-S249 PolarHBondContact O-N 3.34Å; R246-S249 WeakPolarHBondContact O-CB 3.27Å; R246-S249 PolarHBondContact O-N 2.95Å; R247-S249 VanDerWaalsContact C-N 3.25Å; R247-S249 PolarHBondContact O-N 3.22Å; S249-G253 VanDerWaalsContact CA-O 3.28Å; S249-G253 WeakPolarHBondContact CA-O 3.29Å; S249-G253 CarbonylContact O-C 3.5Å; S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.48Å; S249-G253 PolarHBondContact O-N 3.27Å |
| 250 | T | 96 | Very high | 91.4 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 66% | 0.656 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.4 | -32.3 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | R246 R247 A248 | R246-T250 PolarHBondContact O-N 3.16Å; R246-T250 VanDerWaalsContact O-N 3.16Å; R246-T250 PolarHBondContact O-OG1 3.02Å; R247-T250 WeakPolarHBondContact O-CB 3.46Å; R247-T250 PolarHBondContact O-N 3.41Å; R247-T250 VanDerWaalsContact O-N 3.12Å; A248-T250 VanDerWaalsContact C-N 3.27Å; A248-T250 PolarHBondContact O-N 2.82Å |
| 251 | I | 96.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -93.1 | -41.2 | -174.2 | -64.2 | 175.3 | 0 | 0 | 0 | 111.7 | V126 R247 A248 | V126-I251 HydrophobicContact CG2-CD1 4.28Å; R247-I251 HydrophobicContact CG-CD1 4.02Å; R247-I251 WeakPolarHBondContact O-CG1 3.37Å; R247-I251 PolarHBondContact O-N 3.19Å; R247-I251 VanDerWaalsContact O-N 3.13Å; A248-I251 PolarHBondContact O-N 3.46Å; A248-I251 VanDerWaalsContact O-N 3.11Å |
| 252 | H | 95.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 68.9 Ų | 68.9 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -111.9 | 0.4 | -170.6 | -59.5 | -68.3 | 0 | 0 | 0 | 113.4 | Y118 E122 R208 A248 | Y118-H252 HydrophobicContact CD1-CB 4.36Å; Y118-H252 HydrophobicContact CE1-CB 4.3Å; E122-H252 HydrophobicContact CG-CB 4.41Å; E122-H252 PolarHBondContact O-NE2 2.77Å; E122-H252 IonicContact OE1-CG 3.95Å; R208-H252 PolarHBondContact NH2-O 2.94Å; A248-H252 WeakPolarHBondContact O-CB 3.36Å; A248-H252 PolarHBondContact O-N 2.64Å |
| 253 | G | 94.8 | Very high | 89.5 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | trans | 82 | -165.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y118 S249 | Y118-G253 PolarHBondContact OH-O 3.36Å; S249-G253 VanDerWaalsContact CA-O 3.28Å; S249-G253 WeakPolarHBondContact CA-O 3.29Å; S249-G253 CarbonylContact O-C 3.5Å; S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.48Å; S249-G253 PolarHBondContact O-N 3.27Å | ||
| 254 | A | 92.5 | Very high | 88.6 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -59.4 | 144.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R208 | R208-A254 PolarHBondContact NH1-O 2.97Š|
| 255 | E | 92.4 | Very high | 87.7 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 152 | 174.7 | 66.5 | -172.7 | -177.6 | 0 | 0 | 111.5 | G117 Y118 | G117-E255 WeakPolarHBondContact O-CA 3.08Å; Y118-E255 HydrophobicContact CD2-CB 4.4Å; Y118-E255 HydrophobicContact CE1-CB 4.43Å; Y118-E255 HydrophobicContact CE2-CB 3.65Å; Y118-E255 PolarHBondContact OH-N 2.71Å |
| 256 | T | 92.3 | Very high | 86.9 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 126.9 | 170.3 | -67.1 | 0 | 0 | 0 | 0 | 109.4 | G117 Y206 T209 I258 | G117-T256 PolarHBondContact O-N 3.49Å; Y206-T256 HydrophobicContact CD1-CG2 4.31Å; T209-T256 HydrophobicContact CG2-CG2 4.43Å; T256-I258 PolarHBondContact O-N 3.43Å |
| 257 | P | 87.1 | Confident | 86.1 | Confident | 110 Ų | 110 | 79.2 Ų | 79.2 | 71% | 0.714 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 119.3 | 177.3 | 25.9 | -32.6 | 0 | 0 | 0 | 109.3 | ||
| 258 | I | 86.1 | Confident | 85.1 | Confident | 14 Ų | 14 | 82.3 Ų | 82.3 | 7% | 0.072 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 129.8 | 174.5 | -61.8 | 156.6 | 0 | 0 | 0 | 107.4 | I115 I116 L203 T209 T256 R260 L262 M263 | I115-I258 HydrophobicContact CG2-CD1 3.73Å; I116-I258 VanDerWaalsContact C-CD1 3.48Å; L203-I258 HydrophobicContact CD1-CG2 3.6Å; T209-I258 HydrophobicContact CG2-CD1 4.02Å; T209-I258 HydrophobicContact CG2-CG1 3.92Å; T256-I258 PolarHBondContact O-N 3.43Å; I258-R260 PolarHBondContact O-N 3.42Å; I258-L262 HydrophobicContact CG2-CB 4.03Å; I258-M263 HydrophobicContact CB-CE 3.81Å; I258-M263 HydrophobicContact CB-CG 4.24Å; I258-M263 HydrophobicContact CG2-CE 4.48Å; I258-M263 HydrophobicContact CG2-CG 3.87Å; I258-M263 WeakPolarHBondContact O-CE 3.45Å |
| 259 | P | 81.4 | Confident | 84 | Confident | 45 Ų | 45 | 87.7 Ų | 87.7 | 29% | 0.292 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 136.4 | 171.4 | -24.9 | 33.2 | 0 | 0 | 0 | 110.9 | E261 L262 M263 | P259-E261 VanDerWaalsContact CB-OE2 3.25Å; P259-E261 WeakPolarHBondContact CB-OE2 3.22Å; P259-E261 PolarHBondContact O-N 2.84Å; P259-E261 VanDerWaalsContact O-N 3.12Å; P259-L262 HydrophobicContact CB-CD1 4.24Å; P259-L262 HydrophobicContact CB-CG 4.32Å; P259-L262 HydrophobicContact CG-CD1 4Å; P259-L262 PolarHBondContact O-N 3.22Å; P259-M263 PolarHBondContact O-N 2.79Å |
| 260 | R | 74.1 | Confident | 82.2 | Confident | 220 Ų | 220 | 90 Ų | 90 | 83% | 0.83 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -60 | -28.4 | -175.6 | -72.3 | -173.5 | -177.4 | -172.5 | 1.7 | 112.2 | I258 L262 M263 | I258-R260 PolarHBondContact O-N 3.42Å; R260-L262 PolarHBondContact O-N 3.49Å; R260-M263 PolarHBondContact O-N 2.97Å |
| 261 | E | 75.6 | Confident | 81.5 | Confident | 170 Ų | 170 | 89.2 Ų | 89.2 | 79% | 0.794 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -66.5 | -21.4 | 177.6 | -52.3 | 84.8 | -174.1 | 0 | 0 | 112.8 | P259 | P259-E261 VanDerWaalsContact CB-OE2 3.25Å; P259-E261 WeakPolarHBondContact CB-OE2 3.22Å; P259-E261 PolarHBondContact O-N 2.84Å; P259-E261 VanDerWaalsContact O-N 3.12Å |
| 262 | L | 74.8 | Confident | 80.8 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -100.1 | -7.5 | -179.6 | -58.4 | 177.4 | 0 | 0 | 0 | 112.6 | I115 L203 Y206 I258 P259 R260 F264 | I115-L262 VanDerWaalsContact CD1-O 3.32Å; I115-L262 WeakPolarHBondContact CD1-O 3.42Å; L203-L262 HydrophobicContact CD1-CB 3.71Å; L203-L262 HydrophobicContact CD1-CD1 3.98Å; L203-L262 HydrophobicContact CD1-CG 4.45Å; L203-L262 HydrophobicContact CD2-CB 4.22Å; Y206-L262 HydrophobicContact CE2-CD1 4.41Å; I258-L262 HydrophobicContact CG2-CB 4.03Å; P259-L262 HydrophobicContact CB-CD1 4.24Å; P259-L262 HydrophobicContact CB-CG 4.32Å; P259-L262 HydrophobicContact CG-CD1 4Å; P259-L262 PolarHBondContact O-N 3.22Å; R260-L262 PolarHBondContact O-N 3.49Å; L262-F264 PolarHBondContact O-N 2.91Å |
| 263 | M | 73.9 | Confident | 79.9 | Confident | 97 Ų | 97 | 91.3 Ų | 91.3 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | trans | -78.5 | 111 | 173 | -67.8 | -174.4 | 168.3 | 0 | 0 | 108.8 | I258 P259 R260 | I258-M263 HydrophobicContact CB-CE 3.81Å; I258-M263 HydrophobicContact CB-CG 4.24Å; I258-M263 HydrophobicContact CG2-CE 4.48Å; I258-M263 HydrophobicContact CG2-CG 3.87Å; I258-M263 WeakPolarHBondContact O-CE 3.45Å; P259-M263 PolarHBondContact O-N 2.79Å; R260-M263 PolarHBondContact O-N 2.97Å | ||
| 264 | F | 74.8 | Confident | 79 | Confident | 74 Ų | 74 | 94.8 Ų | 94.8 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -106.6 | 145.3 | 163.8 | 66.7 | -99.4 | 0 | 0 | 0 | 110.2 | R113 R114 I115 T211 L262 | R113-F264 HydrophobicContact CG-CE2 3.87Å; R114-F264 WeakPolarHBondContact CA-O 3.07Å; I115-F264 HydrophobicContact CD1-CD1 3.44Å; I115-F264 VanDerWaalsContact CD1-CD1 3.44Å; I115-F264 HydrophobicContact CD1-CE1 3.11Å; I115-F264 HydrophobicContact CD1-CG 4.49Å; I115-F264 HydrophobicContact CD1-CZ 3.94Å; I115-F264 HydrophobicContact CG1-CD1 3.92Å; I115-F264 HydrophobicContact CG1-CE1 3.43Å; I115-F264 VanDerWaalsContact CG1-CE1 3.43Å; I115-F264 HydrophobicContact CG1-CE2 4.46Å; I115-F264 HydrophobicContact CG1-CZ 3.72Å; T211-F264 HydrophobicContact CG2-CE2 4.33Å; T211-F264 HydrophobicContact CG2-CZ 3.93Å; L262-F264 PolarHBondContact O-N 2.91Å | ||
| 265 | H | 75.9 | Confident | 78.2 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 107.6 | 179.5 | 172.9 | 77.4 | 0 | 0 | 0 | 107.4 | E112 R113 V267 | E112-H265 IonicContact OE1-CE1 3.03Å; E112-H265 PolarHBondContact OE1-CE1 3.02Å; E112-H265 IonicContact OE1-ND1 3.08Å; E112-H265 PolarHBondContact OE1-ND1 2.92Å; R113-H265 WeakPolarHBondContact O-CA 3.25Å; H265-V267 VanDerWaalsContact CE1-CG2 3.49Å; H265-V267 WeakPolarHBondContact CE1-CG2 3.49Å; H265-V267 WeakPolarHBondContact NE2-CG2 3.35Å |
| 266 | E | 77.2 | Confident | 77.3 | Confident | 94 Ų | 94 | 95.1 Ų | 95.1 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126 | 178.5 | -65.4 | 177 | 169.3 | 0 | 0 | 108.5 | E112 R113 | E112-E266 CarbonylContact C-O 3.56Å; E112-E266 VanDerWaalsContact CA-O 3.27Å; E112-E266 WeakPolarHBondContact CA-O 3.5Å; R113-E266 HydrophobicContact CB-CB 4.34Å; R113-E266 PolarHBondContact N-O 3.31Å; R113-E266 PolarHBondContact O-N 2.96Å |
| 267 | V | 77.5 | Confident | 76.2 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.5 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | Y110 S111 E112 H265 | Y110-V267 HydrophobicContact CD2-CG1 4.15Å; Y110-V267 HydrophobicContact CE2-CG1 3.47Å; Y110-V267 VanDerWaalsContact CE2-CG1 3.47Å; S111-V267 WeakPolarHBondContact O-CA 3.39Å; E112-V267 HydrophobicContact CG-CG2 3.85Å; H265-V267 VanDerWaalsContact CE1-CG2 3.49Å; H265-V267 WeakPolarHBondContact CE1-CG2 3.49Å; H265-V267 WeakPolarHBondContact NE2-CG2 3.35Å |
| 268 | H | 76 | Confident | 75.3 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.9 | 169.3 | -58 | -75.6 | 0 | 0 | 0 | 110.1 | Y110 S111 | Y110-H268 WeakPolarHBondContact CA-O 3.39Å; S111-H268 PolarHBondContact N-O 3.44Å; S111-H268 PolarHBondContact O-N 3.1Å; S111-H268 WeakPolarHBondContact OG-CB 3.35Å |
| 269 | H | 73.4 | Confident | 74.5 | Confident | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 145.6 | 175.8 | 69.2 | -92.8 | 0 | 0 | 0 | 112.4 | E109 Y110 F233 | E109-H269 WeakPolarHBondContact O-CA 3.46Å; E109-H269 WeakPolarHBondContact O-CB 3.39Å; Y110-H269 HydrophobicContact CD2-CB 4.26Å; F233-H269 HydrophobicContact CE2-CB 4.07Å; F233-H269 HydrophobicContact CZ-CB 3.56Å; F233-H269 AromaticContact CZ-CD2 3.7Å; F233-H269 AromaticContact CZ-CG 3.81Å |
| 270 | T | 58.8 | Low | 73.8 | Confident | 101 Ų | 101 | 111.5 Ų | 111.5 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | trans | -145 | 0 | -173.6 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | K106 E109 | K106-T270 PolarHBondContact NZ-OXT 3.04Å; E109-T270 PolarHBondContact N-O 3.38Å; E109-T270 PolarHBondContact O-N 3.14Å; E109-T270 VanDerWaalsContact O-N 3.12Å |
Retrieved 270 of 270 residues in 151.6 ms
(Link to these results)