| 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 | 35.1 | Very low | 34.9 | Very low | 231 Ų | 231 | 165.6 Ų | 165.6 | 100% | 1.138 | 82% | 0.824 | S | S | * | * | 0 | 125.3 | 0 | -75.1 | 165.3 | 77.3 | 0 | 0 | 107.4 | |||||
| 2 | I | 37.1 | Very low | 34.3 | Very low | 155 Ų | 155 | 166.5 Ų | 166.5 | 80% | 0.795 | 83% | 0.832 | S | S | * | * | trans | 67.8 | 86.5 | 173.8 | -51.1 | 161 | 0 | 0 | 0 | 113.4 | ||||
| 3 | S | 31.8 | Very low | 33.9 | Very low | 91 Ų | 91 | 161.4 Ų | 161.4 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | 66 | 96.4 | 72.1 | -169.2 | 0 | 0 | 0 | 0 | 114.5 | Q5 | S3-Q5 VanDerWaalsContact C-N 3.29Å; S3-Q5 PolarHBondContact O-N 3.02Å | |||
| 4 | Q | 33.4 | Very low | 33.8 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -72.7 | 70.9 | 174.7 | -82.3 | -166.3 | -27.8 | 0 | 0 | 112.1 | ||
| 5 | Q | 38.3 | Very low | 33.7 | Very low | 169 Ų | 169 | 159 Ų | 159 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -104 | 20.7 | 166.1 | -88.4 | -152.5 | -36 | 0 | 0 | 113.4 | S3 | S3-Q5 VanDerWaalsContact C-N 3.29Å; S3-Q5 PolarHBondContact O-N 3.02Å | ||
| 6 | Q | 41.2 | Very low | 33.6 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -112.7 | 14.1 | -168.2 | -98.6 | 168.7 | -38.9 | 0 | 0 | 117.1 | ||||
| 7 | W | 34.3 | Very low | 33.5 | Very low | 222 Ų | 222 | 157.3 Ų | 157.3 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -107.6 | 7.9 | 177.4 | -88.3 | 93.8 | 0 | 0 | 0 | 115.5 | ||
| 8 | V | 32.6 | Very low | 33.4 | Very low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -88.3 | 3.6 | -173.6 | 177.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 9 | I | 36 | Very low | 33.6 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -109.5 | -3.9 | -165.4 | -65.6 | 177.5 | 0 | 0 | 0 | 115.8 | ||
| 10 | C | 32.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 69% | 0.689 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -104.4 | 4.6 | -166.8 | -73.2 | 0 | 0 | 0 | 0 | 119.2 | ||
| 11 | F | 31.7 | Very low | 33.9 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -139.5 | 30.3 | -176 | -95.1 | -79.8 | 0 | 0 | 0 | 117.2 | ||
| 12 | L | 28.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 147 Ų | 147 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -121.7 | 89.9 | 163.8 | -77.5 | 172.6 | 0 | 0 | 0 | 110 | ||||
| 13 | A | 28.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 172.1 | 98.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 14 | A | 32.9 | Very low | 33.7 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -172 | 97.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 15 | F | 32.1 | Very low | 33.7 | Very low | 198 Ų | 198 | 150 Ų | 150 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | 61.8 | 94.5 | 110.3 | -75 | -76 | 0 | 0 | 0 | 113.1 | |||||
| 16 | A | 31.4 | Very low | 33.6 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 63% | 0.628 | 81% | 0.812 | S | S | * | * | 65.7 | 127.8 | 75.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 17 | F | 33.3 | Very low | 33 | Very low | 213 Ų | 213 | 154.5 Ų | 154.5 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | trans | 96.2 | 124.7 | 163.1 | -60.8 | -78.5 | 0 | 0 | 0 | 120.3 | ||||
| 18 | G | 30.9 | Very low | 32.9 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 144.7 | 102.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 19 | V | 38.1 | Very low | 32.7 | Very low | 142 Ų | 142 | 154 Ų | 154 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -94.9 | -178.2 | 176.8 | -141.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | P | 36.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 158.3 Ų | 158.3 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | -116.3 | 173 | -121.3 | 38.9 | -18.3 | 0 | 0 | 0 | 115 | |||||
| 21 | S | 35.9 | Very low | 32.3 | Very low | 116 Ų | 116 | 165 Ų | 165 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | -150.6 | 138.7 | 155.8 | 80.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 22 | E | 30.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -61.1 | 145.3 | 177.2 | -60.3 | -171.9 | 143.3 | 0 | 0 | 114.1 | ||||
| 23 | T | 36.8 | Very low | 32.4 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 73% | 0.73 | 83% | 0.826 | S | S | * | * | trans | -168.1 | 114.3 | 139.9 | 7.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | I | 34.2 | Very low | 32.5 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 32.2 | 111 | 136.7 | -52.6 | 172.2 | 0 | 0 | 0 | 117 | ||||
| 25 | Y | 33 | Very low | 32.2 | Very low | 229 Ų | 229 | 160 Ų | 160 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -134.4 | 127.3 | 155 | -101.2 | -84.8 | 0 | 0 | 0 | 114.6 | ||||
| 26 | K | 35.9 | Very low | 32.2 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -60.8 | 144.1 | 174.3 | -79.4 | 169.2 | 169 | 172.1 | 0 | 112.6 | ||||
| 27 | R | 27.9 | Very low | 32.1 | Very low | 249 Ų | 249 | 159.4 Ų | 159.4 | 94% | 0.94 | 83% | 0.832 | S | S | * | * | trans | -61.2 | 120.6 | 170.9 | -154.8 | 179.9 | -143 | -176 | 4.9 | 111.4 | ||||
| 28 | W | 32.4 | Very low | 31.9 | Very low | 223 Ų | 223 | 151.5 Ų | 151.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 139.4 | 161.7 | -88.7 | 64.6 | 0 | 0 | 0 | 108.8 | R30 | W28-R30 PolarHBondContact O-N 3.08Š| ||
| 29 | P | 28.6 | Very low | 32 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 120.4 | -175.8 | 32.3 | -29.9 | 0 | 0 | 0 | 109.8 | ||
| 30 | R | 31.4 | Very low | 31.5 | Very low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 122.9 | 170.3 | -72.6 | -165.1 | -139.3 | -169.6 | 6.2 | 110.7 | W28 | W28-R30 PolarHBondContact O-N 3.08Š|
| 31 | R | 29.5 | Very low | 31.1 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 137.5 | 162.4 | -64.8 | 172.5 | -162.3 | 169.7 | 4.5 | 109.5 | ||
| 32 | A | 30.6 | Very low | 30.9 | Very low | 94 Ų | 94 | 152.3 Ų | 152.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 135.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 33 | P | 30.3 | Very low | 30.9 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78 | 133.4 | 171 | 28.8 | -24.6 | 0 | 0 | 0 | 110.1 | ||
| 34 | S | 30.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 155.2 | 167.4 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||
| 35 | D | 28.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 78.7 | 84.3 | 163 | -52.1 | -42.2 | 0 | 0 | 0 | 118.4 | ||||
| 36 | V | 30.5 | Very low | 31 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -136.5 | 100.8 | 145.2 | -175 | 0 | 0 | 0 | 0 | 108.9 | A38 | V36-A38 PolarHBondContact O-N 3.12Š| ||
| 37 | S | 29.6 | Very low | 30.9 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -77.8 | 102.8 | 172.9 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | A | 29.4 | Very low | 31.2 | Very low | 47 Ų | 47 | 130.8 Ų | 130.8 | 39% | 0.388 | 69% | 0.694 | S | S | . | * | trans | -92.4 | 123.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V36 L40 F41 | V36-A38 PolarHBondContact O-N 3.12Å; A38-L40 PolarHBondContact O-N 3.14Å; A38-L40 VanDerWaalsContact O-N 3.16Å; A38-F41 HydrophobicContact CB-CD2 4.34Å; A38-F41 PolarHBondContact O-N 3.3Å | ||
| 39 | P | 33.7 | Very low | 31.4 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 69% | 0.688 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.5 | -23.9 | -172.4 | 21.8 | -31.6 | 0 | 0 | 0 | 114.3 | F41 A42 S43 | P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.96Å; P39-A42 PolarHBondContact O-N 2.67Å; P39-S43 PolarHBondContact O-N 3.45Å; P39-S43 PolarHBondContact O-OG 3.38Å |
| 40 | L | 27.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 120.2 Ų | 120.2 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.8 | -32 | 176.9 | -95.2 | 153.3 | 0 | 0 | 0 | 113.7 | A38 F44 | A38-L40 PolarHBondContact O-N 3.14Å; A38-L40 VanDerWaalsContact O-N 3.16Å; L40-F44 PolarHBondContact O-N 2.84Å |
| 41 | F | 27.9 | Very low | 32 | Very low | 166 Ų | 166 | 114.3 Ų | 114.3 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.8 | -27.6 | 177.8 | -83 | -83.8 | 0 | 0 | 0 | 112.5 | A38 P39 K45 | A38-F41 HydrophobicContact CB-CD2 4.34Å; A38-F41 PolarHBondContact O-N 3.3Å; P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.96Å; F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.21Å; F41-K45 PolarHBondContact O-N 3.09Å |
| 42 | A | 30.9 | Very low | 32.2 | Very low | 57 Ų | 57 | 106.1 Ų | 106.1 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.4 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P39 F44 K45 E46 | P39-A42 PolarHBondContact O-N 2.67Å; A42-F44 PolarHBondContact O-N 3.15Å; A42-K45 PolarHBondContact O-N 3.34Å; A42-E46 PolarHBondContact O-N 3.15Å |
| 43 | S | 31.3 | Very low | 32.5 | Very low | 60 Ų | 60 | 108.6 Ų | 108.6 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.1 | -39 | 178.9 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | P39 E46 L47 | P39-S43 PolarHBondContact O-N 3.45Å; P39-S43 PolarHBondContact O-OG 3.38Å; S43-E46 PolarHBondContact O-N 2.96Å; S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 3.31Å |
| 44 | F | 31.4 | Very low | 33 | Very low | 128 Ų | 128 | 105.8 Ų | 105.8 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 176.8 | -161.8 | -96.7 | 0 | 0 | 0 | 111.7 | L40 A42 L47 T48 | L40-F44 PolarHBondContact O-N 2.84Å; A42-F44 PolarHBondContact O-N 3.15Å; F44-L47 PolarHBondContact O-N 2.84Å; F44-T48 HydrophobicContact CD1-CG2 4.08Å; F44-T48 HydrophobicContact CE1-CG2 3.77Å; F44-T48 HydrophobicContact CZ-CG2 4.03Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 WeakPolarHBondContact O-CG2 3.47Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.4Å |
| 45 | K | 33.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.3 | -38.5 | 176 | -160.6 | 176.1 | -175 | -176.7 | 0 | 111.5 | F41 A42 A49 | F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.21Å; F41-K45 PolarHBondContact O-N 3.09Å; A42-K45 PolarHBondContact O-N 3.34Å; K45-A49 WeakPolarHBondContact O-CB 2.88Å; K45-A49 PolarHBondContact O-N 3.21Å |
| 46 | E | 40.2 | Very low | 33.8 | Very low | 152 Ų | 152 | 98.8 Ų | 98.8 | 71% | 0.71 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 173.4 | -78.5 | -177.9 | 163.4 | 0 | 0 | 113.2 | A42 S43 P50 | A42-E46 PolarHBondContact O-N 3.15Å; S43-E46 PolarHBondContact O-N 2.96Å; E46-P50 WeakPolarHBondContact O-CD 3.34Å |
| 47 | L | 33 | Very low | 34.1 | Very low | 125 Ų | 125 | 94.4 Ų | 94.4 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.7 | -35 | 178.8 | -89.2 | 154.3 | 0 | 0 | 0 | 113.5 | S43 F44 | S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 3.31Å; F44-L47 PolarHBondContact O-N 2.84Å |
| 48 | T | 34.8 | Very low | 34.8 | Very low | 35 Ų | 35 | 91.6 Ų | 91.6 | 22% | 0.215 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -97.7 | -25.2 | -172.8 | 56.7 | 0 | 0 | 0 | 0 | 114 | F44 P50 L51 L52 | F44-T48 HydrophobicContact CD1-CG2 4.08Å; F44-T48 HydrophobicContact CE1-CG2 3.77Å; F44-T48 HydrophobicContact CZ-CG2 4.03Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 WeakPolarHBondContact O-CG2 3.47Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.4Å; T48-P50 VanDerWaalsContact C-CD 3.47Å; T48-L51 WeakPolarHBondContact O-CB 3.4Å; T48-L51 PolarHBondContact O-N 2.98Å; T48-L51 VanDerWaalsContact O-N 3.17Å; T48-L52 PolarHBondContact O-N 3.27Å |
| 49 | A | 36.2 | Very low | 35.2 | Very low | 45 Ų | 45 | 93.4 Ų | 93.4 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K45 L51 L52 H53 | K45-A49 WeakPolarHBondContact O-CB 2.88Å; K45-A49 PolarHBondContact O-N 3.21Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.82Å; A49-L52 PolarHBondContact O-N 3.13Å; A49-H53 WeakPolarHBondContact O-CB 3.44Å; A49-H53 PolarHBondContact O-N 3.06Å |
| 50 | P | 37.6 | Very low | 35.5 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 51% | 0.506 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 178.4 | -12.5 | 24.7 | 0 | 0 | 0 | 112.5 | E46 T48 S54 | E46-P50 WeakPolarHBondContact O-CD 3.34Å; T48-P50 VanDerWaalsContact C-CD 3.47Å; P50-S54 VanDerWaalsContact O-CB 3.28Å; P50-S54 WeakPolarHBondContact O-CB 3.31Å; P50-S54 PolarHBondContact O-N 3.5Å |
| 51 | L | 34.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 93.1 Ų | 93.1 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -44.4 | 178.5 | -76.4 | 163.4 | 0 | 0 | 0 | 111.5 | T48 A49 S54 A55 | T48-L51 WeakPolarHBondContact O-CB 3.4Å; T48-L51 PolarHBondContact O-N 2.98Å; T48-L51 VanDerWaalsContact O-N 3.17Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.82Å; L51-S54 PolarHBondContact O-N 3.13Å; L51-A55 WeakPolarHBondContact O-CB 2.97Å; L51-A55 PolarHBondContact O-N 3.25Å |
| 52 | L | 34.7 | Very low | 36.7 | Very low | 71 Ų | 71 | 92.3 Ų | 92.3 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 174.9 | -91.1 | 140.9 | 0 | 0 | 0 | 112 | T48 A49 A56 L159 | T48-L52 PolarHBondContact O-N 3.27Å; A49-L52 PolarHBondContact O-N 3.13Å; L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 2.8Å; L52-L159 HydrophobicContact CD2-CD2 3.73Å |
| 53 | H | 35.7 | Very low | 37 | Very low | 146 Ų | 146 | 93.6 Ų | 93.6 | 68% | 0.676 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 175.9 | -118.3 | -76.3 | 0 | 0 | 0 | 112.2 | A49 S57 | A49-H53 WeakPolarHBondContact O-CB 3.44Å; A49-H53 PolarHBondContact O-N 3.06Å; H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.8Å; H53-S57 PolarHBondContact O-OG 2.99Å |
| 54 | S | 41.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 93.6 Ų | 93.6 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | P50 L51 S57 T58 | P50-S54 VanDerWaalsContact O-CB 3.28Å; P50-S54 WeakPolarHBondContact O-CB 3.31Å; P50-S54 PolarHBondContact O-N 3.5Å; L51-S54 PolarHBondContact O-N 3.13Å; S54-S57 WeakPolarHBondContact CA-OG 3.46Å; S54-S57 PolarHBondContact O-OG 3.47Å; S54-S57 VanDerWaalsContact O-OG 3.08Å; S54-T58 VanDerWaalsContact O-CB 3.29Å; S54-T58 WeakPolarHBondContact O-CB 3.47Å; S54-T58 PolarHBondContact O-N 3.49Å; S54-T58 PolarHBondContact O-OG1 3.09Å |
| 55 | A | 37.8 | Very low | 37.5 | Very low | 60 Ų | 60 | 94.5 Ų | 94.5 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L51 T58 L59 | L51-A55 WeakPolarHBondContact O-CB 2.97Å; L51-A55 PolarHBondContact O-N 3.25Å; A55-T58 PolarHBondContact O-N 2.75Å; A55-L59 VanDerWaalsContact O-CB 3.32Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 2.87Å |
| 56 | A | 36.3 | Very low | 37.6 | Very low | 40 Ų | 40 | 89.6 Ų | 89.6 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L52 T58 L59 F60 | L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 2.8Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 3.21Å; A56-L59 VanDerWaalsContact O-N 3.14Å; A56-F60 HydrophobicContact CB-CD2 4.31Å; A56-F60 HydrophobicContact CB-CE2 4.23Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 PolarHBondContact O-N 3.03Å |
| 57 | S | 38.5 | Very low | 37.2 | Very low | 50 Ų | 50 | 91.7 Ų | 91.7 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | H53 S54 L59 N61 | H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.8Å; H53-S57 PolarHBondContact O-OG 2.99Å; S54-S57 WeakPolarHBondContact CA-OG 3.46Å; S54-S57 PolarHBondContact O-OG 3.47Å; S54-S57 VanDerWaalsContact O-OG 3.08Å; S57-L59 VanDerWaalsContact C-N 3.32Å; S57-N61 WeakPolarHBondContact O-CB 3.19Å; S57-N61 PolarHBondContact O-N 2.96Å; S57-N61 PolarHBondContact O-ND2 2.83Å |
| 58 | T | 42.5 | Very low | 37.4 | Very low | 62 Ų | 62 | 91.4 Ų | 91.4 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 174 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | S54 A55 A56 R62 | S54-T58 VanDerWaalsContact O-CB 3.29Å; S54-T58 WeakPolarHBondContact O-CB 3.47Å; S54-T58 PolarHBondContact O-N 3.49Å; S54-T58 PolarHBondContact O-OG1 3.09Å; A55-T58 PolarHBondContact O-N 2.75Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.89Å; T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.49Å; T58-R62 VanDerWaalsContact O-N 3.09Å |
| 59 | L | 38.3 | Very low | 37.2 | Very low | 84 Ų | 84 | 96.1 Ų | 96.1 | 44% | 0.44 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.6 | -42.6 | 178.4 | -150.5 | 138.7 | 0 | 0 | 0 | 111.4 | A55 A56 S57 R62 L63 | A55-L59 VanDerWaalsContact O-CB 3.32Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 2.87Å; A56-L59 PolarHBondContact O-N 3.21Å; A56-L59 VanDerWaalsContact O-N 3.14Å; S57-L59 VanDerWaalsContact C-N 3.32Å; L59-R62 PolarHBondContact O-N 2.88Å; L59-L63 HydrophobicContact CD2-CD1 3.83Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.82Å |
| 60 | F | 40.3 | Very low | 37.1 | Very low | 142 Ų | 142 | 98.3 Ų | 98.3 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -42.5 | 174.7 | -75.6 | -63.5 | 0 | 0 | 0 | 113 | A56 R62 L63 G64 | A56-F60 HydrophobicContact CB-CD2 4.31Å; A56-F60 HydrophobicContact CB-CE2 4.23Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 PolarHBondContact O-N 3.03Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.25Å; F60-L63 PolarHBondContact O-N 3.01Å; F60-G64 PolarHBondContact O-N 3.46Å |
| 61 | N | 45.1 | Very low | 36.9 | Very low | 105 Ų | 105 | 100.8 Ų | 100.8 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.8 | -34.4 | 176.3 | -74.1 | -21.6 | 0 | 0 | 0 | 112.2 | S57 L63 G64 N65 | S57-N61 WeakPolarHBondContact O-CB 3.19Å; S57-N61 PolarHBondContact O-N 2.96Å; S57-N61 PolarHBondContact O-ND2 2.83Å; N61-L63 VanDerWaalsContact C-N 3.34Å; N61-G64 PolarHBondContact O-N 3.44Å; N61-N65 PolarHBondContact O-N 3.36Å |
| 62 | R | 36.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 102.8 Ų | 102.8 | 57% | 0.566 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.9 | -28.9 | 173.8 | -77.8 | 177.5 | 179.1 | -161.7 | -0.9 | 113.1 | T58 L59 F60 | T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.49Å; T58-R62 VanDerWaalsContact O-N 3.09Å; L59-R62 PolarHBondContact O-N 2.88Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.25Å |
| 63 | L | 35.8 | Very low | 36.5 | Very low | 84 Ų | 84 | 106 Ų | 106 | 44% | 0.44 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77.8 | -32.3 | 174.1 | -72.9 | 165.3 | 0 | 0 | 0 | 112.2 | L59 F60 N61 L190 | L59-L63 HydrophobicContact CD2-CD1 3.83Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.82Å; F60-L63 PolarHBondContact O-N 3.01Å; N61-L63 VanDerWaalsContact C-N 3.34Å; L63-L190 HydrophobicContact CD2-CD1 4.43Å |
| 64 | G | 35.9 | Very low | 36.1 | Very low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.9 | -23.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117 | F60 N61 | F60-G64 PolarHBondContact O-N 3.46Å; N61-G64 PolarHBondContact O-N 3.44Å |
| 65 | N | 38.6 | Very low | 35.4 | Very low | 146 Ų | 146 | 110.4 Ų | 110.4 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | trans | -96.5 | 18 | -170.6 | -82.4 | -4.8 | 0 | 0 | 0 | 116 | N61 Q67 | N61-N65 PolarHBondContact O-N 3.36Å; N65-Q67 PolarHBondContact O-N 3.12Å | ||
| 66 | S | 35.9 | Very low | 34.9 | Very low | 56 Ų | 56 | 111.2 Ų | 111.2 | 39% | 0.392 | 64% | 0.636 | S | S | . | * | trans | -98.7 | 82 | 178 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | D68 R193 | S66-D68 PolarHBondContact O-N 2.98Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-R193 PolarHBondContact OG-NH2 3.41Å | ||
| 67 | Q | 32.3 | Very low | 34.6 | Very low | 197 Ų | 197 | 114.3 Ų | 114.3 | 92% | 0.921 | 66% | 0.662 | S | S | * | * | trans | -71.1 | 93.7 | 163 | -86.5 | 177.2 | -42.4 | 0 | 0 | 109.5 | N65 | N65-Q67 PolarHBondContact O-N 3.12Š| ||
| 68 | D | 36 | Very low | 34.1 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | trans | -101 | 125.4 | 152.2 | -101 | -36.6 | 0 | 0 | 0 | 107.3 | S66 S70 | S66-D68 PolarHBondContact O-N 2.98Å; S66-D68 VanDerWaalsContact O-N 3.11Å; D68-S70 PolarHBondContact O-N 3.4Å | ||
| 69 | P | 30 | Very low | 33.4 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 32.4 | -168.4 | 30.9 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 70 | S | 34 | Very low | 33 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 1 | -175.4 | 60.7 | 0 | 0 | 0 | 0 | 117.1 | D68 | D68-S70 PolarHBondContact O-N 3.4Š|
| 71 | N | 34.7 | Very low | 32.3 | Very low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -147 | 91.6 | 176.3 | -76.8 | -52.8 | 0 | 0 | 0 | 112.9 | I73 | N71-I73 PolarHBondContact O-N 3.02Š| ||
| 72 | N | 26.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -74.8 | 101.6 | 171.2 | -77.5 | -19.4 | 0 | 0 | 0 | 110.5 | ||||
| 73 | I | 33.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -123.8 | -10.3 | 171.8 | -62.3 | -179 | 0 | 0 | 0 | 112.9 | N71 | N71-I73 PolarHBondContact O-N 3.02Š| ||
| 74 | F | 29 | Very low | 30.7 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 75.7 | 177.2 | -86.3 | -87.6 | 0 | 0 | 0 | 111.9 | ||||
| 75 | A | 26.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -103.4 | 100.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 76 | G | 26.2 | Very low | 30.6 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 161.7 | 67 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 77 | A | 30.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -169.3 | 110.8 | 151 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 78 | T | 28.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -86.1 | 139.6 | -173.2 | -12.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 79 | S | 27.6 | Very low | 30.9 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 41.5 | 122.6 | 146.5 | 67.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 80 | L | 30.2 | Very low | 31.1 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 97% | 0.974 | 78% | 0.779 | S | S | * | * | trans | -157.9 | 128.3 | 134.2 | -104.3 | 145.2 | 0 | 0 | 0 | 109.7 | ||||
| 81 | G | 25.9 | Very low | 31.2 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -92.8 | 170 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 82 | G | 25.1 | Very low | 31.2 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | 40.7 | 103 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 83 | Q | 29.8 | Very low | 31.5 | Very low | 205 Ų | 205 | 121.2 Ų | 121.2 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | -154.8 | 143.2 | 147.1 | -110.7 | 169.7 | 10.2 | 0 | 0 | 112.4 | ||||
| 84 | K | 29.1 | Very low | 31.6 | Very low | 195 Ų | 195 | 119.9 Ų | 119.9 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 151 | -174.5 | -160.9 | 172 | -177.5 | 179.8 | 0 | 114.1 | ||
| 85 | P | 34.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.7 | -175.8 | 25.9 | -34.7 | 0 | 0 | 0 | 111.9 | ||
| 86 | P | 36.6 | Very low | 32.2 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.5 | -177.3 | 31.7 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 87 | V | 35.9 | Very low | 32.6 | Very low | 127 Ų | 127 | 123 Ų | 123 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.9 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | P89 | V87-P89 WeakPolarHBondContact O-CD 3.43Š|
| 88 | D | 38.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 121 Ų | 121 | 50% | 0.497 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 122.1 | -174.9 | 77.4 | -34.9 | 0 | 0 | 0 | 112.2 | F90 S91 | D88-F90 PolarHBondContact O-N 2.03Å; D88-F90 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 3.03Å; D88-S91 VanDerWaalsContact O-OG 3.1Å; D88-S91 VanDerWaalsContact OD1-CB 3.3Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.89Å |
| 89 | P | 35.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 0.9 | 179 | 28.4 | -32.8 | 0 | 0 | 0 | 113.2 | V87 | V87-P89 WeakPolarHBondContact O-CD 3.43Š|
| 90 | F | 34.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -20.3 | -176.3 | -83.4 | -87.2 | 0 | 0 | 0 | 114 | D88 S92 L93 I94 | D88-F90 PolarHBondContact O-N 2.03Å; D88-F90 VanDerWaalsContact O-N 3.1Å; F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.09Å; F90-L93 PolarHBondContact O-N 3.35Å; F90-I94 PolarHBondContact O-N 3.11Å |
| 91 | S | 36.6 | Very low | 32.8 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -66.1 | -34.8 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | D88 | D88-S91 PolarHBondContact O-OG 3.03Å; D88-S91 VanDerWaalsContact O-OG 3.1Å; D88-S91 VanDerWaalsContact OD1-CB 3.3Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.89Å |
| 92 | S | 35.9 | Very low | 32.7 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.9 | -22.2 | 178.5 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | F90 | F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.09Å |
| 93 | L | 32.9 | Very low | 32.9 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -79.3 | -36.9 | 178.2 | -159.5 | 83.2 | 0 | 0 | 0 | 111.4 | F90 R96 I97 | F90-L93 PolarHBondContact O-N 3.35Å; L93-R96 PolarHBondContact O-N 3.37Å; L93-I97 HydrophobicContact CD2-CD1 4.28Å; L93-I97 HydrophobicContact CG-CD1 4.13Å; L93-I97 WeakPolarHBondContact O-CG1 3.24Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.14Å |
| 94 | I | 34.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 57% | 0.569 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.9 | -35.9 | 177.8 | -67.2 | -159.9 | 0 | 0 | 0 | 111.7 | F90 R96 I97 G98 | F90-I94 PolarHBondContact O-N 3.11Å; I94-R96 VanDerWaalsContact C-N 3.25Å; I94-R96 PolarHBondContact O-N 2.8Å; I94-I97 PolarHBondContact O-N 2.79Å; I94-G98 PolarHBondContact O-N 2.69Å |
| 95 | D | 33.7 | Very low | 32.7 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 52% | 0.519 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -71.2 | -22 | 176.5 | -150.3 | 21.2 | 0 | 0 | 0 | 112.3 | K99 | D95-K99 IonicContact OD1-NZ 2.76Å; D95-K99 PolarHBondContact OD1-NZ 2.88Å; D95-K99 IonicContact OD2-NZ 2.73Å |
| 96 | R | 33.8 | Very low | 32.5 | Very low | 219 Ų | 219 | 114.9 Ų | 114.9 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -82.1 | -29.1 | 172.7 | -87.4 | -175.4 | 173.1 | -170.1 | -1.3 | 114.2 | L93 I94 | L93-R96 PolarHBondContact O-N 3.37Å; I94-R96 VanDerWaalsContact C-N 3.25Å; I94-R96 PolarHBondContact O-N 2.8Å |
| 97 | I | 35.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 68% | 0.677 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -90.6 | -28.6 | -179.6 | -63.6 | 168.7 | 0 | 0 | 0 | 111.1 | L93 I94 | L93-I97 HydrophobicContact CD2-CD1 4.28Å; L93-I97 HydrophobicContact CG-CD1 4.13Å; L93-I97 WeakPolarHBondContact O-CG1 3.24Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.14Å; I94-I97 PolarHBondContact O-N 2.79Å |
| 98 | G | 30.2 | Very low | 31.9 | Very low | 65 Ų | 65 | 118 Ų | 118 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -80.1 | -9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I94 | I94-G98 PolarHBondContact O-N 2.69Š|
| 99 | K | 31.7 | Very low | 31.5 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -124.3 | 83.3 | -177.9 | -73.9 | 176 | -177.1 | 145.1 | 0 | 111 | D95 | D95-K99 IonicContact OD1-NZ 2.76Å; D95-K99 PolarHBondContact OD1-NZ 2.88Å; D95-K99 IonicContact OD2-NZ 2.73Å |
| 100 | G | 29 | Very low | 31.3 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 70% | 0.696 | S | S | * | * | trans | 168 | 99.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 101 | G | 28.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | 97 | 92.6 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 102 | S | 24.7 | Very low | 31 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -52.8 | 127.8 | 158.6 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 103 | Y | 29.1 | Very low | 30.7 | Very low | 224 Ų | 224 | 119.5 Ų | 119.5 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | trans | -145.9 | 144.3 | 164 | -85.9 | -76.6 | 0 | 0 | 0 | 114 | ||||
| 104 | S | 27.2 | Very low | 30.6 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | -71.2 | 164.4 | -165.5 | -95.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 105 | P | 27.1 | Very low | 30.4 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.5 | 126.3 | -172 | 30.7 | -33 | 0 | 0 | 0 | 111.8 | ||
| 106 | G | 31.4 | Very low | 30.5 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 155 | -2.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 107 | Q | 29.9 | Very low | 30.5 | Very low | 185 Ų | 185 | 113.1 Ų | 113.1 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -104.2 | 112.6 | 179.1 | -80 | 178.8 | -11.3 | 0 | 0 | 111.9 | S109 | Q107-S109 PolarHBondContact O-N 2.83Š| ||
| 108 | T | 29.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -53.2 | 127.9 | 166.9 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 109 | S | 29.2 | Very low | 30.6 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 43% | 0.427 | 71% | 0.708 | S | S | . | * | trans | -67.3 | 137.8 | -174.5 | 83.7 | 0 | 0 | 0 | 0 | 111 | Q107 F111 D112 | Q107-S109 PolarHBondContact O-N 2.83Å; S109-F111 PolarHBondContact O-N 3.23Å; S109-D112 PolarHBondContact O-N 3.01Å; S109-D112 VanDerWaalsContact O-N 3.17Å; S109-D112 PolarHBondContact OG-OD2 3.47Å | ||
| 110 | L | 30.8 | Very low | 30.6 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -6 | 178.4 | -159.8 | 112 | 0 | 0 | 0 | 113.5 | ||
| 111 | F | 31.3 | Very low | 31 | Very low | 151 Ų | 151 | 116.9 Ų | 116.9 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -13.6 | -178.3 | -70.5 | -77.8 | 0 | 0 | 0 | 114.2 | S109 G113 L114 | S109-F111 PolarHBondContact O-N 3.23Å; F111-G113 VanDerWaalsContact C-N 3.26Å; F111-G113 PolarHBondContact O-N 3.33Å; F111-L114 HydrophobicContact CD1-CD1 4.04Å; F111-L114 HydrophobicContact CE1-CD1 4.44Å; F111-L114 PolarHBondContact O-N 3.09Å |
| 112 | D | 33.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 118 Ų | 118 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -19.1 | 178.7 | -70.3 | -49.8 | 0 | 0 | 0 | 112.9 | S109 | S109-D112 PolarHBondContact O-N 3.01Å; S109-D112 VanDerWaalsContact O-N 3.17Å; S109-D112 PolarHBondContact OG-OD2 3.47Å |
| 113 | G | 30.6 | Very low | 31.6 | Very low | 37 Ų | 37 | 116.1 Ų | 116.1 | 38% | 0.381 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -15.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F111 | F111-G113 VanDerWaalsContact C-N 3.26Å; F111-G113 PolarHBondContact O-N 3.33Å |
| 114 | L | 30.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 111.5 Ų | 111.5 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -84.7 | -15.5 | -174.2 | -81 | 161.9 | 0 | 0 | 0 | 113.6 | F111 | F111-L114 HydrophobicContact CD1-CD1 4.04Å; F111-L114 HydrophobicContact CE1-CD1 4.44Å; F111-L114 PolarHBondContact O-N 3.09Å |
| 115 | T | 31 | Very low | 32 | Very low | 106 Ų | 106 | 113 Ų | 113 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.9 | -7.9 | -175.5 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 116 | S | 35.6 | Very low | 32.1 | Very low | 64 Ų | 64 | 112.2 Ų | 112.2 | 45% | 0.448 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -105.7 | -4.8 | -173.5 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | K118 | S116-K118 PolarHBondContact O-N 2.86Š|
| 117 | G | 33.5 | Very low | 32.1 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 81% | 0.814 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 59.1 | 11.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 118 | K | 33.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 110.8 Ų | 110.8 | 74% | 0.739 | 69% | 0.685 | S | S | * | * | trans | -115.5 | 78.2 | -175.5 | -75.1 | -179.8 | 178.4 | -178.7 | 0 | 109.1 | S116 P120 | S116-K118 PolarHBondContact O-N 2.86Å; K118-P120 WeakPolarHBondContact O-CD 3.36Å | ||
| 119 | L | 35.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 108 Ų | 108 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | trans | -81 | 117.5 | 163.6 | -81.8 | 160.9 | 0 | 0 | 0 | 108.3 | G121 V122 | L119-G121 PolarHBondContact O-N 2.81Å; L119-V122 HydrophobicContact CB-CB 4.45Å; L119-V122 HydrophobicContact CB-CG2 4.19Å | ||
| 120 | P | 30.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 127.9 | 174.6 | -13.6 | 27.3 | 0 | 0 | 0 | 109.3 | K118 | K118-P120 WeakPolarHBondContact O-CD 3.36Š|
| 121 | G | 37.7 | Very low | 32.4 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 91% | 0.907 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.1 | 5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L119 | L119-G121 PolarHBondContact O-N 2.81Š|
| 122 | V | 31.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 56% | 0.564 | 68% | 0.675 | S | S | * | * | trans | -117.3 | 121.3 | 173.8 | -171.8 | 0 | 0 | 0 | 0 | 109 | L119 | L119-V122 HydrophobicContact CB-CB 4.45Å; L119-V122 HydrophobicContact CB-CG2 4.19Å | ||
| 123 | A | 32.9 | Very low | 32.9 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I125 | A123-I125 PolarHBondContact O-N 2.76Š|
| 124 | P | 33.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118.6 | 177.4 | -18.1 | 29.2 | 0 | 0 | 0 | 109.6 | P126 | P124-P126 WeakPolarHBondContact O-CD 3.28Š|
| 125 | I | 31.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.2 | 172 | -59.4 | 172.7 | 0 | 0 | 0 | 106.4 | A123 V127 | A123-I125 PolarHBondContact O-N 2.76Å; I125-V127 PolarHBondContact O-N 2.94Å; I125-V127 VanDerWaalsContact O-N 3.09Å |
| 126 | P | 28.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | -64.8 | 114.5 | 174.2 | -5 | 18.1 | 0 | 0 | 0 | 107.6 | P124 P128 | P124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-P128 WeakPolarHBondContact O-CD 3.43Å | ||
| 127 | V | 33.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 114.7 Ų | 114.7 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 118.9 | 171.4 | -156 | 0 | 0 | 0 | 0 | 106.6 | I125 G129 | I125-V127 PolarHBondContact O-N 2.94Å; I125-V127 VanDerWaalsContact O-N 3.09Å; V127-G129 PolarHBondContact O-N 2.89Å |
| 128 | P | 31.6 | Very low | 34.6 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58 | 129.3 | 172.7 | -20.9 | 33 | 0 | 0 | 0 | 109.1 | P126 F130 | P126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-F130 PolarHBondContact O-N 2.74Å; P128-F130 VanDerWaalsContact O-N 3.13Å |
| 129 | G | 30.9 | Very low | 34.9 | Very low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V127 | V127-G129 PolarHBondContact O-N 2.89Š|
| 130 | F | 30.8 | Very low | 34.7 | Very low | 186 Ų | 186 | 113.3 Ų | 113.3 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.9 | 173.1 | -95.5 | -92.2 | 0 | 0 | 0 | 108.8 | P128 G132 | P128-F130 PolarHBondContact O-N 2.74Å; P128-F130 VanDerWaalsContact O-N 3.13Å; F130-G132 PolarHBondContact O-N 3.43Å |
| 131 | P | 32.1 | Very low | 35 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 58% | 0.578 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.5 | 175.7 | 18.2 | -26.9 | 0 | 0 | 0 | 109.6 | D135 | P131-D135 WeakPolarHBondContact CA-OD2 3Å; P131-D135 HydrophobicContact CB-CB 3.6Å; P131-D135 WeakPolarHBondContact CB-OD2 3.45Å |
| 132 | G | 32.6 | Very low | 35.2 | Very low | 32 Ų | 32 | 109.6 Ų | 109.6 | 33% | 0.33 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F130 Q134 D135 | F130-G132 PolarHBondContact O-N 3.43Å; G132-Q134 PolarHBondContact O-N 2.86Å; G132-D135 PolarHBondContact N-OD2 2.94Å; G132-D135 VanDerWaalsContact N-OD2 3.13Å; G132-D135 PolarHBondContact O-N 3.24Å |
| 133 | P | 43.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 81% | 0.805 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -7.3 | 176.8 | -22.5 | 32.1 | 0 | 0 | 0 | 114.9 | ||
| 134 | Q | 40.2 | Very low | 35.7 | Very low | 186 Ų | 186 | 111.7 Ų | 111.7 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -11.2 | -179.9 | -51.2 | -163.1 | 16.2 | 0 | 0 | 113.4 | G132 | G132-Q134 PolarHBondContact O-N 2.86Š|
| 135 | D | 40.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 110 Ų | 110 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -100.2 | 7.5 | -173.6 | -62.4 | -41.6 | 0 | 0 | 0 | 113.8 | P131 G132 | P131-D135 WeakPolarHBondContact CA-OD2 3Å; P131-D135 HydrophobicContact CB-CB 3.6Å; P131-D135 WeakPolarHBondContact CB-OD2 3.45Å; G132-D135 PolarHBondContact N-OD2 2.94Å; G132-D135 VanDerWaalsContact N-OD2 3.13Å; G132-D135 PolarHBondContact O-N 3.24Å |
| 136 | I | 38.2 | Very low | 36.1 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -98 | 116.1 | 180 | -53.6 | 172.4 | 0 | 0 | 0 | 109.1 | S138 | I136-S138 PolarHBondContact O-N 2.77Å; I136-S138 VanDerWaalsContact O-N 3.16Å |
| 137 | P | 37.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 104.5 Ų | 104.5 | 71% | 0.708 | 65% | 0.646 | S | S | * | * | trans | -62 | 120.6 | 178 | 12.4 | -15 | 0 | 0 | 0 | 110.6 | I139 | P137-I139 PolarHBondContact O-N 3.31Š| ||
| 138 | S | 40.7 | Very low | 36.6 | Very low | 104 Ų | 104 | 102.2 Ų | 102.2 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -69.5 | 108.1 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | I136 | I136-S138 PolarHBondContact O-N 2.77Å; I136-S138 VanDerWaalsContact O-N 3.16Å | ||
| 139 | I | 39.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 102.7 Ų | 102.7 | 56% | 0.564 | 63% | 0.626 | S | S | * | * | trans | -86.5 | 120.4 | 172.2 | -57.5 | 171.4 | 0 | 0 | 0 | 108.4 | P137 G141 V142 | P137-I139 PolarHBondContact O-N 3.31Å; I139-G141 PolarHBondContact O-N 3.13Å; I139-V142 HydrophobicContact CG2-CG2 4.37Å | ||
| 140 | P | 31.1 | Very low | 37.7 | Very low | 126 Ų | 126 | 100 Ų | 100 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 123.6 | 178 | -17.1 | 29.5 | 0 | 0 | 0 | 110.7 | ||
| 141 | G | 38.2 | Very low | 38.2 | Very low | 68 Ų | 68 | 95.3 Ų | 95.3 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.1 | 2.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | I139 | I139-G141 PolarHBondContact O-N 3.13Š|
| 142 | V | 41 | Very low | 38.6 | Very low | 73 Ų | 73 | 92.9 Ų | 92.9 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120 | -18.2 | 178.4 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | I139 T144 | I139-V142 HydrophobicContact CG2-CG2 4.37Å; V142-T144 PolarHBondContact O-N 2.83Å |
| 143 | N | 36.8 | Very low | 39.2 | Very low | 96 Ų | 96 | 95.5 Ų | 95.5 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -95.7 | 32 | -172 | -66.7 | -4.8 | 0 | 0 | 0 | 115.1 | ||
| 144 | T | 38.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 90.7 Ų | 90.7 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | trans | -125.2 | 25.7 | -175.7 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | V142 P146 | V142-T144 PolarHBondContact O-N 2.83Å; T144-P146 WeakPolarHBondContact O-CD 3.49Å | ||
| 145 | I | 36 | Very low | 39.1 | Very low | 90 Ų | 90 | 83.4 Ų | 83.4 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | trans | -101.1 | 103 | 168.1 | -55.8 | 179.5 | 0 | 0 | 0 | 108.5 | G147 L148 | I145-G147 PolarHBondContact O-N 3.23Å; I145-G147 VanDerWaalsContact O-N 3.11Å; I145-L148 HydrophobicContact CB-CB 4.26Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 PolarHBondContact O-N 3.05Å | ||
| 146 | P | 37.4 | Very low | 39 | Very low | 109 Ų | 109 | 80.3 Ų | 80.3 | 71% | 0.708 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 118.6 | 173 | -15.7 | 28.7 | 0 | 0 | 0 | 109 | T144 | T144-P146 WeakPolarHBondContact O-CD 3.49Š|
| 147 | G | 36.4 | Very low | 39.1 | Very low | 31 Ų | 31 | 80.5 Ų | 80.5 | 32% | 0.32 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | I145 F151 | I145-G147 PolarHBondContact O-N 3.23Å; I145-G147 VanDerWaalsContact O-N 3.11Å; G147-F151 PolarHBondContact O-N 3.45Å; G147-F151 VanDerWaalsContact O-N 3.07Å |
| 148 | L | 35.2 | Very low | 39.2 | Very low | 79 Ų | 79 | 79 Ų | 79 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.6 | -36.8 | 173.9 | -166.6 | 67.6 | 0 | 0 | 0 | 111.8 | I145 F151 N152 | I145-L148 HydrophobicContact CB-CB 4.26Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 PolarHBondContact O-N 3.05Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 2.87Å; L148-N152 PolarHBondContact O-N 2.85Å; L148-N152 VanDerWaalsContact O-N 3.1Å; L148-N152 PolarHBondContact O-ND2 2.86Å |
| 149 | D | 42.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 76.7 Ų | 76.7 | 62% | 0.62 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.5 | -37.7 | 175.1 | -60.6 | -31.8 | 0 | 0 | 0 | 111.6 | F151 N152 Y153 | D149-F151 VanDerWaalsContact C-N 3.34Å; D149-F151 PolarHBondContact O-N 2.8Å; D149-N152 PolarHBondContact O-N 2.9Å; D149-Y153 WeakPolarHBondContact O-CB 3.5Å; D149-Y153 PolarHBondContact O-N 2.81Å |
| 150 | A | 44.1 | Very low | 38.6 | Very low | 20 Ų | 20 | 75.1 Ų | 75.1 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y153 I154 | A150-Y153 PolarHBondContact O-N 2.92Å; A150-I154 WeakPolarHBondContact O-CD1 3.47Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 2.92Å |
| 151 | F | 39.8 | Very low | 39 | Very low | 87 Ų | 87 | 77.9 Ų | 77.9 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.8 | 179.7 | -98.9 | 0 | 0 | 0 | 111.4 | G147 L148 D149 Y153 I154 V155 | G147-F151 PolarHBondContact O-N 3.45Å; G147-F151 VanDerWaalsContact O-N 3.07Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 2.87Å; D149-F151 VanDerWaalsContact C-N 3.34Å; D149-F151 PolarHBondContact O-N 2.8Å; F151-Y153 VanDerWaalsContact C-N 3.33Å; F151-Y153 PolarHBondContact O-N 2.97Å; F151-I154 PolarHBondContact O-N 3.46Å; F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.35Å; F151-V155 HydrophobicContact CE1-CG2 4.02Å; F151-V155 HydrophobicContact CE2-CG2 4.07Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.9Å; F151-V155 VanDerWaalsContact O-CB 3.32Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.37Å; F151-V155 PolarHBondContact O-N 3.02Å |
| 152 | N | 42.5 | Very low | 38.8 | Very low | 39 Ų | 39 | 79.6 Ų | 79.6 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 177.5 | -73.2 | -35.6 | 0 | 0 | 0 | 112.7 | L148 D149 G156 N167 | L148-N152 PolarHBondContact O-N 2.85Å; L148-N152 VanDerWaalsContact O-N 3.1Å; L148-N152 PolarHBondContact O-ND2 2.86Å; D149-N152 PolarHBondContact O-N 2.9Å; N152-G156 PolarHBondContact O-N 3.32Å; N152-N167 PolarHBondContact ND2-OD1 2.83Å; N152-N167 PolarHBondContact OD1-OD1 3.12Å |
| 153 | Y | 43.3 | Very low | 38.6 | Very low | 86 Ų | 86 | 80.2 Ų | 80.2 | 34% | 0.337 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 175.9 | -176.5 | -94.3 | 0 | 0 | 0 | 112 | D149 A150 F151 G156 Q157 D281 | D149-Y153 WeakPolarHBondContact O-CB 3.5Å; D149-Y153 PolarHBondContact O-N 2.81Å; A150-Y153 PolarHBondContact O-N 2.92Å; F151-Y153 VanDerWaalsContact C-N 3.33Å; F151-Y153 PolarHBondContact O-N 2.97Å; Y153-G156 CarbonylContact O-C 3.57Å; Y153-G156 WeakPolarHBondContact O-CA 3.36Å; Y153-G156 PolarHBondContact O-N 2.84Å; Y153-G156 VanDerWaalsContact O-N 3.16Å; Y153-Q157 HydrophobicContact CD1-CG 4.36Å; Y153-Q157 HydrophobicContact CE1-CG 4.02Å; Y153-Q157 WeakPolarHBondContact O-CG 3.46Å; Y153-Q157 PolarHBondContact O-N 2.84Å; Y153-Q157 PolarHBondContact OH-NE2 2.88Å; Y153-D281 HydrophobicContact CE1-CB 4.04Å; Y153-D281 HydrophobicContact CE2-CB 4.31Å; Y153-D281 VanDerWaalsContact CE2-CG 3.4Å; Y153-D281 WeakPolarHBondContact CE2-OD1 3.34Å; Y153-D281 WeakPolarHBondContact CE2-OD2 3.13Å; Y153-D281 PolarHBondContact OH-OD2 3.49Å |
| 154 | I | 41.5 | Very low | 38.3 | Very low | 23 Ų | 23 | 81.7 Ų | 81.7 | 12% | 0.118 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -72.1 | -36.7 | -177.6 | -57 | 162.9 | 0 | 0 | 0 | 111.3 | A150 F151 G156 Q157 L158 P284 W307 | A150-I154 WeakPolarHBondContact O-CD1 3.47Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 2.92Å; F151-I154 PolarHBondContact O-N 3.46Å; I154-G156 VanDerWaalsContact C-N 3.25Å; I154-G156 PolarHBondContact O-N 2.96Å; I154-Q157 PolarHBondContact O-N 3.21Å; I154-L158 HydrophobicContact CG2-CD1 3.68Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3.07Å; I154-L158 VanDerWaalsContact O-N 3.09Å; I154-P284 HydrophobicContact CD1-CG 3.38Å; I154-W307 HydrophobicContact CB-CZ2 4.26Å; I154-W307 HydrophobicContact CG2-CH2 4.45Å; I154-W307 HydrophobicContact CG2-CZ2 3.35Å |
| 155 | V | 40.3 | Very low | 38 | Very low | 33 Ų | 33 | 79.6 Ų | 79.6 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.9 | -36 | 171.4 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | F151 L159 | F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.35Å; F151-V155 HydrophobicContact CE1-CG2 4.02Å; F151-V155 HydrophobicContact CE2-CG2 4.07Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.9Å; F151-V155 VanDerWaalsContact O-CB 3.32Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.37Å; F151-V155 PolarHBondContact O-N 3.02Å; V155-L159 HydrophobicContact CG1-CD1 3.86Å; V155-L159 PolarHBondContact O-N 3.24Å |
| 156 | G | 37.7 | Very low | 38.1 | Very low | 43 Ų | 43 | 77.8 Ų | 77.8 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71 | -27.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N152 Y153 I154 | N152-G156 PolarHBondContact O-N 3.32Å; Y153-G156 CarbonylContact O-C 3.57Å; Y153-G156 WeakPolarHBondContact O-CA 3.36Å; Y153-G156 PolarHBondContact O-N 2.84Å; Y153-G156 VanDerWaalsContact O-N 3.16Å; I154-G156 VanDerWaalsContact C-N 3.25Å; I154-G156 PolarHBondContact O-N 2.96Å |
| 157 | Q | 41.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 77 Ų | 77 | 60% | 0.598 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -84.2 | -26.5 | 176.8 | -74.1 | -163 | -26.8 | 0 | 0 | 114 | Y153 I154 | Y153-Q157 HydrophobicContact CD1-CG 4.36Å; Y153-Q157 HydrophobicContact CE1-CG 4.02Å; Y153-Q157 WeakPolarHBondContact O-CG 3.46Å; Y153-Q157 PolarHBondContact O-N 2.84Å; Y153-Q157 PolarHBondContact OH-NE2 2.88Å; I154-Q157 PolarHBondContact O-N 3.21Å |
| 158 | L | 39.8 | Very low | 38.2 | Very low | 77 Ų | 77 | 83.3 Ų | 83.3 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -91.8 | -9.8 | -178.4 | -69.8 | 165 | 0 | 0 | 0 | 113.8 | I154 W307 V308 | I154-L158 HydrophobicContact CG2-CD1 3.68Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3.07Å; I154-L158 VanDerWaalsContact O-N 3.09Å; L158-W307 HydrophobicContact CD1-CH2 3.27Å; L158-W307 HydrophobicContact CD1-CZ2 3.46Å; L158-W307 VanDerWaalsContact CD1-CZ2 3.46Å; L158-W307 HydrophobicContact CD1-CZ3 4.18Å; L158-V308 HydrophobicContact CD1-CG1 3.48Å; L158-V308 VanDerWaalsContact CD1-CG1 3.48Å; L158-V308 HydrophobicContact CD2-CG1 4.09Å; L158-V308 HydrophobicContact CG-CG1 4.45Å |
| 159 | L | 33.8 | Very low | 38.2 | Very low | 56 Ų | 56 | 85.3 Ų | 85.3 | 29% | 0.293 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -114.3 | 113.7 | 177.5 | -67.5 | 170.7 | 0 | 0 | 0 | 109.4 | L52 V155 Q161 V163 | L52-L159 HydrophobicContact CD2-CD2 3.73Å; V155-L159 HydrophobicContact CG1-CD1 3.86Å; V155-L159 PolarHBondContact O-N 3.24Å; L159-Q161 PolarHBondContact O-N 2.8Å; L159-V163 HydrophobicContact CD1-CB 4.17Å; L159-V163 HydrophobicContact CD1-CG1 4.45Å; L159-V163 HydrophobicContact CD1-CG2 4.12Å; L159-V163 HydrophobicContact CD2-CG2 4.49Å |
| 160 | P | 33 | Very low | 38 | Very low | 77 Ų | 77 | 84 Ų | 84 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | trans | -63.4 | 101.6 | 171.6 | 25.3 | -30.6 | 0 | 0 | 0 | 109.4 | S162 | P160-S162 WeakPolarHBondContact O-CB 3.44Å; P160-S162 PolarHBondContact O-N 2.83Å; P160-S162 PolarHBondContact O-OG 2.88Å | ||
| 161 | Q | 39.1 | Very low | 37.4 | Very low | 185 Ų | 185 | 86.7 Ų | 86.7 | 86% | 0.864 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 34.3 | 23.6 | 152 | -61.4 | -69.2 | -30 | 0 | 0 | 119 | L159 | L159-Q161 PolarHBondContact O-N 2.8Š|
| 162 | S | 33.7 | Very low | 37.2 | Very low | 103 Ų | 103 | 85.6 Ų | 85.6 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | trans | -124.9 | -3 | -177 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | P160 | P160-S162 WeakPolarHBondContact O-CB 3.44Å; P160-S162 PolarHBondContact O-N 2.83Å; P160-S162 PolarHBondContact O-OG 2.88Å | ||
| 163 | V | 37 | Very low | 37 | Very low | 86 Ų | 86 | 87.3 Ų | 87.3 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -109.6 | 111.7 | 170.8 | -173.8 | 0 | 0 | 0 | 0 | 106.5 | L159 | L159-V163 HydrophobicContact CD1-CB 4.17Å; L159-V163 HydrophobicContact CD1-CG1 4.45Å; L159-V163 HydrophobicContact CD1-CG2 4.12Å; L159-V163 HydrophobicContact CD2-CG2 4.49Å |
| 164 | L | 31.3 | Very low | 36.9 | Very low | 128 Ų | 128 | 85.9 Ų | 85.9 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | trans | -44.2 | 136.9 | 175.8 | -79.6 | 128.2 | 0 | 0 | 0 | 110.1 | V166 | L164-V166 PolarHBondContact O-N 3.1Š| ||
| 165 | P | 32.9 | Very low | 36.8 | Very low | 75 Ų | 75 | 91 Ų | 91 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | trans | -52.8 | 117.5 | 175.8 | 20.4 | -30.7 | 0 | 0 | 0 | 108.4 | N167 H168 | P165-N167 PolarHBondContact O-N 2.86Å; P165-H168 PolarHBondContact O-N 2.99Å | ||
| 166 | V | 37.3 | Very low | 36.8 | Very low | 52 Ų | 52 | 100.3 Ų | 100.3 | 32% | 0.315 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -59.2 | -11.7 | -176.2 | -137.9 | 0 | 0 | 0 | 0 | 111.8 | L164 H168 L169 L170 | L164-V166 PolarHBondContact O-N 3.1Å; V166-H168 VanDerWaalsContact C-N 3.25Å; V166-H168 PolarHBondContact O-N 3.3Å; V166-L169 PolarHBondContact O-N 3.26Å; V166-L170 HydrophobicContact CB-CD1 3.99Å; V166-L170 HydrophobicContact CG1-CD1 3.34Å; V166-L170 HydrophobicContact CG1-CG 3.88Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 PolarHBondContact O-N 3.2Å |
| 167 | N | 36.6 | Very low | 37.2 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -62 | -24.6 | 172.7 | -57.3 | -1.9 | 0 | 0 | 0 | 113.4 | N152 P165 | N152-N167 PolarHBondContact ND2-OD1 2.83Å; N152-N167 PolarHBondContact OD1-OD1 3.12Å; P165-N167 PolarHBondContact O-N 2.86Å |
| 168 | H | 39.7 | Very low | 37 | Very low | 164 Ų | 164 | 101.7 Ų | 101.7 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -92 | -8.3 | 175.3 | -80.8 | -75.6 | 0 | 0 | 0 | 114.5 | P165 V166 | P165-H168 PolarHBondContact O-N 2.99Å; V166-H168 VanDerWaalsContact C-N 3.25Å; V166-H168 PolarHBondContact O-N 3.3Å |
| 169 | L | 34.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 102.3 Ų | 102.3 | 63% | 0.628 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -13.9 | -178.1 | -71.6 | 167.1 | 0 | 0 | 0 | 113.5 | V166 | V166-L169 PolarHBondContact O-N 3.26Š|
| 170 | L | 38.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 109.5 Ų | 109.5 | 47% | 0.466 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -112.2 | -8.2 | -177.2 | -66.7 | 174.8 | 0 | 0 | 0 | 114.6 | V166 G172 V174 | V166-L170 HydrophobicContact CB-CD1 3.99Å; V166-L170 HydrophobicContact CG1-CD1 3.34Å; V166-L170 HydrophobicContact CG1-CG 3.88Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 PolarHBondContact O-N 3.2Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.22Å; L170-V174 HydrophobicContact CB-CG2 3.85Å; L170-V174 HydrophobicContact CD2-CG2 3.81Å; L170-V174 HydrophobicContact CG-CG2 4.36Å; L170-V174 VanDerWaalsContact O-CG2 3.3Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å |
| 171 | G | 32.4 | Very low | 38.1 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 79% | 0.794 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -13.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 172 | G | 35.3 | Very low | 38.2 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L170 | L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.22Å |
| 173 | T | 39 | Very low | 39 | Very low | 76 Ų | 76 | 102.3 Ų | 102.3 | 47% | 0.466 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.5 | -21.8 | -163.6 | 3.9 | 0 | 0 | 0 | 0 | 113.5 | R176 I177 | T173-R176 PolarHBondContact O-N 3.06Å; T173-I177 WeakPolarHBondContact O-CD1 3.13Å; T173-I177 WeakPolarHBondContact O-CG1 3.46Å |
| 174 | V | 40.8 | Very low | 39.3 | Very low | 55 Ų | 55 | 106.6 Ų | 106.6 | 33% | 0.333 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.2 | -34.3 | -176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L170 R176 I177 F178 | L170-V174 HydrophobicContact CB-CG2 3.85Å; L170-V174 HydrophobicContact CD2-CG2 3.81Å; L170-V174 HydrophobicContact CG-CG2 4.36Å; L170-V174 VanDerWaalsContact O-CG2 3.3Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å; V174-R176 PolarHBondContact O-N 3.01Å; V174-R176 VanDerWaalsContact O-N 3.15Å; V174-I177 PolarHBondContact O-N 2.77Å; V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.77Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å |
| 175 | N | 38.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 106.1 Ų | 106.1 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.6 | -7.1 | 175.9 | -95.3 | 2.7 | 0 | 0 | 0 | 115 | ||
| 176 | R | 40.4 | Very low | 40.7 | Very low | 229 Ų | 229 | 109.4 Ų | 109.4 | 86% | 0.864 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -101.5 | -12.3 | 176.1 | -91.7 | -177.8 | 173.5 | 141.8 | -2.9 | 114.4 | T173 V174 | T173-R176 PolarHBondContact O-N 3.06Å; V174-R176 PolarHBondContact O-N 3.01Å; V174-R176 VanDerWaalsContact O-N 3.15Å |
| 177 | I | 46 | Very low | 41.3 | Very low | 118 Ų | 118 | 108.3 Ų | 108.3 | 61% | 0.605 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -106.2 | -15.5 | -173.2 | -63.3 | 170.3 | 0 | 0 | 0 | 111.9 | T173 V174 | T173-I177 WeakPolarHBondContact O-CD1 3.13Å; T173-I177 WeakPolarHBondContact O-CG1 3.46Å; V174-I177 PolarHBondContact O-N 2.77Å |
| 178 | F | 37 | Very low | 41.8 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 36% | 0.36 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -110.2 | 120.4 | -175.7 | -71 | -85.4 | 0 | 0 | 0 | 112.3 | V174 A182 P183 | V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.77Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å; F178-A182 HydrophobicContact CD1-CB 4.25Å; F178-P183 HydrophobicContact CB-CG 4.48Å |
| 179 | P | 37.6 | Very low | 42.3 | Very low | 90 Ų | 90 | 103.5 Ų | 103.5 | 58% | 0.584 | 55% | 0.55 | S | S | * | * | trans | -58.1 | 143.4 | 167.2 | 3.6 | -1.8 | 0 | 0 | 0 | 109.4 | N181 A182 P183 | P179-N181 PolarHBondContact O-N 2.81Å; P179-A182 HydrophobicContact CG-CB 3.94Å; P179-A182 WeakPolarHBondContact O-CB 3.14Å; P179-A182 PolarHBondContact O-N 3.36Å; P179-P183 WeakPolarHBondContact O-CD 3.17Å | ||
| 180 | K | 46.6 | Very low | 43.3 | Very low | 206 Ų | 206 | 99 Ų | 99 | 90% | 0.896 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -16.6 | -170.7 | -64.8 | -177.3 | 177.6 | -179.5 | 0 | 115.8 | ||
| 181 | N | 46.6 | Very low | 43.9 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -8.8 | -178.7 | -56.8 | -18.5 | 0 | 0 | 0 | 114.2 | P179 P183 | P179-N181 PolarHBondContact O-N 2.81Å; N181-P183 VanDerWaalsContact C-CD 3.48Å |
| 182 | A | 40.9 | Very low | 45.1 | Very low | 30 Ų | 30 | 99.2 Ų | 99.2 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F178 P179 K184 N185 W186 | F178-A182 HydrophobicContact CD1-CB 4.25Å; P179-A182 HydrophobicContact CG-CB 3.94Å; P179-A182 WeakPolarHBondContact O-CB 3.14Å; P179-A182 PolarHBondContact O-N 3.36Å; A182-K184 VanDerWaalsContact C-N 3.3Å; A182-K184 PolarHBondContact O-N 2.98Å; A182-N185 PolarHBondContact O-N 2.81Å; A182-W186 WeakPolarHBondContact O-CB 3.34Å; A182-W186 PolarHBondContact O-N 2.79Å |
| 183 | P | 49.8 | Very low | 46.2 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | -174.9 | -23.7 | 32.1 | 0 | 0 | 0 | 113.3 | F178 P179 N181 A187 | F178-P183 HydrophobicContact CB-CG 4.48Å; P179-P183 WeakPolarHBondContact O-CD 3.17Å; N181-P183 VanDerWaalsContact C-CD 3.48Å; P183-A187 WeakPolarHBondContact O-CB 3.28Å; P183-A187 PolarHBondContact O-N 2.54Å |
| 184 | K | 43.4 | Very low | 47 | Very low | 175 Ų | 175 | 99.4 Ų | 99.4 | 76% | 0.761 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.7 | -40 | -175.6 | -165.5 | 174.3 | -177.2 | 176.6 | 0 | 112.4 | A182 R188 | A182-K184 VanDerWaalsContact C-N 3.3Å; A182-K184 PolarHBondContact O-N 2.98Å; K184-R188 WeakPolarHBondContact O-CB 3Å; K184-R188 PolarHBondContact O-N 2.96Å |
| 185 | N | 47.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 97.4 Ų | 97.4 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.4 | -37.3 | 178.7 | -68.9 | -10.9 | 0 | 0 | 0 | 111.4 | A182 S189 | A182-N185 PolarHBondContact O-N 2.81Å; N185-S189 WeakPolarHBondContact O-CB 3.05Å; N185-S189 PolarHBondContact O-N 2.79Å |
| 186 | W | 47 | Very low | 48.9 | Very low | 144 Ų | 144 | 95 Ų | 95 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.3 | -48.5 | 176.2 | -179.5 | 78.9 | 0 | 0 | 0 | 112 | A182 R188 S189 L190 | A182-W186 WeakPolarHBondContact O-CB 3.34Å; A182-W186 PolarHBondContact O-N 2.79Å; W186-R188 VanDerWaalsContact C-N 3.27Å; W186-R188 PolarHBondContact O-N 2.79Å; W186-S189 PolarHBondContact O-N 3.43Å; W186-S189 VanDerWaalsContact O-N 3.15Å; W186-L190 HydrophobicContact CH2-CD1 4.29Å; W186-L190 HydrophobicContact CH2-CD2 4.02Å; W186-L190 HydrophobicContact CZ2-CD1 3.79Å; W186-L190 HydrophobicContact CZ2-CD2 4.36Å; W186-L190 HydrophobicContact CZ3-CD2 4.34Å; W186-L190 VanDerWaalsContact O-CB 3.3Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.09Å |
| 187 | A | 48.4 | Very low | 49.9 | Very low | 30 Ų | 30 | 86.9 Ų | 86.9 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | P183 L190 F191 | P183-A187 WeakPolarHBondContact O-CB 3.28Å; P183-A187 PolarHBondContact O-N 2.54Å; A187-L190 PolarHBondContact O-N 3.43Å; A187-F191 HydrophobicContact CB-CD2 4.48Å; A187-F191 HydrophobicContact CB-CE2 4.47Å; A187-F191 WeakPolarHBondContact O-CB 3.49Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 2.89Å |
| 188 | R | 47.1 | Very low | 51.2 | Low | 111 Ų | 111 | 82.1 Ų | 82.1 | 42% | 0.419 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 175 | -175.6 | 179.7 | -177 | 149.7 | 5.2 | 112.5 | K184 W186 L190 F191 E192 | K184-R188 WeakPolarHBondContact O-CB 3Å; K184-R188 PolarHBondContact O-N 2.96Å; W186-R188 VanDerWaalsContact C-N 3.27Å; W186-R188 PolarHBondContact O-N 2.79Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.87Å; R188-F191 PolarHBondContact O-N 2.95Å; R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 3.78Å; R188-E192 IonicContact NE-OE1 2.93Å; R188-E192 PolarHBondContact NE-OE1 2.91Å; R188-E192 IonicContact NH2-OE1 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.4Å |
| 189 | S | 51 | Low | 53.1 | Low | 44 Ų | 44 | 79.2 Ų | 79.2 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | N185 W186 R193 | N185-S189 WeakPolarHBondContact O-CB 3.05Å; N185-S189 PolarHBondContact O-N 2.79Å; W186-S189 PolarHBondContact O-N 3.43Å; W186-S189 VanDerWaalsContact O-N 3.15Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.21Å; S189-R193 WeakPolarHBondContact O-CD 3.25Å; S189-R193 WeakPolarHBondContact O-CG 3.42Å; S189-R193 PolarHBondContact O-N 3.2Å; S189-R193 PolarHBondContact OG-NE 3.48Å |
| 190 | L | 54.5 | Low | 55.1 | Low | 27 Ų | 27 | 85.6 Ų | 85.6 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.1 | -164.4 | 90.2 | 0 | 0 | 0 | 111 | L63 W186 A187 R188 R193 I194 | L63-L190 HydrophobicContact CD2-CD1 4.43Å; W186-L190 HydrophobicContact CH2-CD1 4.29Å; W186-L190 HydrophobicContact CH2-CD2 4.02Å; W186-L190 HydrophobicContact CZ2-CD1 3.79Å; W186-L190 HydrophobicContact CZ2-CD2 4.36Å; W186-L190 HydrophobicContact CZ3-CD2 4.34Å; W186-L190 VanDerWaalsContact O-CB 3.3Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.09Å; A187-L190 PolarHBondContact O-N 3.43Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.87Å; L190-R193 PolarHBondContact O-N 3.14Å; L190-I194 HydrophobicContact CD1-CD1 4.48Å; L190-I194 HydrophobicContact CD2-CD1 3.71Å; L190-I194 HydrophobicContact CG-CD1 3.6Å; L190-I194 HydrophobicContact CG-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.31Å |
| 191 | F | 53 | Low | 57 | Low | 93 Ų | 93 | 76.7 Ų | 76.7 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.8 | -78.7 | -64.3 | 0 | 0 | 0 | 112.3 | A187 R188 R193 I194 T195 | A187-F191 HydrophobicContact CB-CD2 4.48Å; A187-F191 HydrophobicContact CB-CE2 4.47Å; A187-F191 WeakPolarHBondContact O-CB 3.49Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 2.89Å; R188-F191 PolarHBondContact O-N 2.95Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 PolarHBondContact O-N 3Å; F191-I194 PolarHBondContact O-N 3.24Å; F191-T195 PolarHBondContact O-N 3.36Å; F191-T195 PolarHBondContact O-OG1 2.95Å |
| 192 | E | 57.5 | Low | 58.9 | Low | 76 Ų | 76 | 73.6 Ų | 73.6 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 172.9 | -80.1 | 168.7 | -167.4 | 0 | 0 | 111.8 | R188 T195 N269 | R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 3.78Å; R188-E192 IonicContact NE-OE1 2.93Å; R188-E192 PolarHBondContact NE-OE1 2.91Å; R188-E192 IonicContact NH2-OE1 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.4Å; E192-T195 CarbonylContact O-C 3.55Å; E192-N269 WeakPolarHBondContact CG-ND2 3.22Å |
| 193 | R | 57.9 | Low | 61.2 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 36% | 0.362 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -76.9 | -33.1 | 177 | -73.8 | 168.6 | -175.3 | -114.4 | -5.5 | 114 | S66 S189 L190 F191 | S66-R193 PolarHBondContact OG-NH2 3.41Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.21Å; S189-R193 WeakPolarHBondContact O-CD 3.25Å; S189-R193 WeakPolarHBondContact O-CG 3.42Å; S189-R193 PolarHBondContact O-N 3.2Å; S189-R193 PolarHBondContact OG-NE 3.48Å; L190-R193 PolarHBondContact O-N 3.14Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 PolarHBondContact O-N 3Å |
| 194 | I | 56 | Low | 63.1 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -77.2 | -34.3 | -179.1 | -70.4 | 168.3 | 0 | 0 | 0 | 110.4 | L190 F191 P196 W307 | L190-I194 HydrophobicContact CD1-CD1 4.48Å; L190-I194 HydrophobicContact CD2-CD1 3.71Å; L190-I194 HydrophobicContact CG-CD1 3.6Å; L190-I194 HydrophobicContact CG-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.31Å; F191-I194 PolarHBondContact O-N 3.24Å; I194-P196 VanDerWaalsContact C-CD 3.44Å; I194-P196 WeakPolarHBondContact O-CD 3.42Å; I194-W307 HydrophobicContact CG2-CB 3.42Å; I194-W307 VanDerWaalsContact CG2-CB 3.42Å; I194-W307 HydrophobicContact CG2-CD2 4.21Å; I194-W307 HydrophobicContact CG2-CE3 4.27Å; I194-W307 HydrophobicContact CG2-CG 3.9Å |
| 195 | T | 60 | Low | 65.4 | Low | 13 Ų | 13 | 68.6 Ų | 68.6 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | trans | -121.7 | 69.1 | 177.7 | 61 | 0 | 0 | 0 | 0 | 111.4 | F191 E192 D197 A198 T286 W307 | F191-T195 PolarHBondContact O-N 3.36Å; F191-T195 PolarHBondContact O-OG1 2.95Å; E192-T195 CarbonylContact O-C 3.55Å; T195-D197 PolarHBondContact O-N 3.26Å; T195-A198 WeakPolarHBondContact O-CB 2.96Å; T195-A198 PolarHBondContact O-N 3.32Å; T195-T286 HydrophobicContact CG2-CG2 4.43Å; T195-W307 HydrophobicContact CG2-CB 3.8Å | ||
| 196 | P | 59.4 | Low | 67.5 | Low | 81 Ų | 81 | 63.5 Ų | 63.5 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.1 | 178.1 | 28 | -34.9 | 0 | 0 | 0 | 112 | I194 A198 | I194-P196 VanDerWaalsContact C-CD 3.44Å; I194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-A198 PolarHBondContact O-N 3.28Å |
| 197 | D | 61.4 | Low | 69.7 | Low | 58 Ų | 58 | 57.9 Ų | 57.9 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3 | -178.1 | -57.6 | -16.3 | 0 | 0 | 0 | 112.9 | T195 A199 I288 Y339 | T195-D197 PolarHBondContact O-N 3.26Å; D197-A199 PolarHBondContact O-N 2.98Å; D197-I288 HydrophobicContact CB-CB 4.41Å; D197-I288 HydrophobicContact CB-CG2 4.32Å; D197-I288 WeakPolarHBondContact O-CA 3.36Å; D197-Y339 PolarHBondContact OD2-OH 2.99Å; D197-Y339 VanDerWaalsContact OD2-OH 3.13Å |
| 198 | A | 72.4 | Confident | 71.8 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | trans | -65.7 | 117 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T195 P196 N269 T286 | T195-A198 WeakPolarHBondContact O-CB 2.96Å; T195-A198 PolarHBondContact O-N 3.32Å; P196-A198 PolarHBondContact O-N 3.28Å; A198-N269 HydrophobicContact CB-CB 4.04Å; A198-T286 HydrophobicContact CB-CG2 3.54Å | ||
| 199 | A | 77.4 | Confident | 74 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | trans | -65.4 | 149.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D197 I201 G270 V287 L290 | D197-A199 PolarHBondContact O-N 2.98Å; A199-I201 HydrophobicContact CB-CG1 4.4Å; A199-G270 WeakPolarHBondContact O-CA 3.07Å; A199-G270 PolarHBondContact O-N 3.07Å; A199-V287 PolarHBondContact N-O 3.49Å; A199-L290 HydrophobicContact CB-CD1 3.96Å; A199-L290 HydrophobicContact CB-CG 4.09Å | ||
| 200 | R | 79.4 | Confident | 76.1 | Confident | 224 Ų | 224 | 52.4 Ų | 52.4 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | trans | -81.1 | 115.9 | 166.8 | -69 | 179.9 | 64.3 | -178.8 | -2.6 | 108.2 | ||||
| 201 | I | 85.3 | Confident | 77.9 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | trans | -113.6 | 137.1 | -170.9 | -48.7 | 171 | 0 | 0 | 0 | 110.5 | A199 M206 F272 V287 L290 Y299 | A199-I201 HydrophobicContact CB-CG1 4.4Å; I201-M206 HydrophobicContact CG2-CG 3.51Å; I201-M206 HydrophobicContact CG2-SD 4.09Å; I201-F272 HydrophobicContact CD1-CE2 3.48Å; I201-F272 VanDerWaalsContact CD1-CE2 3.48Å; I201-F272 HydrophobicContact CD1-CZ 3.87Å; I201-V287 HydrophobicContact CD1-CB 3.52Å; I201-V287 HydrophobicContact CD1-CG1 4.22Å; I201-V287 HydrophobicContact CD1-CG2 3.46Å; I201-V287 VanDerWaalsContact CD1-CG2 3.46Å; I201-V287 HydrophobicContact CG1-CB 4.35Å; I201-L290 HydrophobicContact CB-CD1 4.42Å; I201-L290 HydrophobicContact CG1-CD1 4Å; I201-L290 HydrophobicContact CG2-CD1 4.46Å; I201-Y299 HydrophobicContact CG2-CE2 3.82Å | ||
| 202 | N | 88.1 | Confident | 79.7 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | trans | -82.6 | 110.9 | 156.4 | -177.2 | 11.8 | 0 | 0 | 0 | 109.5 | E204 S205 Y299 | N202-E204 PolarHBondContact O-N 2.82Å; N202-E204 PolarHBondContact OD1-N 3.17Å; N202-S205 PolarHBondContact ND2-OG 2.82Å; N202-S205 PolarHBondContact O-N 3.45Å; N202-Y299 PolarHBondContact N-OH 3.36Å; N202-Y299 WeakPolarHBondContact O-CE2 3.48Å | ||
| 203 | V | 88.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -63.2 | -30.6 | -175.4 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | M206 M207 L232 A239 K265 F272 | V203-M206 WeakPolarHBondContact O-CB 3.36Å; V203-M206 PolarHBondContact O-N 2.87Å; V203-M206 VanDerWaalsContact O-N 3.12Å; V203-M207 HydrophobicContact CG1-CE 4.18Å; V203-M207 WeakPolarHBondContact O-CE 3.27Å; V203-L232 HydrophobicContact CB-CD1 4.46Å; V203-L232 HydrophobicContact CG1-CD1 3.59Å; V203-L232 HydrophobicContact CG1-CD2 4.39Å; V203-A239 HydrophobicContact CB-CB 4.3Å; V203-A239 HydrophobicContact CG1-CB 3.96Å; V203-A239 HydrophobicContact CG2-CB 4.03Å; V203-K265 HydrophobicContact CG2-CD 3.42Å; V203-K265 VanDerWaalsContact CG2-CD 3.42Å; V203-F272 HydrophobicContact CG1-CE1 4.46Å; V203-F272 HydrophobicContact CG2-CE1 4.5Å |
| 204 | E | 90.4 | Very high | 82.8 | Confident | 131 Ų | 131 | 40 Ų | 40 | 61% | 0.612 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -62.7 | -43.9 | 177.6 | -170.9 | 172.1 | -163.1 | 0 | 0 | 111.9 | N202 M206 M207 L232 | N202-E204 PolarHBondContact O-N 2.82Å; N202-E204 PolarHBondContact OD1-N 3.17Å; E204-M206 PolarHBondContact O-N 2.8Å; E204-M206 VanDerWaalsContact O-N 3.1Å; E204-M207 WeakPolarHBondContact O-CB 3.49Å; E204-M207 PolarHBondContact O-N 2.87Å; E204-L232 HydrophobicContact CB-CD2 4.22Å |
| 205 | S | 92 | Very high | 84.3 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -67.1 | -9.9 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 114 | N202 N297 Y299 R317 | N202-S205 PolarHBondContact ND2-OG 2.82Å; N202-S205 PolarHBondContact O-N 3.45Å; S205-N297 WeakPolarHBondContact CB-O 3.31Å; S205-N297 PolarHBondContact OG-O 3.09Å; S205-Y299 VanDerWaalsContact CB-CE2 3.47Å; S205-Y299 PolarHBondContact O-N 3.3Å; S205-R317 PolarHBondContact O-NH2 3.33Å |
| 206 | M | 91.4 | Very high | 85.5 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -86.6 | -14.1 | 171.9 | -66.3 | -68.3 | -65.7 | 0 | 0 | 112.9 | I201 V203 E204 W210 F229 L290 Y299 A302 R317 | I201-M206 HydrophobicContact CG2-CG 3.51Å; I201-M206 HydrophobicContact CG2-SD 4.09Å; V203-M206 WeakPolarHBondContact O-CB 3.36Å; V203-M206 PolarHBondContact O-N 2.87Å; V203-M206 VanDerWaalsContact O-N 3.12Å; E204-M206 PolarHBondContact O-N 2.8Å; E204-M206 VanDerWaalsContact O-N 3.1Å; M206-W210 HydrophobicContact CE-CZ2 4.14Å; M206-W210 PolarHBondContact O-NE1 3.42Å; M206-W210 HydrophobicContact SD-CZ2 3.99Å; M206-F229 WeakPolarHBondContact O-CD2 2.96Å; M206-L290 HydrophobicContact SD-CD2 4.11Å; M206-Y299 HydrophobicContact CG-CD2 4.13Å; M206-Y299 HydrophobicContact CG-CE2 4.26Å; M206-Y299 HydrophobicContact SD-CD2 3.66Å; M206-Y299 HydrophobicContact SD-CE2 4.21Å; M206-A302 HydrophobicContact CE-CB 4.03Å; M206-A302 HydrophobicContact SD-CB 4.38Å; M206-R317 PolarHBondContact O-NH2 2.82Å |
| 207 | M | 93.1 | Very high | 86.1 | Confident | 26 Ų | 26 | 36 Ų | 36 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | trans | -71.2 | 156.3 | -176.4 | -64.3 | -59.4 | 102.5 | 0 | 0 | 112.7 | V203 E204 F229 L232 F241 R317 | V203-M207 HydrophobicContact CG1-CE 4.18Å; V203-M207 WeakPolarHBondContact O-CE 3.27Å; E204-M207 WeakPolarHBondContact O-CB 3.49Å; E204-M207 PolarHBondContact O-N 2.87Å; M207-F229 HydrophobicContact CE-CB 3.9Å; M207-F229 HydrophobicContact SD-CB 4.09Å; M207-L232 HydrophobicContact CE-CD1 4.44Å; M207-L232 HydrophobicContact CG-CB 4.02Å; M207-L232 HydrophobicContact CG-CD2 3.89Å; M207-L232 HydrophobicContact CG-CG 4.48Å; M207-L232 HydrophobicContact SD-CB 3.77Å; M207-L232 HydrophobicContact SD-CD1 4.42Å; M207-L232 HydrophobicContact SD-CD2 4.4Å; M207-L232 HydrophobicContact SD-CG 4.42Å; M207-F241 HydrophobicContact CE-CB 3.99Å; M207-F241 HydrophobicContact CE-CD1 4.4Å; M207-F241 HydrophobicContact CE-CD2 4.27Å; M207-F241 HydrophobicContact CE-CG 3.98Å; M207-F241 HydrophobicContact SD-CB 4.06Å; M207-R317 PolarHBondContact O-NH1 2.88Å; M207-R317 PolarHBondContact O-NH2 2.97Å | ||
| 208 | G | 92.7 | Very high | 86.6 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.3 | -161.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F229 R317 | G208-F229 PolarHBondContact N-O 3.44Å; G208-F229 PolarHBondContact O-N 3.34Å; G208-R317 VanDerWaalsContact C-NH1 3.29Å |
| 209 | R | 92.8 | Very high | 86.6 | Confident | 54 Ų | 54 | 41.5 Ų | 41.5 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 142.8 | -172.9 | -174.2 | 180 | 57.4 | -169.5 | -10.5 | 113 | F211 V226 S227 R317 F364 S365 A367 | R209-F211 HydrophobicContact CG-CE2 4.12Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-V226 HydrophobicContact CG-CG1 3.78Å; R209-S227 CarbonylContact C-O 3.54Å; R209-S227 WeakPolarHBondContact CA-O 3.32Å; R209-R317 WeakPolarHBondContact O-CD 3.44Å; R209-R317 PolarHBondContact O-NH1 2.97Å; R209-F364 PolarHBondContact NH1-O 3.25Å; R209-S365 VanDerWaalsContact NH1-C 3.32Å; R209-S365 PolarHBondContact NH1-O 3.45Å; R209-A367 PolarHBondContact NH1-O 3.28Å; R209-A367 PolarHBondContact NH2-O 3.45Å; R209-A367 VanDerWaalsContact NH2-O 3.15Å |
| 210 | W | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137 | 178.9 | -70.8 | 98.6 | 0 | 0 | 0 | 110.9 | M206 V226 S227 F229 Y299 A302 L315 R317 | M206-W210 HydrophobicContact CE-CZ2 4.14Å; M206-W210 PolarHBondContact O-NE1 3.42Å; M206-W210 HydrophobicContact SD-CZ2 3.99Å; W210-V226 CarbonylContact O-C 3.56Å; W210-V226 WeakPolarHBondContact O-CA 3.32Å; W210-V226 WeakPolarHBondContact O-CG1 3.5Å; W210-S227 PolarHBondContact N-O 2.87Å; W210-S227 PolarHBondContact O-N 2.91Å; W210-F229 AromaticContact CD1-CD2 3.4Å; W210-F229 AromaticContact CD1-CE2 3.46Å; W210-F229 VanDerWaalsContact CD1-CE2 3.46Å; W210-F229 HydrophobicContact CG-CD2 4.48Å; W210-F229 HydrophobicContact CG-CE2 4.19Å; W210-F229 AromaticContact NE1-CD2 3.45Å; W210-F229 AromaticContact NE1-CE2 3.68Å; W210-Y299 WeakPolarHBondContact CH2-O 3.35Å; W210-A302 HydrophobicContact CH2-CB 4.27Å; W210-A302 HydrophobicContact CZ3-CB 4.48Å; W210-L315 HydrophobicContact CB-CB 4.23Å; W210-L315 HydrophobicContact CB-CD1 4.47Å; W210-L315 HydrophobicContact CD2-CB 4.07Å; W210-L315 HydrophobicContact CE3-CB 3.6Å; W210-L315 HydrophobicContact CG-CB 4.38Å; W210-L315 HydrophobicContact CG-CD1 4.48Å; W210-L315 HydrophobicContact CZ3-CB 4.25Å; W210-R317 HydrophobicContact CE3-CG 4.33Å; W210-R317 HydrophobicContact CH2-CG 4.26Å; W210-R317 VanDerWaalsContact CZ2-NH2 3.34Å; W210-R317 HydrophobicContact CZ3-CG 3.98Å |
| 211 | F | 92.4 | Very high | 86.5 | Confident | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.9 | 173.1 | -61.3 | -88.3 | 0 | 0 | 0 | 109.7 | R209 V213 V226 L315 A316 R317 P319 Y355 Y360 | R209-F211 HydrophobicContact CG-CE2 4.12Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; F211-V213 PolarHBondContact O-N 2.86Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.75Å; F211-V226 HydrophobicContact CE1-CG1 4.09Å; F211-V226 HydrophobicContact CE1-CG2 3.86Å; F211-L315 CarbonylContact O-C 3.5Å; F211-L315 WeakPolarHBondContact O-CA 3.41Å; F211-A316 PolarHBondContact N-O 2.89Å; F211-A316 PolarHBondContact O-N 3.46Å; F211-R317 VanDerWaalsContact CD2-O 3.24Å; F211-R317 WeakPolarHBondContact CD2-O 3.41Å; F211-R317 VanDerWaalsContact CE2-O 3.29Å; F211-R317 WeakPolarHBondContact CE2-O 3.32Å; F211-P319 HydrophobicContact CB-CB 4.5Å; F211-P319 HydrophobicContact CB-CG 4.35Å; F211-P319 HydrophobicContact CD2-CG 4.4Å; F211-P319 HydrophobicContact CG-CG 4.21Å; F211-Y355 HydrophobicContact CD1-CD2 4.5Å; F211-Y355 AromaticContact CD1-CE2 3.65Å; F211-Y355 HydrophobicContact CD1-CE2 3.65Å; F211-Y355 AromaticContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CG-CE2 4.32Å; F211-Y360 HydrophobicContact CD1-CE1 4.46Å |
| 212 | Q | 91.3 | Very high | 86.4 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 112.3 | 174.1 | -170.2 | 166.7 | -24.9 | 0 | 0 | 109.5 | T215 S225 V314 L315 V353 | Q212-T215 PolarHBondContact NE2-OG1 2.9Å; Q212-S225 PolarHBondContact N-O 3.5Å; Q212-S225 PolarHBondContact OE1-OG 3.04Å; Q212-V314 WeakPolarHBondContact CA-O 3.12Å; Q212-L315 HydrophobicContact CB-CD2 4.26Å; Q212-L315 HydrophobicContact CG-CD2 4.49Å; Q212-V353 WeakPolarHBondContact O-CG2 3.35Å |
| 213 | V | 91.4 | Very high | 86.3 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -22.2 | -174.8 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | F211 V314 A316 P319 F322 P352 V353 | F211-V213 PolarHBondContact O-N 2.86Å; V213-V314 HydrophobicContact CG2-CB 3.92Å; V213-V314 HydrophobicContact CG2-CG1 3.74Å; V213-V314 VanDerWaalsContact CG2-O 3.29Å; V213-V314 WeakPolarHBondContact CG2-O 3.46Å; V213-V314 PolarHBondContact N-O 2.83Å; V213-A316 HydrophobicContact CB-CB 4.47Å; V213-A316 HydrophobicContact CG1-CB 3.72Å; V213-A316 HydrophobicContact CG2-CB 3.87Å; V213-P319 HydrophobicContact CG1-CB 3.74Å; V213-F322 HydrophobicContact CB-CD1 3.8Å; V213-F322 HydrophobicContact CB-CE1 4.03Å; V213-F322 HydrophobicContact CB-CG 4.46Å; V213-F322 HydrophobicContact CG1-CD1 4.17Å; V213-F322 HydrophobicContact CG1-CG 4.47Å; V213-F322 HydrophobicContact CG2-CD1 3.49Å; V213-F322 VanDerWaalsContact CG2-CD1 3.49Å; V213-F322 HydrophobicContact CG2-CD2 4.27Å; V213-F322 HydrophobicContact CG2-CE1 3.44Å; V213-F322 VanDerWaalsContact CG2-CE1 3.44Å; V213-F322 HydrophobicContact CG2-CE2 4.23Å; V213-F322 HydrophobicContact CG2-CG 3.93Å; V213-F322 HydrophobicContact CG2-CZ 3.85Å; V213-P352 CarbonylContact O-C 3.56Å; V213-P352 WeakPolarHBondContact O-CA 3.32Å; V213-V353 PolarHBondContact O-N 3.34Å |
| 214 | I | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.2 | 169.1 | -62.8 | 167.4 | 0 | 0 | 0 | 107.3 | F313 V314 F322 M327 V330 L331 I350 A351 | I214-F313 WeakPolarHBondContact O-CA 3.22Å; I214-V314 HydrophobicContact CB-CB 3.79Å; I214-V314 HydrophobicContact CB-CG2 3.78Å; I214-V314 HydrophobicContact CD1-CB 4.13Å; I214-V314 HydrophobicContact CD1-CG2 3.79Å; I214-V314 HydrophobicContact CG1-CB 4.2Å; I214-V314 HydrophobicContact CG1-CG2 4.23Å; I214-V314 HydrophobicContact CG2-CG2 4.35Å; I214-V314 PolarHBondContact N-O 3.37Å; I214-V314 PolarHBondContact O-N 2.87Å; I214-F322 HydrophobicContact CD1-CE1 4.25Å; I214-F322 HydrophobicContact CD1-CZ 4.29Å; I214-M327 HydrophobicContact CD1-SD 3.87Å; I214-M327 HydrophobicContact CG1-SD 4.16Å; I214-V330 HydrophobicContact CD1-CG1 4.2Å; I214-L331 HydrophobicContact CD1-CD2 4.03Å; I214-I350 HydrophobicContact CG2-CG2 3.35Å; I214-A351 WeakPolarHBondContact CA-O 3.46Å |
| 215 | T | 87.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.7 | -178.3 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | Q212 P217 I350 A351 V353 | Q212-T215 PolarHBondContact NE2-OG1 2.9Å; T215-P217 VanDerWaalsContact O-CD 3.3Å; T215-P217 WeakPolarHBondContact O-CD 3.49Å; T215-I350 WeakPolarHBondContact O-CA 3.07Å; T215-A351 PolarHBondContact N-O 3.29Å; T215-A351 PolarHBondContact O-N 3.45Å; T215-V353 HydrophobicContact CG2-CG2 3.93Å |
| 216 | S | 83.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -102 | 89.8 | 165.2 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | H218 V219 I220 V312 M349 | S216-H218 PolarHBondContact O-N 2.86Å; S216-H218 VanDerWaalsContact O-N 3.14Å; S216-V219 PolarHBondContact O-N 2.73Å; S216-V219 VanDerWaalsContact O-N 3.09Å; S216-I220 PolarHBondContact O-N 3.29Å; S216-V312 PolarHBondContact OG-N 3.02Å; S216-V312 PolarHBondContact OG-O 3.34Å; S216-M349 WeakPolarHBondContact CA-O 3.13Å; S216-M349 VanDerWaalsContact CB-O 3.22Å; S216-M349 WeakPolarHBondContact CB-O 3.3Å; S216-M349 PolarHBondContact OG-O 3.27Å | ||
| 217 | P | 73 | Confident | 86.2 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.6 | -169.7 | 26.2 | -34.9 | 0 | 0 | 0 | 113.7 | T215 V219 I220 A351 | T215-P217 VanDerWaalsContact O-CD 3.3Å; T215-P217 WeakPolarHBondContact O-CD 3.49Å; P217-V219 VanDerWaalsContact C-N 3.3Å; P217-V219 PolarHBondContact O-N 2.92Å; P217-I220 CarbonylContact O-C 3.58Å; P217-A351 HydrophobicContact CG-CB 4.5Å |
| 218 | H | 71.6 | Confident | 86.2 | Confident | 117 Ų | 117 | 34.5 Ų | 34.5 | 54% | 0.542 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.1 | 178.6 | -63.6 | -14 | 0 | 0 | 0 | 113.6 | S216 L347 | S216-H218 PolarHBondContact O-N 2.86Å; S216-H218 VanDerWaalsContact O-N 3.14Å; H218-L347 PolarHBondContact NE2-O 3.21Å |
| 219 | V | 73.2 | Confident | 86.2 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -45.6 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | S216 P217 F310 P311 | S216-V219 PolarHBondContact O-N 2.73Å; S216-V219 VanDerWaalsContact O-N 3.09Å; P217-V219 VanDerWaalsContact C-N 3.3Å; P217-V219 PolarHBondContact O-N 2.92Å; V219-F310 HydrophobicContact CG2-CD1 4.16Å; V219-F310 HydrophobicContact CG2-CE1 3.16Å; V219-F310 HydrophobicContact CG2-CE2 4.43Å; V219-F310 HydrophobicContact CG2-CZ 3.34Å; V219-P311 HydrophobicContact CB-CB 4.27Å; V219-P311 HydrophobicContact CG1-CB 4.33Å; V219-P311 HydrophobicContact CG1-CG 4.24Å; V219-P311 HydrophobicContact CG2-CB 4.09Å |
| 220 | I | 73.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 32.8 Ų | 32.8 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | trans | -118.7 | 106.8 | -175.5 | -59.8 | -167.8 | 0 | 0 | 0 | 108.6 | S216 P217 E222 F313 | S216-I220 PolarHBondContact O-N 3.29Å; P217-I220 CarbonylContact O-C 3.58Å; I220-E222 HydrophobicContact CG2-CB 3.68Å; I220-E222 HydrophobicContact CG2-CG 3.33Å; I220-E222 VanDerWaalsContact CG2-OE2 3.25Å; I220-E222 WeakPolarHBondContact CG2-OE2 3.37Å; I220-E222 PolarHBondContact O-N 2.91Å; I220-F313 HydrophobicContact CD1-CE1 3.68Å; I220-F313 HydrophobicContact CD1-CE2 4.05Å; I220-F313 HydrophobicContact CD1-CZ 3.23Å; I220-F313 HydrophobicContact CG1-CE1 4.17Å; I220-F313 HydrophobicContact CG1-CZ 3.84Å | ||
| 221 | R | 80.2 | Confident | 85.8 | Confident | 178 Ų | 178 | 36.2 Ų | 36.2 | 67% | 0.672 | 19% | 0.194 | S | C | * | . | trans | -80.9 | 62.2 | 175 | -65 | -173.4 | 179.5 | -171.8 | -0.2 | 110.9 | G250 | R221-G250 WeakPolarHBondContact O-CA 3.38Å; R221-G250 PolarHBondContact O-N 2.51Å | ||
| 222 | E | 84.5 | Confident | 85.7 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.9 | 179.6 | -58.4 | 173.2 | 175.2 | 0 | 0 | 110.3 | I220 K245 Y247 R248 | I220-E222 HydrophobicContact CG2-CB 3.68Å; I220-E222 HydrophobicContact CG2-CG 3.33Å; I220-E222 VanDerWaalsContact CG2-OE2 3.25Å; I220-E222 WeakPolarHBondContact CG2-OE2 3.37Å; I220-E222 PolarHBondContact O-N 2.91Å; E222-K245 IonicContact OE1-NZ 2.54Å; E222-K245 PolarHBondContact OE1-NZ 3.23Å; E222-K245 WeakPolarHBondContact OE2-CE 3.46Å; E222-K245 IonicContact OE2-NZ 2.87Å; E222-K245 PolarHBondContact OE2-NZ 3.3Å; E222-Y247 HydrophobicContact CB-CD2 3.84Å; E222-Y247 HydrophobicContact CB-CG 4.22Å; E222-Y247 HydrophobicContact CG-CD2 3.41Å; E222-Y247 VanDerWaalsContact CG-CD2 3.41Å; E222-Y247 HydrophobicContact CG-CE2 3.74Å; E222-Y247 HydrophobicContact CG-CG 3.96Å; E222-R248 WeakPolarHBondContact CA-O 3.29Å |
| 223 | A | 84.8 | Confident | 85.5 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 157.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S225 R248 V252 | A223-S225 VanDerWaalsContact C-N 3.28Å; A223-S225 PolarHBondContact O-N 3.42Å; A223-R248 HydrophobicContact CB-CB 4.47Å; A223-R248 PolarHBondContact N-O 2.75Å; A223-R248 PolarHBondContact O-N 2.78Å; A223-V252 HydrophobicContact CB-CG2 3.96Å |
| 224 | C | 86.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 42.7 | 174.5 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | V226 C358 Y360 | C224-V226 PolarHBondContact O-N 2.86Å; C224-C358 WeakPolarHBondContact CA-SG 3.41Å; C224-C358 HydrophobicContact CB-CB 3.65Å; C224-C358 WeakPolarHBondContact CB-SG 3.49Å; C224-C358 WeakPolarHBondContact SG-CA 3.25Å; C224-C358 WeakPolarHBondContact SG-CB 3.21Å; C224-C358 CovalentContact SG-SG 2.03Å; C224-C358 PolarHBondContact SG-SG 3.11Å; C224-Y360 WeakPolarHBondContact CA-OH 3.35Å; C224-Y360 HydrophobicContact CB-CE1 3.89Å; C224-Y360 WeakPolarHBondContact O-CE1 3.34Å |
| 225 | S | 89.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.1 | -176.6 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Q212 A223 K245 F246 | Q212-S225 PolarHBondContact N-O 3.5Å; Q212-S225 PolarHBondContact OE1-OG 3.04Å; A223-S225 VanDerWaalsContact C-N 3.28Å; A223-S225 PolarHBondContact O-N 3.42Å; S225-K245 WeakPolarHBondContact OG-CE 3.38Å; S225-F246 CarbonylContact C-O 3.56Å; S225-F246 WeakPolarHBondContact CA-O 3.22Å |
| 226 | V | 91.3 | Very high | 84 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.6 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 108.4 | R209 W210 F211 C224 K245 F246 Y360 | R209-V226 HydrophobicContact CG-CG1 3.78Å; W210-V226 CarbonylContact O-C 3.56Å; W210-V226 WeakPolarHBondContact O-CA 3.32Å; W210-V226 WeakPolarHBondContact O-CG1 3.5Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.75Å; F211-V226 HydrophobicContact CE1-CG1 4.09Å; F211-V226 HydrophobicContact CE1-CG2 3.86Å; C224-V226 PolarHBondContact O-N 2.86Å; V226-K245 CarbonylContact O-C 3.52Å; V226-K245 WeakPolarHBondContact O-CA 3.35Å; V226-F246 PolarHBondContact N-O 3.49Å; V226-F246 PolarHBondContact O-N 3.13Å; V226-Y360 HydrophobicContact CG2-CD1 3.45Å; V226-Y360 VanDerWaalsContact CG2-CD1 3.45Å; V226-Y360 HydrophobicContact CG2-CE1 3.16Å |
| 227 | S | 91.6 | Very high | 83.4 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.4 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 110 | R209 W210 L244 | R209-S227 CarbonylContact C-O 3.54Å; R209-S227 WeakPolarHBondContact CA-O 3.32Å; W210-S227 PolarHBondContact N-O 2.87Å; W210-S227 PolarHBondContact O-N 2.91Å; S227-L244 CarbonylContact C-O 3.45Å; S227-L244 WeakPolarHBondContact CA-O 3.44Å |
| 228 | H | 93.3 | Very high | 83.8 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.6 | 172.5 | -172.8 | -91.7 | 0 | 0 | 0 | 109.2 | L244 | H228-L244 HydrophobicContact CB-CB 4.48Å; H228-L244 PolarHBondContact N-O 2.74Å; H228-L244 PolarHBondContact O-N 3.33Å |
| 229 | F | 92.7 | Very high | 84.5 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.3 | 177.9 | -56.7 | -26.2 | 0 | 0 | 0 | 109.7 | M206 M207 G208 W210 F241 T242 I243 L315 | M206-F229 WeakPolarHBondContact O-CD2 2.96Å; M207-F229 HydrophobicContact CE-CB 3.9Å; M207-F229 HydrophobicContact SD-CB 4.09Å; G208-F229 PolarHBondContact N-O 3.44Å; G208-F229 PolarHBondContact O-N 3.34Å; W210-F229 AromaticContact CD1-CD2 3.4Å; W210-F229 AromaticContact CD1-CE2 3.46Å; W210-F229 VanDerWaalsContact CD1-CE2 3.46Å; W210-F229 HydrophobicContact CG-CD2 4.48Å; W210-F229 HydrophobicContact CG-CE2 4.19Å; W210-F229 AromaticContact NE1-CD2 3.45Å; W210-F229 AromaticContact NE1-CE2 3.68Å; F229-F241 HydrophobicContact CB-CD2 4.17Å; F229-F241 HydrophobicContact CD1-CD2 4.39Å; F229-F241 HydrophobicContact CD1-CE2 4.13Å; F229-F241 HydrophobicContact CG-CD2 4.29Å; F229-F241 HydrophobicContact CG-CE2 4.17Å; F229-T242 WeakPolarHBondContact CA-O 3.37Å; F229-I243 HydrophobicContact CD1-CB 4.25Å; F229-I243 HydrophobicContact CD1-CG1 3.76Å; F229-I243 HydrophobicContact CD1-CG2 4.02Å; F229-I243 HydrophobicContact CE1-CB 4.36Å; F229-I243 HydrophobicContact CE1-CD1 4.4Å; F229-I243 HydrophobicContact CE1-CG1 3.88Å; F229-I243 HydrophobicContact CE1-CG2 3.77Å; F229-L315 HydrophobicContact CE2-CD1 4.2Å; F229-L315 HydrophobicContact CZ-CD1 4.08Å |
| 230 | G | 91.7 | Very high | 85.3 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -171.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L232 F241 T242 | G230-L232 PolarHBondContact O-N 2.94Å; G230-F241 WeakPolarHBondContact O-CA 3.48Å; G230-F241 WeakPolarHBondContact O-CB 3.46Å; G230-T242 PolarHBondContact N-O 2.83Å; G230-T242 PolarHBondContact O-N 3.45Å; G230-T242 PolarHBondContact O-OG1 2.79Å; G230-T242 VanDerWaalsContact O-OG1 3.11Å |
| 231 | A | 88.8 | Confident | 86.1 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 44.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T233 T242 | A231-T233 PolarHBondContact O-N 3.36Å; A231-T242 HydrophobicContact CB-CG2 3.86Å; A231-T242 WeakPolarHBondContact CB-OG1 3.21Å |
| 232 | L | 88.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120.2 | -179.1 | -179.9 | 60.5 | 0 | 0 | 0 | 110.4 | V203 E204 M207 G230 N234 A239 T240 F241 | V203-L232 HydrophobicContact CB-CD1 4.46Å; V203-L232 HydrophobicContact CG1-CD1 3.59Å; V203-L232 HydrophobicContact CG1-CD2 4.39Å; E204-L232 HydrophobicContact CB-CD2 4.22Å; M207-L232 HydrophobicContact CE-CD1 4.44Å; M207-L232 HydrophobicContact CG-CB 4.02Å; M207-L232 HydrophobicContact CG-CD2 3.89Å; M207-L232 HydrophobicContact CG-CG 4.48Å; M207-L232 HydrophobicContact SD-CB 3.77Å; M207-L232 HydrophobicContact SD-CD1 4.42Å; M207-L232 HydrophobicContact SD-CD2 4.4Å; M207-L232 HydrophobicContact SD-CG 4.42Å; G230-L232 PolarHBondContact O-N 2.94Å; L232-N234 HydrophobicContact CD1-CB 4.3Å; L232-N234 HydrophobicContact CD2-CB 4.35Å; L232-N234 HydrophobicContact CG-CB 4.12Å; L232-A239 HydrophobicContact CD1-CB 4.19Å; L232-T240 CarbonylContact C-O 3.57Å; L232-T240 WeakPolarHBondContact CA-O 3.5Å; L232-F241 HydrophobicContact CD1-CB 4.36Å |
| 233 | T | 88.2 | Confident | 87 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 106.7 | 164.5 | -55 | 0 | 0 | 0 | 0 | 107.3 | A231 A239 T240 | A231-T233 PolarHBondContact O-N 3.36Å; T233-A239 CarbonylContact O-C 3.57Å; T233-A239 WeakPolarHBondContact O-CA 3.46Å; T233-T240 WeakPolarHBondContact CB-OG1 3.46Å; T233-T240 PolarHBondContact N-O 2.92Å; T233-T240 PolarHBondContact O-N 2.9Å |
| 234 | N | 84.3 | Confident | 87.3 | Confident | 89 Ų | 89 | 52.4 Ų | 52.4 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.8 | -175.7 | -169.2 | 16 | 0 | 0 | 0 | 110.4 | L232 | L232-N234 HydrophobicContact CD1-CB 4.3Å; L232-N234 HydrophobicContact CD2-CB 4.35Å; L232-N234 HydrophobicContact CG-CB 4.12Å |
| 235 | N | 79.1 | Confident | 87.4 | Confident | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | trans | -116.9 | 166.8 | 175.4 | -66.5 | -9.1 | 0 | 0 | 0 | 109.5 | Y237 S238 | N235-Y237 PolarHBondContact O-N 2.95Å; N235-S238 WeakPolarHBondContact CA-O 3.29Å; N235-S238 PolarHBondContact N-O 3.37Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 VanDerWaalsContact O-O 3.14Å | ||
| 236 | S | 73.9 | Confident | 87.4 | Confident | 117 Ų | 117 | 55.3 Ų | 55.3 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -55.9 | -21.8 | -176.5 | -46.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 237 | Y | 71.7 | Confident | 87.3 | Confident | 199 Ų | 199 | 56.4 Ų | 56.4 | 78% | 0.78 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -123.7 | -14.8 | -175.7 | -61.7 | -73.3 | 0 | 0 | 0 | 114.8 | N235 G267 | N235-Y237 PolarHBondContact O-N 2.95Å; Y237-G267 PolarHBondContact O-N 3.44Å |
| 238 | S | 81.3 | Confident | 87.2 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145.1 | -171.6 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | N235 K265 | N235-S238 WeakPolarHBondContact CA-O 3.29Å; N235-S238 PolarHBondContact N-O 3.37Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 VanDerWaalsContact O-O 3.14Å; S238-K265 WeakPolarHBondContact CA-O 3.22Å |
| 239 | A | 84.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V203 L232 T233 F264 K265 | V203-A239 HydrophobicContact CB-CB 4.3Å; V203-A239 HydrophobicContact CG1-CB 3.96Å; V203-A239 HydrophobicContact CG2-CB 4.03Å; L232-A239 HydrophobicContact CD1-CB 4.19Å; T233-A239 CarbonylContact O-C 3.57Å; T233-A239 WeakPolarHBondContact O-CA 3.46Å; A239-F264 CarbonylContact O-C 3.59Å; A239-F264 WeakPolarHBondContact O-CA 3.35Å; A239-K265 HydrophobicContact CB-CB 4.18Å; A239-K265 PolarHBondContact N-O 3.28Å; A239-K265 VanDerWaalsContact N-O 3.09Å; A239-K265 PolarHBondContact O-N 2.76Å |
| 240 | T | 89.7 | Confident | 86.4 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.8 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 109.8 | L232 T233 G263 F264 | L232-T240 CarbonylContact C-O 3.57Å; L232-T240 WeakPolarHBondContact CA-O 3.5Å; T233-T240 WeakPolarHBondContact CB-OG1 3.46Å; T233-T240 PolarHBondContact N-O 2.92Å; T233-T240 PolarHBondContact O-N 2.9Å; T240-G263 VanDerWaalsContact CA-O 3.29Å; T240-G263 WeakPolarHBondContact CA-O 3.38Å; T240-F264 HydrophobicContact CG2-CD1 3.35Å; T240-F264 HydrophobicContact CG2-CE1 3.72Å; T240-F264 HydrophobicContact CG2-CG 4.43Å |
| 241 | F | 91.4 | Very high | 86 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 156.8 | 179.5 | 61 | -83.9 | 0 | 0 | 0 | 110.4 | M207 F229 G230 L232 I243 Y262 G263 F272 | M207-F241 HydrophobicContact CE-CB 3.99Å; M207-F241 HydrophobicContact CE-CD1 4.4Å; M207-F241 HydrophobicContact CE-CD2 4.27Å; M207-F241 HydrophobicContact CE-CG 3.98Å; M207-F241 HydrophobicContact SD-CB 4.06Å; F229-F241 HydrophobicContact CB-CD2 4.17Å; F229-F241 HydrophobicContact CD1-CD2 4.39Å; F229-F241 HydrophobicContact CD1-CE2 4.13Å; F229-F241 HydrophobicContact CG-CD2 4.29Å; F229-F241 HydrophobicContact CG-CE2 4.17Å; G230-F241 WeakPolarHBondContact O-CA 3.48Å; G230-F241 WeakPolarHBondContact O-CB 3.46Å; L232-F241 HydrophobicContact CD1-CB 4.36Å; F241-I243 HydrophobicContact CD2-CD1 4.43Å; F241-I243 HydrophobicContact CD2-CG1 3.82Å; F241-I243 HydrophobicContact CE2-CD1 3.72Å; F241-I243 HydrophobicContact CE2-CG1 3.51Å; F241-I243 HydrophobicContact CZ-CD1 4.41Å; F241-Y262 CarbonylContact O-C 3.52Å; F241-Y262 VanDerWaalsContact O-CA 3.28Å; F241-Y262 WeakPolarHBondContact O-CA 3.2Å; F241-G263 PolarHBondContact N-O 3.36Å; F241-G263 PolarHBondContact O-N 3.09Å; F241-F272 AromaticContact CE1-CD1 3.61Å; F241-F272 HydrophobicContact CE1-CD1 3.61Å; F241-F272 AromaticContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CG 4.49Å; F241-F272 HydrophobicContact CZ-CD1 4.13Å; F241-F272 HydrophobicContact CZ-CE1 4.47Å |
| 242 | T | 91.6 | Very high | 85.8 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 147.5 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | F229 G230 A231 | F229-T242 WeakPolarHBondContact CA-O 3.37Å; G230-T242 PolarHBondContact N-O 2.83Å; G230-T242 PolarHBondContact O-N 3.45Å; G230-T242 PolarHBondContact O-OG1 2.79Å; G230-T242 VanDerWaalsContact O-OG1 3.11Å; A231-T242 HydrophobicContact CB-CG2 3.86Å; A231-T242 WeakPolarHBondContact CB-OG1 3.21Å |
| 243 | I | 91.6 | Very high | 85.6 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.2 | 178.7 | -58.4 | 164.7 | 0 | 0 | 0 | 107.7 | F229 F241 L260 G261 I274 | F229-I243 HydrophobicContact CD1-CB 4.25Å; F229-I243 HydrophobicContact CD1-CG1 3.76Å; F229-I243 HydrophobicContact CD1-CG2 4.02Å; F229-I243 HydrophobicContact CE1-CB 4.36Å; F229-I243 HydrophobicContact CE1-CD1 4.4Å; F229-I243 HydrophobicContact CE1-CG1 3.88Å; F229-I243 HydrophobicContact CE1-CG2 3.77Å; F241-I243 HydrophobicContact CD2-CD1 4.43Å; F241-I243 HydrophobicContact CD2-CG1 3.82Å; F241-I243 HydrophobicContact CE2-CD1 3.72Å; F241-I243 HydrophobicContact CE2-CG1 3.51Å; F241-I243 HydrophobicContact CZ-CD1 4.41Å; I243-L260 CarbonylContact O-C 3.57Å; I243-L260 WeakPolarHBondContact O-CA 3.35Å; I243-G261 PolarHBondContact N-O 3.05Å; I243-G261 PolarHBondContact O-N 2.85Å; I243-I274 HydrophobicContact CD1-CB 4.48Å; I243-I274 HydrophobicContact CD1-CD1 4.06Å; I243-I274 HydrophobicContact CD1-CG1 4.23Å; I243-I274 HydrophobicContact CD1-CG2 3.55Å |
| 244 | L | 90.6 | Very high | 85.4 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.7 | 166.5 | 172.1 | 62.6 | 0 | 0 | 0 | 108 | S227 H228 F246 F258 L260 | S227-L244 CarbonylContact C-O 3.45Å; S227-L244 WeakPolarHBondContact CA-O 3.44Å; H228-L244 HydrophobicContact CB-CB 4.48Å; H228-L244 PolarHBondContact N-O 2.74Å; H228-L244 PolarHBondContact O-N 3.33Å; L244-F246 HydrophobicContact CD1-CE2 3.9Å; L244-F246 HydrophobicContact CD1-CZ 3.86Å; L244-F246 HydrophobicContact CD2-CE2 3.53Å; L244-F246 HydrophobicContact CD2-CZ 3.81Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.49Å; L244-F246 VanDerWaalsContact CG-CE2 3.49Å; L244-F246 HydrophobicContact CG-CZ 3.92Å; L244-F258 HydrophobicContact CD1-CD2 4.45Å; L244-L260 HydrophobicContact CB-CD2 4.3Å; L244-L260 HydrophobicContact CD1-CD2 3.56Å; L244-L260 HydrophobicContact CD1-CG 4.42Å; L244-L260 HydrophobicContact CG-CD2 4.48Å |
| 245 | K | 90.3 | Very high | 85.6 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.9 | -176.3 | -175.8 | -175.7 | -178.9 | -171.3 | 0 | 110.1 | E222 S225 V226 Y247 F258 A259 | E222-K245 IonicContact OE1-NZ 2.54Å; E222-K245 PolarHBondContact OE1-NZ 3.23Å; E222-K245 WeakPolarHBondContact OE2-CE 3.46Å; E222-K245 IonicContact OE2-NZ 2.87Å; E222-K245 PolarHBondContact OE2-NZ 3.3Å; S225-K245 WeakPolarHBondContact OG-CE 3.38Å; V226-K245 CarbonylContact O-C 3.52Å; V226-K245 WeakPolarHBondContact O-CA 3.35Å; K245-Y247 HydrophobicContact CD-CD1 4.37Å; K245-Y247 HydrophobicContact CG-CD1 4.25Å; K245-F258 CarbonylContact O-C 3.6Å; K245-F258 WeakPolarHBondContact O-CA 3.42Å; K245-A259 HydrophobicContact CB-CB 4.44Å; K245-A259 PolarHBondContact N-O 2.7Å; K245-A259 PolarHBondContact O-N 3.14Å |
| 246 | F | 89.6 | Confident | 86 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.8 | 170.2 | -66.3 | -83.2 | 0 | 0 | 0 | 109.3 | S225 V226 L244 R257 F258 F364 | S225-F246 CarbonylContact C-O 3.56Å; S225-F246 WeakPolarHBondContact CA-O 3.22Å; V226-F246 PolarHBondContact N-O 3.49Å; V226-F246 PolarHBondContact O-N 3.13Å; L244-F246 HydrophobicContact CD1-CE2 3.9Å; L244-F246 HydrophobicContact CD1-CZ 3.86Å; L244-F246 HydrophobicContact CD2-CE2 3.53Å; L244-F246 HydrophobicContact CD2-CZ 3.81Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.49Å; L244-F246 VanDerWaalsContact CG-CE2 3.49Å; L244-F246 HydrophobicContact CG-CZ 3.92Å; F246-R257 WeakPolarHBondContact CA-O 3.34Å; F246-F258 HydrophobicContact CD1-CB 3.66Å; F246-F258 HydrophobicContact CE1-CB 3.62Å; F246-F258 HydrophobicContact CE1-CG 4.4Å; F246-F258 HydrophobicContact CG-CB 4.49Å; F246-F258 HydrophobicContact CZ-CB 4.44Å; F246-F364 HydrophobicContact CD1-CE2 4.2Å; F246-F364 HydrophobicContact CD1-CZ 4.05Å; F246-F364 HydrophobicContact CD2-CD1 4.14Å; F246-F364 AromaticContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE2 4.42Å; F246-F364 AromaticContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CE1-CE1 4.19Å; F246-F364 HydrophobicContact CE1-CE2 4.08Å; F246-F364 AromaticContact CE1-CZ 3.53Å; F246-F364 HydrophobicContact CE1-CZ 3.53Å; F246-F364 AromaticContact CE2-CD1 3.88Å; F246-F364 HydrophobicContact CE2-CD1 3.88Å; F246-F364 AromaticContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE2 4.28Å; F246-F364 AromaticContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CE2-CZ 3.42Å; F246-F364 VanDerWaalsContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CG-CE2 4.38Å; F246-F364 HydrophobicContact CG-CZ 4.26Å; F246-F364 HydrophobicContact CZ-CD1 4.47Å; F246-F364 AromaticContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE1 3.41Å; F246-F364 VanDerWaalsContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE2 4.12Å; F246-F364 AromaticContact CZ-CZ 3.18Å; F246-F364 HydrophobicContact CZ-CZ 3.18Å |
| 247 | Y | 89.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 167.5 | 179.7 | 63.1 | -84.9 | 0 | 0 | 0 | 110.6 | E222 K245 R257 A259 | E222-Y247 HydrophobicContact CB-CD2 3.84Å; E222-Y247 HydrophobicContact CB-CG 4.22Å; E222-Y247 HydrophobicContact CG-CD2 3.41Å; E222-Y247 VanDerWaalsContact CG-CD2 3.41Å; E222-Y247 HydrophobicContact CG-CE2 3.74Å; E222-Y247 HydrophobicContact CG-CG 3.96Å; K245-Y247 HydrophobicContact CD-CD1 4.37Å; K245-Y247 HydrophobicContact CG-CD1 4.25Å; Y247-R257 HydrophobicContact CD1-CB 4.36Å; Y247-R257 HydrophobicContact CD2-CB 4.14Å; Y247-R257 HydrophobicContact CE1-CB 3.9Å; Y247-R257 HydrophobicContact CE2-CB 3.68Å; Y247-R257 HydrophobicContact CE2-CG 4.09Å; Y247-R257 HydrophobicContact CG-CB 4.48Å; Y247-R257 PolarHBondContact N-O 3.24Å; Y247-R257 PolarHBondContact O-N 3.17Å; Y247-A259 HydrophobicContact CE1-CB 4.13Å |
| 248 | R | 88.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.8 | 167.4 | -69.7 | -172.2 | 167.2 | 87.2 | 0.9 | 109.9 | E222 A223 N251 V252 G254 Q359 | E222-R248 WeakPolarHBondContact CA-O 3.29Å; A223-R248 HydrophobicContact CB-CB 4.47Å; A223-R248 PolarHBondContact N-O 2.75Å; A223-R248 PolarHBondContact O-N 2.78Å; R248-N251 VanDerWaalsContact CB-O 3.28Å; R248-N251 WeakPolarHBondContact CB-O 3.4Å; R248-V252 WeakPolarHBondContact CD-O 3.45Å; R248-V252 PolarHBondContact NE-O 3Å; R248-G254 WeakPolarHBondContact CD-O 3.4Å; R248-Q359 PolarHBondContact NH1-O 2.93Å; R248-Q359 PolarHBondContact NH2-O 3.06Å |
| 249 | E | 86 | Confident | 87.8 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.2 | -176.4 | -169.3 | 171.8 | -170.7 | 0 | 0 | 110.8 | N251 G254 P255 R257 | E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 3.13Å; E249-G254 WeakPolarHBondContact O-CA 3.17Å; E249-P255 HydrophobicContact CB-CG 4.26Å; E249-P255 PolarHBondContact N-O 2.87Å; E249-R257 HydrophobicContact CB-CG 4.08Å; E249-R257 IonicContact OE2-CZ 3.93Å; E249-R257 IonicContact OE2-NE 3.09Å; E249-R257 PolarHBondContact OE2-NE 2.99Å; E249-R257 IonicContact OE2-NH2 3.43Å; E249-R257 PolarHBondContact OE2-NH2 2.94Å; E249-R257 VanDerWaalsContact OE2-NH2 3.09Å |
| 250 | G | 83 | Confident | 88 | Confident | 49 Ų | 49 | 62 Ų | 62 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 81.6 | -57.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R221 | R221-G250 WeakPolarHBondContact O-CA 3.38Å; R221-G250 PolarHBondContact O-N 2.51Å |
| 251 | N | 83.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -151.1 | 179.1 | -176.9 | 66.8 | 47.8 | 0 | 0 | 0 | 112.5 | R248 E249 H253 G254 | R248-N251 VanDerWaalsContact CB-O 3.28Å; R248-N251 WeakPolarHBondContact CB-O 3.4Å; E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 3.13Å; N251-H253 PolarHBondContact O-N 2.79Å; N251-H253 VanDerWaalsContact OD1-CA 3.31Å; N251-H253 WeakPolarHBondContact OD1-CA 3.49Å; N251-H253 WeakPolarHBondContact OD1-CB 3.46Å; N251-H253 PolarHBondContact OD1-N 2.76Å; N251-G254 PolarHBondContact O-N 2.93Å; N251-G254 PolarHBondContact OD1-N 3.41Å |
| 252 | V | 84 | Confident | 87.8 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.6 | -177.6 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | A223 R248 E357 | A223-V252 HydrophobicContact CB-CG2 3.96Å; R248-V252 WeakPolarHBondContact CD-O 3.45Å; R248-V252 PolarHBondContact NE-O 3Å; V252-E357 HydrophobicContact CG1-CB 3.8Å; V252-E357 WeakPolarHBondContact CG1-O 3.28Å |
| 253 | H | 84.6 | Confident | 87.6 | Confident | 173 Ų | 173 | 61.9 Ų | 61.9 | 80% | 0.801 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.6 | 175.1 | -56.8 | -59.5 | 0 | 0 | 0 | 113.2 | N251 | N251-H253 PolarHBondContact O-N 2.79Å; N251-H253 VanDerWaalsContact OD1-CA 3.31Å; N251-H253 WeakPolarHBondContact OD1-CA 3.49Å; N251-H253 WeakPolarHBondContact OD1-CB 3.46Å; N251-H253 PolarHBondContact OD1-N 2.76Å |
| 254 | G | 84.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -63.5 | 161.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R248 E249 N251 | R248-G254 WeakPolarHBondContact CD-O 3.4Å; E249-G254 WeakPolarHBondContact O-CA 3.17Å; N251-G254 PolarHBondContact O-N 2.93Å; N251-G254 PolarHBondContact OD1-N 3.41Å |
| 255 | P | 87.5 | Confident | 87 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 138.7 | 175.5 | 27.1 | -33.7 | 0 | 0 | 0 | 109.9 | E249 R257 | E249-P255 HydrophobicContact CB-CG 4.26Å; E249-P255 PolarHBondContact N-O 2.87Å; P255-R257 PolarHBondContact O-N 3.31Å |
| 256 | P | 87.7 | Confident | 86.2 | Confident | 103 Ų | 103 | 68 Ų | 68 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135 | 174.4 | 28.9 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 257 | R | 89.7 | Confident | 85.2 | Confident | 122 Ų | 122 | 67 Ų | 67 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 160.7 | 176.2 | -61.8 | -61.2 | -167.5 | 177.8 | 3.1 | 109.5 | F246 Y247 E249 P255 | F246-R257 WeakPolarHBondContact CA-O 3.34Å; Y247-R257 HydrophobicContact CD1-CB 4.36Å; Y247-R257 HydrophobicContact CD2-CB 4.14Å; Y247-R257 HydrophobicContact CE1-CB 3.9Å; Y247-R257 HydrophobicContact CE2-CB 3.68Å; Y247-R257 HydrophobicContact CE2-CG 4.09Å; Y247-R257 HydrophobicContact CG-CB 4.48Å; Y247-R257 PolarHBondContact N-O 3.24Å; Y247-R257 PolarHBondContact O-N 3.17Å; E249-R257 HydrophobicContact CB-CG 4.08Å; E249-R257 IonicContact OE2-CZ 3.93Å; E249-R257 IonicContact OE2-NE 3.09Å; E249-R257 PolarHBondContact OE2-NE 2.99Å; E249-R257 IonicContact OE2-NH2 3.43Å; E249-R257 PolarHBondContact OE2-NH2 2.94Å; E249-R257 VanDerWaalsContact OE2-NH2 3.09Å; P255-R257 PolarHBondContact O-N 3.31Å |
| 258 | F | 88.5 | Confident | 84.2 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.7 | 168.2 | 71.8 | -86.3 | 0 | 0 | 0 | 110.2 | L244 K245 F246 L260 | L244-F258 HydrophobicContact CD1-CD2 4.45Å; K245-F258 CarbonylContact O-C 3.6Å; K245-F258 WeakPolarHBondContact O-CA 3.42Å; F246-F258 HydrophobicContact CD1-CB 3.66Å; F246-F258 HydrophobicContact CE1-CB 3.62Å; F246-F258 HydrophobicContact CE1-CG 4.4Å; F246-F258 HydrophobicContact CG-CB 4.49Å; F246-F258 HydrophobicContact CZ-CB 4.44Å; F258-L260 HydrophobicContact CD2-CG 4.5Å; F258-L260 HydrophobicContact CE2-CD1 4.5Å |
| 259 | A | 86.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | K245 Y247 N278 | K245-A259 HydrophobicContact CB-CB 4.44Å; K245-A259 PolarHBondContact N-O 2.7Å; K245-A259 PolarHBondContact O-N 3.14Å; Y247-A259 HydrophobicContact CE1-CB 4.13Å; A259-N278 HydrophobicContact CB-CB 4.41Å |
| 260 | L | 89.1 | Confident | 83.3 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.2 | 174.6 | -71.5 | 170.6 | 0 | 0 | 0 | 108.6 | I243 L244 F258 N276 S277 | I243-L260 CarbonylContact O-C 3.57Å; I243-L260 WeakPolarHBondContact O-CA 3.35Å; L244-L260 HydrophobicContact CB-CD2 4.3Å; L244-L260 HydrophobicContact CD1-CD2 3.56Å; L244-L260 HydrophobicContact CD1-CG 4.42Å; L244-L260 HydrophobicContact CG-CD2 4.48Å; F258-L260 HydrophobicContact CD2-CG 4.5Å; F258-L260 HydrophobicContact CE2-CD1 4.5Å; L260-N276 PolarHBondContact O-OD1 3.25Å; L260-S277 PolarHBondContact N-OG 3.17Å; L260-S277 VanDerWaalsContact N-OG 3.09Å; L260-S277 VanDerWaalsContact O-CB 3.27Å; L260-S277 WeakPolarHBondContact O-CB 3.48Å; L260-S277 PolarHBondContact O-N 3.13Å; L260-S277 PolarHBondContact O-OG 2.94Å |
| 261 | G | 88.5 | Confident | 83.3 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 176.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | I243 H275 | I243-G261 PolarHBondContact N-O 3.05Å; I243-G261 PolarHBondContact O-N 2.85Å; G261-H275 CarbonylContact C-O 3.56Å; G261-H275 WeakPolarHBondContact CA-O 3.42Å |
| 262 | Y | 88.8 | Confident | 83.4 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 143.5 | 175 | 58.5 | -77.6 | 0 | 0 | 0 | 109.6 | F241 F264 H275 | F241-Y262 CarbonylContact O-C 3.52Å; F241-Y262 VanDerWaalsContact O-CA 3.28Å; F241-Y262 WeakPolarHBondContact O-CA 3.2Å; Y262-F264 HydrophobicContact CD2-CD2 4.14Å; Y262-F264 HydrophobicContact CD2-CE1 4.39Å; Y262-F264 AromaticContact CD2-CE2 3.16Å; Y262-F264 HydrophobicContact CD2-CE2 3.16Å; Y262-F264 AromaticContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CE2-CD2 4.33Å; Y262-F264 AromaticContact CE2-CE2 3.13Å; Y262-F264 HydrophobicContact CE2-CE2 3.13Å; Y262-F264 AromaticContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CG-CE2 4.48Å; Y262-H275 HydrophobicContact CD1-CB 3.86Å; Y262-H275 HydrophobicContact CD2-CB 4.34Å; Y262-H275 HydrophobicContact CE1-CB 3.4Å; Y262-H275 HydrophobicContact CE2-CB 3.98Å; Y262-H275 AromaticContact CE2-CD2 3.58Å; Y262-H275 AromaticContact CE2-CG 3.83Å; Y262-H275 HydrophobicContact CG-CB 4.28Å; Y262-H275 VanDerWaalsContact CZ-CB 3.44Å; Y262-H275 AromaticContact CZ-CD2 3.79Å; Y262-H275 AromaticContact CZ-CG 3.52Å; Y262-H275 PolarHBondContact N-O 3.39Å; Y262-H275 PolarHBondContact O-N 3.13Å |
| 263 | G | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T240 F241 T273 | T240-G263 VanDerWaalsContact CA-O 3.29Å; T240-G263 WeakPolarHBondContact CA-O 3.38Å; F241-G263 PolarHBondContact N-O 3.36Å; F241-G263 PolarHBondContact O-N 3.09Å; G263-T273 CarbonylContact C-O 3.6Å; G263-T273 WeakPolarHBondContact CA-O 3.33Å |
| 264 | F | 85.8 | Confident | 83.6 | Confident | 74 Ų | 74 | 58 Ų | 58 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.2 | 171.9 | -55.4 | -90.7 | 0 | 0 | 0 | 110.9 | A239 T240 Y262 F272 T273 H275 | A239-F264 CarbonylContact O-C 3.59Å; A239-F264 WeakPolarHBondContact O-CA 3.35Å; T240-F264 HydrophobicContact CG2-CD1 3.35Å; T240-F264 HydrophobicContact CG2-CE1 3.72Å; T240-F264 HydrophobicContact CG2-CG 4.43Å; Y262-F264 HydrophobicContact CD2-CD2 4.14Å; Y262-F264 HydrophobicContact CD2-CE1 4.39Å; Y262-F264 AromaticContact CD2-CE2 3.16Å; Y262-F264 HydrophobicContact CD2-CE2 3.16Å; Y262-F264 AromaticContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CE2-CD2 4.33Å; Y262-F264 AromaticContact CE2-CE2 3.13Å; Y262-F264 HydrophobicContact CE2-CE2 3.13Å; Y262-F264 AromaticContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CG-CE2 4.48Å; F264-F272 CarbonylContact O-C 3.55Å; F264-F272 WeakPolarHBondContact O-CA 3.46Å; F264-T273 PolarHBondContact N-O 2.87Å; F264-T273 PolarHBondContact O-N 3.09Å; F264-H275 AromaticContact CE2-CD2 3.74Å; F264-H275 AromaticContact CE2-NE2 3.92Å |
| 265 | K | 84.4 | Confident | 83.6 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131 | 167.1 | -170 | 179.2 | -177.5 | -76 | 0 | 109.1 | V203 S238 A239 G267 K268 N269 F272 | V203-K265 HydrophobicContact CG2-CD 3.42Å; V203-K265 VanDerWaalsContact CG2-CD 3.42Å; S238-K265 WeakPolarHBondContact CA-O 3.22Å; A239-K265 HydrophobicContact CB-CB 4.18Å; A239-K265 PolarHBondContact N-O 3.28Å; A239-K265 VanDerWaalsContact N-O 3.09Å; A239-K265 PolarHBondContact O-N 2.76Å; K265-G267 PolarHBondContact NZ-O 3.01Å; K265-K268 PolarHBondContact NZ-O 3.42Å; K265-N269 WeakPolarHBondContact CE-O 3.22Å; K265-N269 PolarHBondContact NZ-O 2.82Å; K265-F272 HydrophobicContact CB-CD1 3.64Å; K265-F272 HydrophobicContact CB-CE1 3.67Å; K265-F272 HydrophobicContact CD-CD1 4.37Å; K265-F272 HydrophobicContact CD-CE1 3.67Å; K265-F272 HydrophobicContact CD-CZ 3.99Å; K265-F272 HydrophobicContact CG-CD1 4.12Å; K265-F272 HydrophobicContact CG-CE1 3.93Å |
| 266 | I | 71.7 | Confident | 83.3 | Confident | 120 Ų | 120 | 57.9 Ų | 57.9 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.4 | 171.7 | -58.6 | 176 | 0 | 0 | 0 | 108.4 | ||
| 267 | G | 69.4 | Low | 82.9 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 86.8 | -169.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y237 K265 | Y237-G267 PolarHBondContact O-N 3.44Å; K265-G267 PolarHBondContact NZ-O 3.01Å |
| 268 | K | 67.7 | Low | 82.2 | Confident | 154 Ų | 154 | 54.9 Ų | 54.9 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -83.4 | -28 | -170.5 | -68 | -174.1 | 179 | 179.6 | 0 | 113 | K265 | K265-K268 PolarHBondContact NZ-O 3.42Š|
| 269 | N | 76 | Confident | 81.5 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -75.5 | 158.7 | -174.4 | -66.2 | 17.2 | 0 | 0 | 0 | 112.5 | E192 A198 K265 T271 | E192-N269 WeakPolarHBondContact CG-ND2 3.22Å; A198-N269 HydrophobicContact CB-CB 4.04Å; K265-N269 WeakPolarHBondContact CE-O 3.22Å; K265-N269 PolarHBondContact NZ-O 2.82Å; N269-T271 PolarHBondContact O-N 2.89Å |
| 270 | G | 79.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -74.1 | 30 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A199 F272 V287 | A199-G270 WeakPolarHBondContact O-CA 3.07Å; A199-G270 PolarHBondContact O-N 3.07Å; G270-F272 WeakPolarHBondContact O-CD2 3.47Å; G270-V287 PolarHBondContact O-N 2.79Å |
| 271 | T | 84.1 | Confident | 80 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.8 | -179.5 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | N269 F285 T286 | N269-T271 PolarHBondContact O-N 2.89Å; T271-F285 CarbonylContact C-O 3.6Å; T271-F285 WeakPolarHBondContact CA-O 3.37Å; T271-T286 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T286 PolarHBondContact OG1-OG1 3.43Å |
| 272 | F | 86.6 | Confident | 79.5 | Confident | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143 | -179.6 | -58 | -88.5 | 0 | 0 | 0 | 109.4 | I201 V203 F241 F264 K265 G270 I274 P284 F285 V287 | I201-F272 HydrophobicContact CD1-CE2 3.48Å; I201-F272 VanDerWaalsContact CD1-CE2 3.48Å; I201-F272 HydrophobicContact CD1-CZ 3.87Å; V203-F272 HydrophobicContact CG1-CE1 4.46Å; V203-F272 HydrophobicContact CG2-CE1 4.5Å; F241-F272 AromaticContact CE1-CD1 3.61Å; F241-F272 HydrophobicContact CE1-CD1 3.61Å; F241-F272 AromaticContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CG 4.49Å; F241-F272 HydrophobicContact CZ-CD1 4.13Å; F241-F272 HydrophobicContact CZ-CE1 4.47Å; F264-F272 CarbonylContact O-C 3.55Å; F264-F272 WeakPolarHBondContact O-CA 3.46Å; K265-F272 HydrophobicContact CB-CD1 3.64Å; K265-F272 HydrophobicContact CB-CE1 3.67Å; K265-F272 HydrophobicContact CD-CD1 4.37Å; K265-F272 HydrophobicContact CD-CE1 3.67Å; K265-F272 HydrophobicContact CD-CZ 3.99Å; K265-F272 HydrophobicContact CG-CD1 4.12Å; K265-F272 HydrophobicContact CG-CE1 3.93Å; G270-F272 WeakPolarHBondContact O-CD2 3.47Å; F272-I274 HydrophobicContact CB-CG1 4.38Å; F272-P284 CarbonylContact O-C 3.43Å; F272-P284 WeakPolarHBondContact O-CA 3.41Å; F272-F285 PolarHBondContact N-O 2.91Å; F272-F285 PolarHBondContact O-N 3.06Å; F272-V287 HydrophobicContact CD2-CG2 4.29Å; F272-V287 HydrophobicContact CE2-CG2 3.84Å |
| 273 | T | 86.4 | Confident | 78.9 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.4 | 165 | -57.3 | 0 | 0 | 0 | 0 | 107.5 | G263 F264 A282 | G263-T273 CarbonylContact C-O 3.6Å; G263-T273 WeakPolarHBondContact CA-O 3.33Å; F264-T273 PolarHBondContact N-O 2.87Å; F264-T273 PolarHBondContact O-N 3.09Å; T273-A282 HydrophobicContact CG2-CB 3.84Å |
| 274 | I | 85.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.6 | -177.4 | -61 | -175.5 | 0 | 0 | 0 | 109.5 | I243 F272 A282 E283 F285 | I243-I274 HydrophobicContact CD1-CB 4.48Å; I243-I274 HydrophobicContact CD1-CD1 4.06Å; I243-I274 HydrophobicContact CD1-CG1 4.23Å; I243-I274 HydrophobicContact CD1-CG2 3.55Å; F272-I274 HydrophobicContact CB-CG1 4.38Å; I274-A282 WeakPolarHBondContact O-CA 3.41Å; I274-E283 PolarHBondContact N-O 3.44Å; I274-E283 PolarHBondContact O-N 3.3Å; I274-F285 HydrophobicContact CB-CD2 4.06Å; I274-F285 HydrophobicContact CB-CE2 4.44Å; I274-F285 HydrophobicContact CD1-CB 4.36Å; I274-F285 HydrophobicContact CD1-CD2 3.65Å; I274-F285 HydrophobicContact CD1-CE2 4.38Å; I274-F285 HydrophobicContact CD1-CG 4.34Å; I274-F285 HydrophobicContact CG1-CD2 3.98Å |
| 275 | H | 85.4 | Confident | 78.7 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.3 | 168.9 | -62.3 | -97 | 0 | 0 | 0 | 108.2 | G261 Y262 F264 A282 | G261-H275 CarbonylContact C-O 3.56Å; G261-H275 WeakPolarHBondContact CA-O 3.42Å; Y262-H275 HydrophobicContact CD1-CB 3.86Å; Y262-H275 HydrophobicContact CD2-CB 4.34Å; Y262-H275 HydrophobicContact CE1-CB 3.4Å; Y262-H275 HydrophobicContact CE2-CB 3.98Å; Y262-H275 AromaticContact CE2-CD2 3.58Å; Y262-H275 AromaticContact CE2-CG 3.83Å; Y262-H275 HydrophobicContact CG-CB 4.28Å; Y262-H275 VanDerWaalsContact CZ-CB 3.44Å; Y262-H275 AromaticContact CZ-CD2 3.79Å; Y262-H275 AromaticContact CZ-CG 3.52Å; Y262-H275 PolarHBondContact N-O 3.39Å; Y262-H275 PolarHBondContact O-N 3.13Å; F264-H275 AromaticContact CE2-CD2 3.74Å; F264-H275 AromaticContact CE2-NE2 3.92Å; H275-A282 WeakPolarHBondContact CE1-CB 3.33Å |
| 276 | N | 81.2 | Confident | 78.8 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.4 | -175.4 | -150.3 | 32.2 | 0 | 0 | 0 | 110.1 | L260 N278 S279 | L260-N276 PolarHBondContact O-OD1 3.25Å; N276-N278 WeakPolarHBondContact CB-OD1 3.43Å; N276-N278 PolarHBondContact ND2-OD1 3Å; N276-N278 PolarHBondContact O-N 3.21Å; N276-S279 PolarHBondContact O-N 3.02Å |
| 277 | S | 79.3 | Confident | 79.7 | Confident | 86 Ų | 86 | 45 Ų | 45 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.5 | -173.4 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | L260 | L260-S277 PolarHBondContact N-OG 3.17Å; L260-S277 VanDerWaalsContact N-OG 3.09Å; L260-S277 VanDerWaalsContact O-CB 3.27Å; L260-S277 WeakPolarHBondContact O-CB 3.48Å; L260-S277 PolarHBondContact O-N 3.13Å; L260-S277 PolarHBondContact O-OG 2.94Å |
| 278 | N | 75.9 | Confident | 80.7 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.4 | 178.3 | 67.8 | -13.3 | 0 | 0 | 0 | 113.5 | A259 N276 | A259-N278 HydrophobicContact CB-CB 4.41Å; N276-N278 WeakPolarHBondContact CB-OD1 3.43Å; N276-N278 PolarHBondContact ND2-OD1 3Å; N276-N278 PolarHBondContact O-N 3.21Å |
| 279 | S | 72 | Confident | 81.8 | Confident | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 128.4 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | N276 D281 | N276-S279 PolarHBondContact O-N 3.02Å; S279-D281 PolarHBondContact O-N 3.11Å; S279-D281 PolarHBondContact OG-N 2.92Å |
| 280 | P | 70.5 | Confident | 82.7 | Confident | 120 Ų | 120 | 38.7 Ų | 38.7 | 78% | 0.779 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -18.4 | 175.6 | 29.4 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 281 | D | 74.1 | Confident | 83.4 | Confident | 49 Ų | 49 | 39.1 Ų | 39.1 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.3 | -170.3 | -60.9 | -55.3 | 0 | 0 | 0 | 112.4 | Y153 S279 | Y153-D281 HydrophobicContact CE1-CB 4.04Å; Y153-D281 HydrophobicContact CE2-CB 4.31Å; Y153-D281 VanDerWaalsContact CE2-CG 3.4Å; Y153-D281 WeakPolarHBondContact CE2-OD1 3.34Å; Y153-D281 WeakPolarHBondContact CE2-OD2 3.13Å; Y153-D281 PolarHBondContact OH-OD2 3.49Å; S279-D281 PolarHBondContact O-N 3.11Å; S279-D281 PolarHBondContact OG-N 2.92Å |
| 282 | A | 78.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T273 I274 H275 | T273-A282 HydrophobicContact CG2-CB 3.84Å; I274-A282 WeakPolarHBondContact O-CA 3.41Å; H275-A282 WeakPolarHBondContact CE1-CB 3.33Å |
| 283 | E | 77.5 | Confident | 84.2 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.2 | -174.2 | -68.7 | 177.2 | -168.8 | 0 | 0 | 111 | I274 F285 | I274-E283 PolarHBondContact N-O 3.44Å; I274-E283 PolarHBondContact O-N 3.3Å; E283-F285 HydrophobicContact CB-CD2 4.12Å; E283-F285 HydrophobicContact CB-CE2 3.52Å; E283-F285 HydrophobicContact CB-CZ 4.08Å; E283-F285 PolarHBondContact O-N 3.35Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.37Å |
| 284 | P | 82.2 | Confident | 84.3 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121.9 | 173.7 | 30.6 | -31.5 | 0 | 0 | 0 | 110.7 | I154 F272 | I154-P284 HydrophobicContact CD1-CG 3.38Å; F272-P284 CarbonylContact O-C 3.43Å; F272-P284 WeakPolarHBondContact O-CA 3.41Å |
| 285 | F | 85.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.8 | 175.6 | -74.5 | -68.4 | 0 | 0 | 0 | 110.8 | T271 F272 I274 E283 V304 F313 | T271-F285 CarbonylContact C-O 3.6Å; T271-F285 WeakPolarHBondContact CA-O 3.37Å; F272-F285 PolarHBondContact N-O 2.91Å; F272-F285 PolarHBondContact O-N 3.06Å; I274-F285 HydrophobicContact CB-CD2 4.06Å; I274-F285 HydrophobicContact CB-CE2 4.44Å; I274-F285 HydrophobicContact CD1-CB 4.36Å; I274-F285 HydrophobicContact CD1-CD2 3.65Å; I274-F285 HydrophobicContact CD1-CE2 4.38Å; I274-F285 HydrophobicContact CD1-CG 4.34Å; I274-F285 HydrophobicContact CG1-CD2 3.98Å; E283-F285 HydrophobicContact CB-CD2 4.12Å; E283-F285 HydrophobicContact CB-CE2 3.52Å; E283-F285 HydrophobicContact CB-CZ 4.08Å; E283-F285 PolarHBondContact O-N 3.35Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.37Å; F285-V304 HydrophobicContact CB-CG1 3.66Å; F285-V304 HydrophobicContact CD1-CG1 3.75Å; F285-V304 HydrophobicContact CG-CG1 4Å; F285-F313 HydrophobicContact CE1-CD2 4.06Å; F285-F313 AromaticContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CZ-CE2 4.2Å |
| 286 | T | 87.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.1 | 175.9 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | T195 A198 T271 I288 V304 S305 | T195-T286 HydrophobicContact CG2-CG2 4.43Å; A198-T286 HydrophobicContact CB-CG2 3.54Å; T271-T286 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T286 PolarHBondContact OG1-OG1 3.43Å; T286-I288 HydrophobicContact CG2-CG2 4.3Å; T286-I288 PolarHBondContact O-N 3.03Å; T286-V304 WeakPolarHBondContact O-CA 3.16Å; T286-S305 CarbonylContact C-O 3.59Å; T286-S305 WeakPolarHBondContact CA-O 3.18Å; T286-S305 PolarHBondContact N-O 2.84Å; T286-S305 PolarHBondContact O-N 3.44Å |
| 287 | V | 90.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.9 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | A199 I201 G270 F272 L290 A302 V303 V304 | A199-V287 PolarHBondContact N-O 3.49Å; I201-V287 HydrophobicContact CD1-CB 3.52Å; I201-V287 HydrophobicContact CD1-CG1 4.22Å; I201-V287 HydrophobicContact CD1-CG2 3.46Å; I201-V287 VanDerWaalsContact CD1-CG2 3.46Å; I201-V287 HydrophobicContact CG1-CB 4.35Å; G270-V287 PolarHBondContact O-N 2.79Å; F272-V287 HydrophobicContact CD2-CG2 4.29Å; F272-V287 HydrophobicContact CE2-CG2 3.84Å; V287-L290 HydrophobicContact CG1-CD2 3.62Å; V287-L290 HydrophobicContact CG1-CG 4.08Å; V287-A302 HydrophobicContact CG1-CB 4.16Å; V287-V303 CarbonylContact C-O 3.42Å; V287-V303 WeakPolarHBondContact CA-O 3.37Å; V287-V303 WeakPolarHBondContact CG1-O 3.25Å; V287-V304 HydrophobicContact CG2-CG2 4.3Å |
| 288 | I | 89.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -21.1 | -173.9 | 60.1 | 171.5 | 0 | 0 | 0 | 112.7 | D197 T286 V303 F333 L334 Y339 | D197-I288 HydrophobicContact CB-CB 4.41Å; D197-I288 HydrophobicContact CB-CG2 4.32Å; D197-I288 WeakPolarHBondContact O-CA 3.36Å; T286-I288 HydrophobicContact CG2-CG2 4.3Å; T286-I288 PolarHBondContact O-N 3.03Å; I288-V303 HydrophobicContact CD1-CB 4.4Å; I288-V303 HydrophobicContact CD1-CG1 3.56Å; I288-V303 HydrophobicContact CG1-CB 3.83Å; I288-V303 HydrophobicContact CG1-CG1 3.52Å; I288-V303 WeakPolarHBondContact CG1-O 3.39Å; I288-V303 PolarHBondContact N-O 3.38Å; I288-F333 HydrophobicContact CD1-CE1 4.05Å; I288-F333 HydrophobicContact CG1-CE1 4.29Å; I288-L334 HydrophobicContact CD1-CD2 4.37Å; I288-Y339 HydrophobicContact CD1-CD1 4.06Å; I288-Y339 HydrophobicContact CD1-CD2 4.14Å; I288-Y339 HydrophobicContact CD1-CE1 3.51Å; I288-Y339 HydrophobicContact CD1-CE2 3.62Å; I288-Y339 HydrophobicContact CD1-CG 4.37Å |
| 289 | K | 91.6 | Very high | 87 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 142.2 | 176.3 | -177.9 | 173.5 | 164.7 | 87.6 | 0 | 110.2 | Y301 V303 E329 F333 | K289-Y301 HydrophobicContact CD-CE2 4.47Å; K289-Y301 WeakPolarHBondContact CE-OH 3.33Å; K289-Y301 HydrophobicContact CG-CE2 4.27Å; K289-V303 HydrophobicContact CB-CB 4.03Å; K289-V303 HydrophobicContact CB-CG2 3.94Å; K289-V303 HydrophobicContact CG-CG2 4.48Å; K289-V303 PolarHBondContact O-N 3.23Å; K289-E329 WeakPolarHBondContact CE-OE1 3.46Å; K289-E329 IonicContact NZ-OE1 2.84Å; K289-E329 PolarHBondContact NZ-OE1 3.33Å; K289-F333 HydrophobicContact CB-CD1 4.38Å; K289-F333 HydrophobicContact CB-CE1 3.83Å; K289-F333 HydrophobicContact CB-CE2 4.43Å; K289-F333 HydrophobicContact CB-CZ 3.86Å; K289-F333 HydrophobicContact CD-CB 4.15Å; K289-F333 HydrophobicContact CD-CD1 3.65Å; K289-F333 HydrophobicContact CD-CD2 3.62Å; K289-F333 HydrophobicContact CD-CE1 3.88Å; K289-F333 HydrophobicContact CD-CE2 3.84Å; K289-F333 HydrophobicContact CD-CG 3.51Å; K289-F333 HydrophobicContact CD-CZ 3.98Å; K289-F333 HydrophobicContact CG-CE1 4.5Å; K289-F333 HydrophobicContact CG-CZ 4.44Å |
| 290 | L | 93.7 | Very high | 88.1 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.4 | 175.4 | -66 | 166.4 | 0 | 0 | 0 | 109.2 | A199 I201 M206 V287 Y299 A302 | A199-L290 HydrophobicContact CB-CD1 3.96Å; A199-L290 HydrophobicContact CB-CG 4.09Å; I201-L290 HydrophobicContact CB-CD1 4.42Å; I201-L290 HydrophobicContact CG1-CD1 4Å; I201-L290 HydrophobicContact CG2-CD1 4.46Å; M206-L290 HydrophobicContact SD-CD2 4.11Å; V287-L290 HydrophobicContact CG1-CD2 3.62Å; V287-L290 HydrophobicContact CG1-CG 4.08Å; L290-Y299 HydrophobicContact CB-CD1 4.01Å; L290-Y299 HydrophobicContact CB-CE1 4.18Å; L290-Y299 HydrophobicContact CD1-CD1 4.25Å; L290-Y299 HydrophobicContact CD1-CE1 3.71Å; L290-Y299 HydrophobicContact CD1-CE2 4.19Å; L290-Y299 HydrophobicContact CD2-CD1 4.2Å; L290-Y299 HydrophobicContact CD2-CD2 4.04Å; L290-Y299 HydrophobicContact CD2-CE1 4.42Å; L290-Y299 HydrophobicContact CD2-CE2 4.25Å; L290-Y299 HydrophobicContact CD2-CG 4.01Å; L290-Y299 HydrophobicContact CG-CD1 4.39Å; L290-Y299 HydrophobicContact CG-CE1 4.32Å; L290-A302 HydrophobicContact CD2-CB 4.09Å |
| 291 | G | 93.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | trans | -77.1 | 176.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y301 | G291-Y301 VanDerWaalsContact CA-CD1 3.45Å; G291-Y301 VanDerWaalsContact CA-CZ 3.47Å; G291-Y301 PolarHBondContact N-O 3.33Å | ||
| 292 | P | 94.7 | Very high | 90.3 | Very high | 58 Ų | 58 | 45 Ų | 45 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | trans | -63.3 | 159.1 | 174.6 | 28.3 | -34 | 0 | 0 | 0 | 111.5 | D300 Y326 | P292-D300 HydrophobicContact CG-CB 4.4Å; P292-D300 PolarHBondContact O-N 3.4Å; P292-Y326 HydrophobicContact CG-CE1 4.12Å; P292-Y326 WeakPolarHBondContact CG-OH 3.46Å | ||
| 293 | I | 93 | Very high | 91 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 41% | 0.41 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -77 | 129.6 | 168.8 | -63.9 | -67.2 | 0 | 0 | 0 | 108.4 | Q298 Y299 | I293-Q298 CarbonylContact C-O 3.53Å; I293-Q298 WeakPolarHBondContact CA-O 3.35Å; I293-Y299 HydrophobicContact CD1-CD1 3.38Å; I293-Y299 HydrophobicContact CD1-CD2 4.46Å; I293-Y299 HydrophobicContact CD1-CE1 3.37Å; I293-Y299 HydrophobicContact CD1-CE2 4.46Å; I293-Y299 HydrophobicContact CD1-CG 3.96Å; I293-Y299 HydrophobicContact CG1-CD1 4.25Å; I293-Y299 HydrophobicContact CG1-CE1 4.16Å |
| 294 | N | 90.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -88.7 | -178.1 | 178.5 | 66.7 | 20.4 | 0 | 0 | 0 | 112.6 | F296 N297 Q298 D300 | N294-F296 PolarHBondContact O-N 3.22Å; N294-F296 WeakPolarHBondContact OD1-CA 3.33Å; N294-F296 WeakPolarHBondContact OD1-CB 3.29Å; N294-F296 PolarHBondContact OD1-N 2.95Å; N294-N297 PolarHBondContact O-N 3.25Å; N294-N297 PolarHBondContact OD1-N 3.16Å; N294-Q298 PolarHBondContact N-O 3.47Å; N294-Q298 PolarHBondContact OD1-N 3.44Å; N294-Q298 PolarHBondContact OD1-O 2.71Å; N294-Q298 VanDerWaalsContact OD1-O 3.13Å; N294-D300 VanDerWaalsContact CB-OD1 3.28Å; N294-D300 WeakPolarHBondContact CB-OD1 3.26Å; N294-D300 PolarHBondContact ND2-OD1 3.33Å | ||
| 295 | E | 90.7 | Very high | 91.8 | Very high | 170 Ų | 170 | 39.1 Ų | 39.1 | 79% | 0.794 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.4 | 179.4 | -62.7 | 159.5 | -148.8 | 0 | 0 | 113.4 | ||
| 296 | F | 90.5 | Very high | 91.6 | Very high | 142 Ų | 142 | 39.4 Ų | 39.4 | 62% | 0.623 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 15 | 179.2 | -54.5 | -73.1 | 0 | 0 | 0 | 113.4 | N294 Q298 | N294-F296 PolarHBondContact O-N 3.22Å; N294-F296 WeakPolarHBondContact OD1-CA 3.33Å; N294-F296 WeakPolarHBondContact OD1-CB 3.29Å; N294-F296 PolarHBondContact OD1-N 2.95Å; F296-Q298 HydrophobicContact CB-CG 4.49Å; F296-Q298 PolarHBondContact O-N 2.94Å |
| 297 | N | 93 | Very high | 90.9 | Very high | 122 Ų | 122 | 43 Ų | 43 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 58.6 | 25.9 | -175.4 | -68.8 | -35.7 | 0 | 0 | 0 | 114.5 | S205 N294 | S205-N297 WeakPolarHBondContact CB-O 3.31Å; S205-N297 PolarHBondContact OG-O 3.09Å; N294-N297 PolarHBondContact O-N 3.25Å; N294-N297 PolarHBondContact OD1-N 3.16Å |
| 298 | Q | 93.6 | Very high | 89.9 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -112.2 | 151.9 | 178.9 | -67 | 174 | 4.7 | 0 | 0 | 111.1 | I293 N294 F296 | I293-Q298 CarbonylContact C-O 3.53Å; I293-Q298 WeakPolarHBondContact CA-O 3.35Å; N294-Q298 PolarHBondContact N-O 3.47Å; N294-Q298 PolarHBondContact OD1-N 3.44Å; N294-Q298 PolarHBondContact OD1-O 2.71Å; N294-Q298 VanDerWaalsContact OD1-O 3.13Å; F296-Q298 HydrophobicContact CB-CG 4.49Å; F296-Q298 PolarHBondContact O-N 2.94Å |
| 299 | Y | 95 | Very high | 89.2 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 134.8 | 171 | -62.8 | -68.2 | 0 | 0 | 0 | 110.5 | I201 N202 S205 M206 W210 L290 I293 R317 | I201-Y299 HydrophobicContact CG2-CE2 3.82Å; N202-Y299 PolarHBondContact N-OH 3.36Å; N202-Y299 WeakPolarHBondContact O-CE2 3.48Å; S205-Y299 VanDerWaalsContact CB-CE2 3.47Å; S205-Y299 PolarHBondContact O-N 3.3Å; M206-Y299 HydrophobicContact CG-CD2 4.13Å; M206-Y299 HydrophobicContact CG-CE2 4.26Å; M206-Y299 HydrophobicContact SD-CD2 3.66Å; M206-Y299 HydrophobicContact SD-CE2 4.21Å; W210-Y299 WeakPolarHBondContact CH2-O 3.35Å; L290-Y299 HydrophobicContact CB-CD1 4.01Å; L290-Y299 HydrophobicContact CB-CE1 4.18Å; L290-Y299 HydrophobicContact CD1-CD1 4.25Å; L290-Y299 HydrophobicContact CD1-CE1 3.71Å; L290-Y299 HydrophobicContact CD1-CE2 4.19Å; L290-Y299 HydrophobicContact CD2-CD1 4.2Å; L290-Y299 HydrophobicContact CD2-CD2 4.04Å; L290-Y299 HydrophobicContact CD2-CE1 4.42Å; L290-Y299 HydrophobicContact CD2-CE2 4.25Å; L290-Y299 HydrophobicContact CD2-CG 4.01Å; L290-Y299 HydrophobicContact CG-CD1 4.39Å; L290-Y299 HydrophobicContact CG-CE1 4.32Å; I293-Y299 HydrophobicContact CD1-CD1 3.38Å; I293-Y299 HydrophobicContact CD1-CD2 4.46Å; I293-Y299 HydrophobicContact CD1-CE1 3.37Å; I293-Y299 HydrophobicContact CD1-CE2 4.46Å; I293-Y299 HydrophobicContact CD1-CG 3.96Å; I293-Y299 HydrophobicContact CG1-CD1 4.25Å; I293-Y299 HydrophobicContact CG1-CE1 4.16Å; Y299-R317 WeakPolarHBondContact O-CG 3.47Å; Y299-R317 PolarHBondContact O-NE 2.92Å |
| 300 | D | 94.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70.8 | -36.2 | 178.4 | -92.2 | -28 | 0 | 0 | 0 | 113.4 | P292 N294 A316 R317 R321 Y326 | P292-D300 HydrophobicContact CG-CB 4.4Å; P292-D300 PolarHBondContact O-N 3.4Å; N294-D300 VanDerWaalsContact CB-OD1 3.28Å; N294-D300 WeakPolarHBondContact CB-OD1 3.26Å; N294-D300 PolarHBondContact ND2-OD1 3.33Å; D300-A316 WeakPolarHBondContact O-CA 3.49Å; D300-R317 PolarHBondContact O-N 3.46Å; D300-R321 IonicContact OD1-CZ 3.17Å; D300-R321 IonicContact OD1-NH1 2.75Å; D300-R321 PolarHBondContact OD1-NH1 2.97Å; D300-R321 IonicContact OD2-CZ 3.15Å; D300-R321 IonicContact OD2-NE 2.89Å; D300-R321 IonicContact OD2-NH1 3.49Å; D300-R321 PolarHBondContact OD2-NH1 2.93Å; D300-R321 IonicContact OD2-NH2 3.92Å; D300-R321 PolarHBondContact OD2-NH2 3.45Å; D300-Y326 HydrophobicContact CB-CE2 4.09Å; D300-Y326 PolarHBondContact OD2-OH 3.14Å |
| 301 | Y | 95.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160.3 | 174.4 | 71 | -94.8 | 0 | 0 | 0 | 111.8 | K289 G291 V303 L315 F322 Y326 E329 V330 | K289-Y301 HydrophobicContact CD-CE2 4.47Å; K289-Y301 WeakPolarHBondContact CE-OH 3.33Å; K289-Y301 HydrophobicContact CG-CE2 4.27Å; G291-Y301 VanDerWaalsContact CA-CD1 3.45Å; G291-Y301 VanDerWaalsContact CA-CZ 3.47Å; G291-Y301 PolarHBondContact N-O 3.33Å; Y301-V303 HydrophobicContact CD2-CG2 4.25Å; Y301-V303 HydrophobicContact CE2-CG2 4.24Å; Y301-L315 CarbonylContact C-O 3.56Å; Y301-L315 WeakPolarHBondContact CA-O 3.47Å; Y301-L315 VanDerWaalsContact CB-O 3.32Å; Y301-L315 WeakPolarHBondContact CB-O 3.05Å; Y301-F322 HydrophobicContact CD1-CD2 4.19Å; Y301-F322 HydrophobicContact CD1-CE2 4.18Å; Y301-F322 HydrophobicContact CD2-CE2 4.11Å; Y301-F322 HydrophobicContact CG-CD2 4Å; Y301-F322 AromaticContact CG-CE2 3.76Å; Y301-F322 HydrophobicContact CG-CE2 3.76Å; Y301-Y326 HydrophobicContact CD1-CD1 4.16Å; Y301-Y326 AromaticContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CE2 4.3Å; Y301-Y326 AromaticContact CD1-CG 3.65Å; Y301-Y326 HydrophobicContact CD1-CG 3.65Å; Y301-Y326 AromaticContact CE1-CD1 3.57Å; Y301-Y326 HydrophobicContact CE1-CD1 3.57Å; Y301-Y326 AromaticContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CE1 4.17Å; Y301-Y326 AromaticContact CE1-CG 3.5Å; Y301-Y326 HydrophobicContact CE1-CG 3.5Å; Y301-Y326 VanDerWaalsContact CE1-CG 3.5Å; Y301-E329 PolarHBondContact OH-OE1 3.29Å; Y301-V330 HydrophobicContact CD2-CG2 4.03Å; Y301-V330 HydrophobicContact CE1-CG2 4.48Å; Y301-V330 HydrophobicContact CE2-CG2 3.49Å; Y301-V330 VanDerWaalsContact CE2-CG2 3.49Å |
| 302 | A | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M206 W210 V287 L290 V314 L315 | M206-A302 HydrophobicContact CE-CB 4.03Å; M206-A302 HydrophobicContact SD-CB 4.38Å; W210-A302 HydrophobicContact CH2-CB 4.27Å; W210-A302 HydrophobicContact CZ3-CB 4.48Å; V287-A302 HydrophobicContact CG1-CB 4.16Å; L290-A302 HydrophobicContact CD2-CB 4.09Å; A302-V314 WeakPolarHBondContact O-CA 3.36Å; A302-L315 PolarHBondContact N-O 2.91Å; A302-L315 PolarHBondContact O-N 3.33Å |
| 303 | V | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.6 | 173.3 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | V287 I288 K289 Y301 V312 V314 V330 L334 | V287-V303 CarbonylContact C-O 3.42Å; V287-V303 WeakPolarHBondContact CA-O 3.37Å; V287-V303 WeakPolarHBondContact CG1-O 3.25Å; I288-V303 HydrophobicContact CD1-CB 4.4Å; I288-V303 HydrophobicContact CD1-CG1 3.56Å; I288-V303 HydrophobicContact CG1-CB 3.83Å; I288-V303 HydrophobicContact CG1-CG1 3.52Å; I288-V303 WeakPolarHBondContact CG1-O 3.39Å; I288-V303 PolarHBondContact N-O 3.38Å; K289-V303 HydrophobicContact CB-CB 4.03Å; K289-V303 HydrophobicContact CB-CG2 3.94Å; K289-V303 HydrophobicContact CG-CG2 4.48Å; K289-V303 PolarHBondContact O-N 3.23Å; Y301-V303 HydrophobicContact CD2-CG2 4.25Å; Y301-V303 HydrophobicContact CE2-CG2 4.24Å; V303-V312 HydrophobicContact CG1-CG1 4.3Å; V303-V314 HydrophobicContact CB-CG2 4.4Å; V303-V314 HydrophobicContact CG1-CG2 4.07Å; V303-V314 HydrophobicContact CG2-CG1 4.25Å; V303-V314 HydrophobicContact CG2-CG2 4.04Å; V303-V330 HydrophobicContact CG2-CG1 3.85Å; V303-L334 HydrophobicContact CG1-CD2 3.87Å |
| 304 | V | 91.2 | Very high | 87.2 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.8 | -174.7 | -171 | 0 | 0 | 0 | 0 | 108.8 | F285 T286 V287 F313 L315 | F285-V304 HydrophobicContact CB-CG1 3.66Å; F285-V304 HydrophobicContact CD1-CG1 3.75Å; F285-V304 HydrophobicContact CG-CG1 4Å; T286-V304 WeakPolarHBondContact O-CA 3.16Å; V287-V304 HydrophobicContact CG2-CG2 4.3Å; V304-F313 PolarHBondContact N-O 3.1Å; V304-F313 PolarHBondContact O-N 3.07Å; V304-L315 HydrophobicContact CG2-CD1 4.31Å |
| 305 | S | 85.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 171.3 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | T286 K309 P311 Y339 | T286-S305 CarbonylContact C-O 3.59Å; T286-S305 WeakPolarHBondContact CA-O 3.18Å; T286-S305 PolarHBondContact N-O 2.84Å; T286-S305 PolarHBondContact O-N 3.44Å; S305-K309 WeakPolarHBondContact OG-CA 3.42Å; S305-P311 WeakPolarHBondContact CA-O 3.4Å; S305-P311 PolarHBondContact OG-O 3.31Å; S305-Y339 WeakPolarHBondContact OG-CE1 3.33Å |
| 306 | N | 79.3 | Confident | 87.6 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | trans | -97.6 | -179.2 | 164.8 | 66.7 | 11.7 | 0 | 0 | 0 | 111.6 | V308 K309 F310 | N306-V308 VanDerWaalsContact C-N 3.29Å; N306-V308 VanDerWaalsContact CG-CG2 3.46Å; N306-V308 VanDerWaalsContact ND2-CG2 3.28Å; N306-V308 WeakPolarHBondContact ND2-CG2 3.46Å; N306-V308 PolarHBondContact O-N 3.16Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.48Å; N306-V308 PolarHBondContact OD1-N 3.31Å; N306-K309 PolarHBondContact O-N 3.18Å; N306-K309 PolarHBondContact OD1-N 3.24Å; N306-K309 VanDerWaalsContact OD1-N 3.14Å; N306-F310 PolarHBondContact ND2-O 3.37Å; N306-F310 PolarHBondContact OD1-N 3.33Å; N306-F310 PolarHBondContact OD1-O 2.93Å | ||
| 307 | W | 72.4 | Confident | 87.7 | Confident | 80 Ų | 80 | 27.5 Ų | 27.5 | 30% | 0.303 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.5 | -179.5 | 61.7 | -90 | 0 | 0 | 0 | 114.7 | I154 L158 I194 T195 K309 | I154-W307 HydrophobicContact CB-CZ2 4.26Å; I154-W307 HydrophobicContact CG2-CH2 4.45Å; I154-W307 HydrophobicContact CG2-CZ2 3.35Å; L158-W307 HydrophobicContact CD1-CH2 3.27Å; L158-W307 HydrophobicContact CD1-CZ2 3.46Å; L158-W307 VanDerWaalsContact CD1-CZ2 3.46Å; L158-W307 HydrophobicContact CD1-CZ3 4.18Å; I194-W307 HydrophobicContact CG2-CB 3.42Å; I194-W307 VanDerWaalsContact CG2-CB 3.42Å; I194-W307 HydrophobicContact CG2-CD2 4.21Å; I194-W307 HydrophobicContact CG2-CE3 4.27Å; I194-W307 HydrophobicContact CG2-CG 3.9Å; T195-W307 HydrophobicContact CG2-CB 3.8Å; W307-K309 PolarHBondContact O-N 2.96Å |
| 308 | V | 70.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 25.4 Ų | 25.4 | 33% | 0.327 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.9 | 171.4 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | L158 N306 F310 | L158-V308 HydrophobicContact CD1-CG1 3.48Å; L158-V308 VanDerWaalsContact CD1-CG1 3.48Å; L158-V308 HydrophobicContact CD2-CG1 4.09Å; L158-V308 HydrophobicContact CG-CG1 4.45Å; N306-V308 VanDerWaalsContact C-N 3.29Å; N306-V308 VanDerWaalsContact CG-CG2 3.46Å; N306-V308 VanDerWaalsContact ND2-CG2 3.28Å; N306-V308 WeakPolarHBondContact ND2-CG2 3.46Å; N306-V308 PolarHBondContact O-N 3.16Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.48Å; N306-V308 PolarHBondContact OD1-N 3.31Å; V308-F310 WeakPolarHBondContact CG2-O 3.4Å; V308-F310 PolarHBondContact O-N 3.37Å |
| 309 | K | 75 | Confident | 87.5 | Confident | 64 Ų | 64 | 23.4 Ų | 23.4 | 28% | 0.278 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 64.1 | 17.2 | -180 | -57.4 | -167.5 | 170.3 | -173.3 | 0 | 115 | S305 N306 W307 V312 H337 Y339 | S305-K309 WeakPolarHBondContact OG-CA 3.42Å; N306-K309 PolarHBondContact O-N 3.18Å; N306-K309 PolarHBondContact OD1-N 3.24Å; N306-K309 VanDerWaalsContact OD1-N 3.14Å; W307-K309 PolarHBondContact O-N 2.96Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; K309-H337 PolarHBondContact NZ-O 2.97Å; K309-Y339 HydrophobicContact CB-CD1 3.48Å; K309-Y339 VanDerWaalsContact CB-CD1 3.48Å; K309-Y339 HydrophobicContact CB-CE1 3.55Å; K309-Y339 HydrophobicContact CB-CG 4.3Å; K309-Y339 HydrophobicContact CD-CD1 4.16Å; K309-Y339 HydrophobicContact CD-CD2 4.47Å; K309-Y339 HydrophobicContact CD-CE1 3.95Å; K309-Y339 HydrophobicContact CD-CE2 4.27Å; K309-Y339 HydrophobicContact CD-CG 4.39Å; K309-Y339 HydrophobicContact CG-CD1 3.89Å; K309-Y339 HydrophobicContact CG-CE1 3.49Å; K309-Y339 VanDerWaalsContact CG-CE1 3.49Å |
| 310 | F | 72.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 27 Ų | 27 | 25% | 0.254 | 13% | 0.131 | S | C | . | . | trans | -160.4 | 128.9 | 179.6 | -173.4 | -98.6 | 0 | 0 | 0 | 111.9 | V219 N306 V308 M349 | V219-F310 HydrophobicContact CG2-CD1 4.16Å; V219-F310 HydrophobicContact CG2-CE1 3.16Å; V219-F310 HydrophobicContact CG2-CE2 4.43Å; V219-F310 HydrophobicContact CG2-CZ 3.34Å; N306-F310 PolarHBondContact ND2-O 3.37Å; N306-F310 PolarHBondContact OD1-N 3.33Å; N306-F310 PolarHBondContact OD1-O 2.93Å; V308-F310 WeakPolarHBondContact CG2-O 3.4Å; V308-F310 PolarHBondContact O-N 3.37Å; F310-M349 HydrophobicContact CE1-CE 4.16Å; F310-M349 HydrophobicContact CE2-CB 4.1Å; F310-M349 HydrophobicContact CE2-CE 3.8Å; F310-M349 HydrophobicContact CZ-CE 3.57Å | ||
| 311 | P | 82.6 | Confident | 87 | Confident | 17 Ų | 17 | 29.9 Ų | 29.9 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | S | Bend | cis | -76.3 | 163.3 | 8 | 31.3 | -37.3 | 0 | 0 | 0 | 113.6 | V219 S305 F313 | V219-P311 HydrophobicContact CB-CB 4.27Å; V219-P311 HydrophobicContact CG1-CB 4.33Å; V219-P311 HydrophobicContact CG1-CG 4.24Å; V219-P311 HydrophobicContact CG2-CB 4.09Å; S305-P311 WeakPolarHBondContact CA-O 3.4Å; S305-P311 PolarHBondContact OG-O 3.31Å; P311-F313 HydrophobicContact CB-CE1 4.24Å; P311-F313 HydrophobicContact CB-CE2 3.69Å; P311-F313 HydrophobicContact CB-CZ 3.47Å; P311-F313 VanDerWaalsContact CB-CZ 3.47Å; P311-F313 HydrophobicContact CG-CE2 3.47Å; P311-F313 VanDerWaalsContact CG-CE2 3.47Å; P311-F313 HydrophobicContact CG-CZ 3.62Å |
| 312 | V | 86.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | S216 V303 K309 L334 Y339 I350 | S216-V312 PolarHBondContact OG-N 3.02Å; S216-V312 PolarHBondContact OG-O 3.34Å; V303-V312 HydrophobicContact CG1-CG1 4.3Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; V312-L334 HydrophobicContact CG1-CD1 4.13Å; V312-L334 HydrophobicContact CG1-CD2 3.77Å; V312-Y339 HydrophobicContact CG2-CD1 3.73Å; V312-Y339 HydrophobicContact CG2-CG 4.36Å; V312-I350 HydrophobicContact CB-CD1 3.94Å; V312-I350 HydrophobicContact CB-CG1 4.35Å; V312-I350 HydrophobicContact CG2-CD1 3.89Å |
| 313 | F | 90.1 | Very high | 86.6 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.1 | 175.4 | -53.5 | -66.5 | 0 | 0 | 0 | 109.7 | I214 I220 F285 V304 P311 | I214-F313 WeakPolarHBondContact O-CA 3.22Å; I220-F313 HydrophobicContact CD1-CE1 3.68Å; I220-F313 HydrophobicContact CD1-CE2 4.05Å; I220-F313 HydrophobicContact CD1-CZ 3.23Å; I220-F313 HydrophobicContact CG1-CE1 4.17Å; I220-F313 HydrophobicContact CG1-CZ 3.84Å; F285-F313 HydrophobicContact CE1-CD2 4.06Å; F285-F313 AromaticContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CZ-CE2 4.2Å; V304-F313 PolarHBondContact N-O 3.1Å; V304-F313 PolarHBondContact O-N 3.07Å; P311-F313 HydrophobicContact CB-CE1 4.24Å; P311-F313 HydrophobicContact CB-CE2 3.69Å; P311-F313 HydrophobicContact CB-CZ 3.47Å; P311-F313 VanDerWaalsContact CB-CZ 3.47Å; P311-F313 HydrophobicContact CG-CE2 3.47Å; P311-F313 VanDerWaalsContact CG-CE2 3.47Å; P311-F313 HydrophobicContact CG-CZ 3.62Å |
| 314 | V | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.6 | 168.7 | -173 | 0 | 0 | 0 | 0 | 108.6 | Q212 V213 I214 A302 V303 F322 V330 | Q212-V314 WeakPolarHBondContact CA-O 3.12Å; V213-V314 HydrophobicContact CG2-CB 3.92Å; V213-V314 HydrophobicContact CG2-CG1 3.74Å; V213-V314 VanDerWaalsContact CG2-O 3.29Å; V213-V314 WeakPolarHBondContact CG2-O 3.46Å; V213-V314 PolarHBondContact N-O 2.83Å; I214-V314 HydrophobicContact CB-CB 3.79Å; I214-V314 HydrophobicContact CB-CG2 3.78Å; I214-V314 HydrophobicContact CD1-CB 4.13Å; I214-V314 HydrophobicContact CD1-CG2 3.79Å; I214-V314 HydrophobicContact CG1-CB 4.2Å; I214-V314 HydrophobicContact CG1-CG2 4.23Å; I214-V314 HydrophobicContact CG2-CG2 4.35Å; I214-V314 PolarHBondContact N-O 3.37Å; I214-V314 PolarHBondContact O-N 2.87Å; A302-V314 WeakPolarHBondContact O-CA 3.36Å; V303-V314 HydrophobicContact CB-CG2 4.4Å; V303-V314 HydrophobicContact CG1-CG2 4.07Å; V303-V314 HydrophobicContact CG2-CG1 4.25Å; V303-V314 HydrophobicContact CG2-CG2 4.04Å; V314-F322 HydrophobicContact CB-CZ 4.48Å; V314-F322 HydrophobicContact CG1-CE1 4.43Å; V314-F322 HydrophobicContact CG1-CE2 3.7Å; V314-F322 HydrophobicContact CG1-CZ 3.56Å; V314-V330 HydrophobicContact CG1-CG1 4.38Å; V314-V330 HydrophobicContact CG2-CG1 3.95Å |
| 315 | L | 94.5 | Very high | 86.6 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.9 | 176.9 | -56.8 | -179.3 | 0 | 0 | 0 | 108.2 | W210 F211 Q212 F229 Y301 A302 V304 | W210-L315 HydrophobicContact CB-CB 4.23Å; W210-L315 HydrophobicContact CB-CD1 4.47Å; W210-L315 HydrophobicContact CD2-CB 4.07Å; W210-L315 HydrophobicContact CE3-CB 3.6Å; W210-L315 HydrophobicContact CG-CB 4.38Å; W210-L315 HydrophobicContact CG-CD1 4.48Å; W210-L315 HydrophobicContact CZ3-CB 4.25Å; F211-L315 CarbonylContact O-C 3.5Å; F211-L315 WeakPolarHBondContact O-CA 3.41Å; Q212-L315 HydrophobicContact CB-CD2 4.26Å; Q212-L315 HydrophobicContact CG-CD2 4.49Å; F229-L315 HydrophobicContact CE2-CD1 4.2Å; F229-L315 HydrophobicContact CZ-CD1 4.08Å; Y301-L315 CarbonylContact C-O 3.56Å; Y301-L315 WeakPolarHBondContact CA-O 3.47Å; Y301-L315 VanDerWaalsContact CB-O 3.32Å; Y301-L315 WeakPolarHBondContact CB-O 3.05Å; A302-L315 PolarHBondContact N-O 2.91Å; A302-L315 PolarHBondContact O-N 3.33Å; V304-L315 HydrophobicContact CG2-CD1 4.31Å |
| 316 | A | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F211 V213 D300 F322 | F211-A316 PolarHBondContact N-O 2.89Å; F211-A316 PolarHBondContact O-N 3.46Å; V213-A316 HydrophobicContact CB-CB 4.47Å; V213-A316 HydrophobicContact CG1-CB 3.72Å; V213-A316 HydrophobicContact CG2-CB 3.87Å; D300-A316 WeakPolarHBondContact O-CA 3.49Å; A316-F322 HydrophobicContact CB-CB 3.66Å; A316-F322 HydrophobicContact CB-CD2 3.88Å; A316-F322 HydrophobicContact CB-CG 3.82Å |
| 317 | R | 92.8 | Very high | 87.6 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -71.8 | -42.8 | 173.8 | -62.8 | -60.1 | -172.2 | 162 | 8.9 | 112.2 | S205 M206 M207 G208 R209 W210 F211 Y299 D300 | S205-R317 PolarHBondContact O-NH2 3.33Å; M206-R317 PolarHBondContact O-NH2 2.82Å; M207-R317 PolarHBondContact O-NH1 2.88Å; M207-R317 PolarHBondContact O-NH2 2.97Å; G208-R317 VanDerWaalsContact C-NH1 3.29Å; R209-R317 WeakPolarHBondContact O-CD 3.44Å; R209-R317 PolarHBondContact O-NH1 2.97Å; W210-R317 HydrophobicContact CE3-CG 4.33Å; W210-R317 HydrophobicContact CH2-CG 4.26Å; W210-R317 VanDerWaalsContact CZ2-NH2 3.34Å; W210-R317 HydrophobicContact CZ3-CG 3.98Å; F211-R317 VanDerWaalsContact CD2-O 3.24Å; F211-R317 WeakPolarHBondContact CD2-O 3.41Å; F211-R317 VanDerWaalsContact CE2-O 3.29Å; F211-R317 WeakPolarHBondContact CE2-O 3.32Å; Y299-R317 WeakPolarHBondContact O-CG 3.47Å; Y299-R317 PolarHBondContact O-NE 2.92Å; D300-R317 PolarHBondContact O-N 3.46Å |
| 318 | N | 91.5 | Very high | 88.4 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | trans | -127.2 | 110.9 | 177.2 | -176.4 | -33.1 | 0 | 0 | 0 | 108.9 | E320 R321 F322 | N318-E320 VanDerWaalsContact C-N 3.34Å; N318-E320 PolarHBondContact O-N 3.38Å; N318-E320 WeakPolarHBondContact OD1-CB 3.32Å; N318-E320 PolarHBondContact OD1-N 3.19Å; N318-R321 HydrophobicContact CB-CB 3.91Å; N318-R321 PolarHBondContact O-N 2.88Å; N318-R321 PolarHBondContact OD1-N 2.64Å; N318-R321 VanDerWaalsContact OD1-N 3.12Å; N318-F322 WeakPolarHBondContact O-CB 3.37Å; N318-F322 PolarHBondContact O-N 3.27Å | ||
| 319 | P | 90.6 | Very high | 89.5 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -33.7 | -176.4 | 22.6 | -28.2 | 0 | 0 | 0 | 112.7 | F211 V213 F322 Q323 Y355 | F211-P319 HydrophobicContact CB-CB 4.5Å; F211-P319 HydrophobicContact CB-CG 4.35Å; F211-P319 HydrophobicContact CD2-CG 4.4Å; F211-P319 HydrophobicContact CG-CG 4.21Å; V213-P319 HydrophobicContact CG1-CB 3.74Å; P319-F322 PolarHBondContact O-N 3.07Å; P319-Q323 WeakPolarHBondContact O-CB 3.17Å; P319-Q323 PolarHBondContact O-N 2.97Å; P319-Y355 HydrophobicContact CB-CD1 4.49Å; P319-Y355 HydrophobicContact CB-CD2 3.74Å; P319-Y355 HydrophobicContact CB-CE2 4.2Å; P319-Y355 HydrophobicContact CB-CG 3.9Å; P319-Y355 HydrophobicContact CG-CD1 3.94Å; P319-Y355 HydrophobicContact CG-CD2 3.35Å; P319-Y355 HydrophobicContact CG-CE1 3.93Å; P319-Y355 HydrophobicContact CG-CE2 3.31Å; P319-Y355 HydrophobicContact CG-CG 3.67Å |
| 320 | E | 89.3 | Confident | 90.4 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.7 | -62.5 | -169.2 | -171.8 | 0 | 0 | 111.7 | N318 F322 Q323 R324 | N318-E320 VanDerWaalsContact C-N 3.34Å; N318-E320 PolarHBondContact O-N 3.38Å; N318-E320 WeakPolarHBondContact OD1-CB 3.32Å; N318-E320 PolarHBondContact OD1-N 3.19Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.39Å; E320-Q323 PolarHBondContact O-N 2.94Å; E320-R324 WeakPolarHBondContact O-CG 3.36Å; E320-R324 PolarHBondContact O-N 3.17Å; E320-R324 VanDerWaalsContact O-N 3.09Å; E320-R324 IonicContact OE2-NH2 3.65Å; E320-R324 PolarHBondContact OE2-NH2 3.39Å; E320-R324 VanDerWaalsContact OE2-NH2 3.15Å |
| 321 | R | 89.7 | Confident | 91.2 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.8 | -170.5 | -177.4 | -173.6 | -165.5 | 1.4 | 110.5 | D300 N318 R324 W325 Y326 | D300-R321 IonicContact OD1-CZ 3.17Å; D300-R321 IonicContact OD1-NH1 2.75Å; D300-R321 PolarHBondContact OD1-NH1 2.97Å; D300-R321 IonicContact OD2-CZ 3.15Å; D300-R321 IonicContact OD2-NE 2.89Å; D300-R321 IonicContact OD2-NH1 3.49Å; D300-R321 PolarHBondContact OD2-NH1 2.93Å; D300-R321 IonicContact OD2-NH2 3.92Å; D300-R321 PolarHBondContact OD2-NH2 3.45Å; N318-R321 HydrophobicContact CB-CB 3.91Å; N318-R321 PolarHBondContact O-N 2.88Å; N318-R321 PolarHBondContact OD1-N 2.64Å; N318-R321 VanDerWaalsContact OD1-N 3.12Å; R321-R324 PolarHBondContact O-N 2.8Å; R321-W325 HydrophobicContact CG-CD2 4.3Å; R321-W325 HydrophobicContact CG-CE3 4.06Å; R321-W325 HydrophobicContact CG-CZ3 4.49Å; R321-W325 PolarHBondContact O-N 3.49Å; R321-Y326 HydrophobicContact CG-CE2 4.49Å |
| 322 | F | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.7 | -178 | -90.6 | 0 | 0 | 0 | 112.1 | V213 I214 Y301 V314 A316 N318 P319 E320 R324 W325 Y326 M327 V330 | V213-F322 HydrophobicContact CB-CD1 3.8Å; V213-F322 HydrophobicContact CB-CE1 4.03Å; V213-F322 HydrophobicContact CB-CG 4.46Å; V213-F322 HydrophobicContact CG1-CD1 4.17Å; V213-F322 HydrophobicContact CG1-CG 4.47Å; V213-F322 HydrophobicContact CG2-CD1 3.49Å; V213-F322 VanDerWaalsContact CG2-CD1 3.49Å; V213-F322 HydrophobicContact CG2-CD2 4.27Å; V213-F322 HydrophobicContact CG2-CE1 3.44Å; V213-F322 VanDerWaalsContact CG2-CE1 3.44Å; V213-F322 HydrophobicContact CG2-CE2 4.23Å; V213-F322 HydrophobicContact CG2-CG 3.93Å; V213-F322 HydrophobicContact CG2-CZ 3.85Å; I214-F322 HydrophobicContact CD1-CE1 4.25Å; I214-F322 HydrophobicContact CD1-CZ 4.29Å; Y301-F322 HydrophobicContact CD1-CD2 4.19Å; Y301-F322 HydrophobicContact CD1-CE2 4.18Å; Y301-F322 HydrophobicContact CD2-CE2 4.11Å; Y301-F322 HydrophobicContact CG-CD2 4Å; Y301-F322 AromaticContact CG-CE2 3.76Å; Y301-F322 HydrophobicContact CG-CE2 3.76Å; V314-F322 HydrophobicContact CB-CZ 4.48Å; V314-F322 HydrophobicContact CG1-CE1 4.43Å; V314-F322 HydrophobicContact CG1-CE2 3.7Å; V314-F322 HydrophobicContact CG1-CZ 3.56Å; A316-F322 HydrophobicContact CB-CB 3.66Å; A316-F322 HydrophobicContact CB-CD2 3.88Å; A316-F322 HydrophobicContact CB-CG 3.82Å; N318-F322 WeakPolarHBondContact O-CB 3.37Å; N318-F322 PolarHBondContact O-N 3.27Å; P319-F322 PolarHBondContact O-N 3.07Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.39Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.44Å; F322-W325 PolarHBondContact O-N 2.69Å; F322-Y326 HydrophobicContact CD2-CD2 4.27Å; F322-Y326 HydrophobicContact CD2-CG 4.46Å; F322-Y326 CarbonylContact O-C 3.55Å; F322-Y326 PolarHBondContact O-N 3.02Å; F322-M327 HydrophobicContact CD1-CB 4.49Å; F322-M327 HydrophobicContact CD1-CE 3.9Å; F322-M327 HydrophobicContact CE1-CB 4.23Å; F322-M327 HydrophobicContact CE1-CE 3.66Å; F322-M327 HydrophobicContact CE1-SD 3.79Å; F322-M327 PolarHBondContact O-N 3.38Å; F322-V330 HydrophobicContact CE2-CG2 3.92Å; F322-V330 HydrophobicContact CZ-CB 4.06Å; F322-V330 HydrophobicContact CZ-CG1 4.22Å; F322-V330 HydrophobicContact CZ-CG2 3.97Å |
| 323 | Q | 89.6 | Confident | 91.7 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | -179.9 | -171 | 174.6 | 10.2 | 0 | 0 | 112.1 | P319 E320 M327 | P319-Q323 WeakPolarHBondContact O-CB 3.17Å; P319-Q323 PolarHBondContact O-N 2.97Å; E320-Q323 PolarHBondContact O-N 2.94Å; Q323-M327 WeakPolarHBondContact O-CB 3.16Å |
| 324 | R | 91.1 | Very high | 91.7 | Very high | 182 Ų | 182 | 59.5 Ų | 59.5 | 69% | 0.687 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -75.1 | -42.1 | -178.7 | -66.8 | -180 | -158.5 | 173.7 | 11.3 | 113.1 | E320 R321 F322 | E320-R324 WeakPolarHBondContact O-CG 3.36Å; E320-R324 PolarHBondContact O-N 3.17Å; E320-R324 VanDerWaalsContact O-N 3.09Å; E320-R324 IonicContact OE2-NH2 3.65Å; E320-R324 PolarHBondContact OE2-NH2 3.39Å; E320-R324 VanDerWaalsContact OE2-NH2 3.15Å; R321-R324 PolarHBondContact O-N 2.8Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.44Å |
| 325 | W | 93.3 | Very high | 91.3 | Very high | 165 Ų | 165 | 63.3 Ų | 63.3 | 63% | 0.625 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -111.3 | -31.4 | -165.2 | -62.3 | -4.1 | 0 | 0 | 0 | 114.4 | R321 F322 | R321-W325 HydrophobicContact CG-CD2 4.3Å; R321-W325 HydrophobicContact CG-CE3 4.06Å; R321-W325 HydrophobicContact CG-CZ3 4.49Å; R321-W325 PolarHBondContact O-N 3.49Å; F322-W325 PolarHBondContact O-N 2.69Å |
| 326 | Y | 94.5 | Very high | 90.9 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -21.4 | -169.4 | -57.4 | -55 | 0 | 0 | 0 | 114.1 | P292 D300 Y301 R321 F322 K328 E329 V330 | P292-Y326 HydrophobicContact CG-CE1 4.12Å; P292-Y326 WeakPolarHBondContact CG-OH 3.46Å; D300-Y326 HydrophobicContact CB-CE2 4.09Å; D300-Y326 PolarHBondContact OD2-OH 3.14Å; Y301-Y326 HydrophobicContact CD1-CD1 4.16Å; Y301-Y326 AromaticContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CE2 4.3Å; Y301-Y326 AromaticContact CD1-CG 3.65Å; Y301-Y326 HydrophobicContact CD1-CG 3.65Å; Y301-Y326 AromaticContact CE1-CD1 3.57Å; Y301-Y326 HydrophobicContact CE1-CD1 3.57Å; Y301-Y326 AromaticContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CE1 4.17Å; Y301-Y326 AromaticContact CE1-CG 3.5Å; Y301-Y326 HydrophobicContact CE1-CG 3.5Å; Y301-Y326 VanDerWaalsContact CE1-CG 3.5Å; R321-Y326 HydrophobicContact CG-CE2 4.49Å; F322-Y326 HydrophobicContact CD2-CD2 4.27Å; F322-Y326 HydrophobicContact CD2-CG 4.46Å; F322-Y326 CarbonylContact O-C 3.55Å; F322-Y326 PolarHBondContact O-N 3.02Å; Y326-K328 PolarHBondContact O-N 3.19Å; Y326-E329 PolarHBondContact O-N 3.16Å; Y326-V330 WeakPolarHBondContact O-CB 3.42Å; Y326-V330 WeakPolarHBondContact O-CG2 3.42Å; Y326-V330 PolarHBondContact O-N 3.17Å |
| 327 | M | 91.5 | Very high | 90.4 | Very high | 28 Ų | 28 | 73.4 Ų | 73.4 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.2 | -50.7 | -175.3 | -178.7 | 66.4 | 77.2 | 0 | 0 | 112.8 | I214 F322 Q323 V330 L331 P352 | I214-M327 HydrophobicContact CD1-SD 3.87Å; I214-M327 HydrophobicContact CG1-SD 4.16Å; F322-M327 HydrophobicContact CD1-CB 4.49Å; F322-M327 HydrophobicContact CD1-CE 3.9Å; F322-M327 HydrophobicContact CE1-CB 4.23Å; F322-M327 HydrophobicContact CE1-CE 3.66Å; F322-M327 HydrophobicContact CE1-SD 3.79Å; F322-M327 PolarHBondContact O-N 3.38Å; Q323-M327 WeakPolarHBondContact O-CB 3.16Å; M327-V330 PolarHBondContact O-N 3.35Å; M327-L331 HydrophobicContact CG-CD1 4.07Å; M327-L331 VanDerWaalsContact O-CG 3.32Å; M327-L331 WeakPolarHBondContact O-CG 3.36Å; M327-L331 PolarHBondContact O-N 2.93Å; M327-L331 HydrophobicContact SD-CD1 4.05Å; M327-L331 HydrophobicContact SD-CG 4.3Å; M327-P352 HydrophobicContact CE-CB 3.89Å; M327-P352 HydrophobicContact SD-CB 4.26Å |
| 328 | K | 90.7 | Very high | 89.9 | Confident | 157 Ų | 157 | 79.4 Ų | 79.4 | 68% | 0.683 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | -179.2 | -177 | 177.7 | 173.1 | -178.8 | 0 | 111.6 | Y326 V330 L331 E332 | Y326-K328 PolarHBondContact O-N 3.19Å; K328-V330 VanDerWaalsContact C-N 3.33Å; K328-V330 PolarHBondContact O-N 3.45Å; K328-L331 PolarHBondContact O-N 3.46Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 WeakPolarHBondContact O-CB 3.41Å; K328-E332 WeakPolarHBondContact O-CG 3.34Å; K328-E332 PolarHBondContact O-N 3.31Å |
| 329 | E | 93.2 | Very high | 89.3 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 179.1 | -171 | -153.7 | 145.8 | 0 | 0 | 111.8 | K289 Y301 Y326 E332 F333 | K289-E329 WeakPolarHBondContact CE-OE1 3.46Å; K289-E329 IonicContact NZ-OE1 2.84Å; K289-E329 PolarHBondContact NZ-OE1 3.33Å; Y301-E329 PolarHBondContact OH-OE1 3.29Å; Y326-E329 PolarHBondContact O-N 3.16Å; E329-E332 PolarHBondContact O-N 3.42Å; E329-F333 WeakPolarHBondContact O-CB 3.3Å; E329-F333 PolarHBondContact O-N 3.38Å |
| 330 | V | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.7 | -40.6 | -178.9 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | I214 Y301 V303 V314 F322 Y326 M327 K328 F333 L334 | I214-V330 HydrophobicContact CD1-CG1 4.2Å; Y301-V330 HydrophobicContact CD2-CG2 4.03Å; Y301-V330 HydrophobicContact CE1-CG2 4.48Å; Y301-V330 HydrophobicContact CE2-CG2 3.49Å; Y301-V330 VanDerWaalsContact CE2-CG2 3.49Å; V303-V330 HydrophobicContact CG2-CG1 3.85Å; V314-V330 HydrophobicContact CG1-CG1 4.38Å; V314-V330 HydrophobicContact CG2-CG1 3.95Å; F322-V330 HydrophobicContact CE2-CG2 3.92Å; F322-V330 HydrophobicContact CZ-CB 4.06Å; F322-V330 HydrophobicContact CZ-CG1 4.22Å; F322-V330 HydrophobicContact CZ-CG2 3.97Å; Y326-V330 WeakPolarHBondContact O-CB 3.42Å; Y326-V330 WeakPolarHBondContact O-CG2 3.42Å; Y326-V330 PolarHBondContact O-N 3.17Å; M327-V330 PolarHBondContact O-N 3.35Å; K328-V330 VanDerWaalsContact C-N 3.33Å; K328-V330 PolarHBondContact O-N 3.45Å; V330-F333 WeakPolarHBondContact O-CB 3.39Å; V330-F333 PolarHBondContact O-N 3.47Å; V330-L334 HydrophobicContact CG1-CD1 4.19Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 3.27Å |
| 331 | L | 89.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.2 | -70.2 | 173.9 | 0 | 0 | 0 | 111.6 | I214 M327 K328 F333 L334 E335 I340 | I214-L331 HydrophobicContact CD1-CD2 4.03Å; M327-L331 HydrophobicContact CG-CD1 4.07Å; M327-L331 VanDerWaalsContact O-CG 3.32Å; M327-L331 WeakPolarHBondContact O-CG 3.36Å; M327-L331 PolarHBondContact O-N 2.93Å; M327-L331 HydrophobicContact SD-CD1 4.05Å; M327-L331 HydrophobicContact SD-CG 4.3Å; K328-L331 PolarHBondContact O-N 3.46Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 PolarHBondContact O-N 3.1Å; L331-L334 PolarHBondContact O-N 3.27Å; L331-E335 WeakPolarHBondContact O-CG 3.13Å; L331-E335 PolarHBondContact O-N 2.91Å; L331-I340 HydrophobicContact CD2-CD1 3.91Å |
| 332 | E | 89.5 | Confident | 86.3 | Confident | 106 Ų | 106 | 80 Ų | 80 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 173.9 | -74 | 174.7 | -174.3 | 0 | 0 | 111.6 | K328 E329 K336 | K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 WeakPolarHBondContact O-CB 3.41Å; K328-E332 WeakPolarHBondContact O-CG 3.34Å; K328-E332 PolarHBondContact O-N 3.31Å; E329-E332 PolarHBondContact O-N 3.42Å; E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.05Å |
| 333 | F | 90.6 | Very high | 84.8 | Confident | 34 Ų | 34 | 84 Ų | 84 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -46 | 174 | 171.6 | -93 | 0 | 0 | 0 | 112 | I288 K289 E329 V330 L331 K336 H337 | I288-F333 HydrophobicContact CD1-CE1 4.05Å; I288-F333 HydrophobicContact CG1-CE1 4.29Å; K289-F333 HydrophobicContact CB-CD1 4.38Å; K289-F333 HydrophobicContact CB-CE1 3.83Å; K289-F333 HydrophobicContact CB-CE2 4.43Å; K289-F333 HydrophobicContact CB-CZ 3.86Å; K289-F333 HydrophobicContact CD-CB 4.15Å; K289-F333 HydrophobicContact CD-CD1 3.65Å; K289-F333 HydrophobicContact CD-CD2 3.62Å; K289-F333 HydrophobicContact CD-CE1 3.88Å; K289-F333 HydrophobicContact CD-CE2 3.84Å; K289-F333 HydrophobicContact CD-CG 3.51Å; K289-F333 HydrophobicContact CD-CZ 3.98Å; K289-F333 HydrophobicContact CG-CE1 4.5Å; K289-F333 HydrophobicContact CG-CZ 4.44Å; E329-F333 WeakPolarHBondContact O-CB 3.3Å; E329-F333 PolarHBondContact O-N 3.38Å; V330-F333 WeakPolarHBondContact O-CB 3.39Å; V330-F333 PolarHBondContact O-N 3.47Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 PolarHBondContact O-N 3.1Å; F333-K336 PolarHBondContact O-N 2.78Å; F333-H337 AromaticContact CD2-CE1 3.26Å; F333-H337 WeakPolarHBondContact CD2-CE1 3.5Å; F333-H337 AromaticContact CD2-ND1 3.33Å; F333-H337 VanDerWaalsContact CD2-ND1 3.33Å; F333-H337 WeakPolarHBondContact CD2-ND1 3.31Å; F333-H337 AromaticContact CE2-CE1 3.16Å; F333-H337 WeakPolarHBondContact CE2-CE1 3.3Å; F333-H337 AromaticContact CE2-ND1 3.36Å; F333-H337 WeakPolarHBondContact CE2-ND1 3.45Å; F333-H337 AromaticContact CE2-NE2 3.77Å; F333-H337 AromaticContact CG-ND1 3.85Å; F333-H337 AromaticContact CZ-ND1 3.88Å; F333-H337 PolarHBondContact O-N 3.1Å; F333-H337 PolarHBondContact O-ND1 3.25Å |
| 334 | L | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 179.9 | -71.2 | 174.9 | 0 | 0 | 0 | 111.9 | I288 V303 V312 V330 L331 K338 Y339 I340 | I288-L334 HydrophobicContact CD1-CD2 4.37Å; V303-L334 HydrophobicContact CG1-CD2 3.87Å; V312-L334 HydrophobicContact CG1-CD1 4.13Å; V312-L334 HydrophobicContact CG1-CD2 3.77Å; V330-L334 HydrophobicContact CG1-CD1 4.19Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 3.27Å; L331-L334 PolarHBondContact O-N 3.27Å; L334-K338 PolarHBondContact O-N 2.79Å; L334-Y339 HydrophobicContact CD2-CD2 4.11Å; L334-Y339 HydrophobicContact CD2-CG 3.9Å; L334-Y339 WeakPolarHBondContact O-CB 3.3Å; L334-Y339 PolarHBondContact O-N 2.95Å; L334-I340 HydrophobicContact CB-CD1 3.58Å; L334-I340 HydrophobicContact CB-CG1 3.86Å; L334-I340 HydrophobicContact CD1-CD1 3.96Å; L334-I340 HydrophobicContact CG-CD1 4.43Å; L334-I340 PolarHBondContact O-N 2.86Å |
| 335 | E | 86.1 | Confident | 82.6 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 173.3 | -72.9 | -174.7 | 169.5 | 0 | 0 | 111.1 | L331 H337 K338 I340 K345 | L331-E335 WeakPolarHBondContact O-CG 3.13Å; L331-E335 PolarHBondContact O-N 2.91Å; E335-H337 VanDerWaalsContact C-N 3.27Å; E335-H337 PolarHBondContact O-N 3.04Å; E335-K338 PolarHBondContact O-N 3.15Å; E335-I340 HydrophobicContact CG-CB 3.84Å; E335-I340 HydrophobicContact CG-CD1 4.43Å; E335-I340 HydrophobicContact CG-CG2 3.84Å; E335-K345 IonicContact OE1-NZ 2.98Å; E335-K345 PolarHBondContact OE1-NZ 2.92Å |
| 336 | K | 86.4 | Confident | 80.7 | Confident | 169 Ų | 169 | 72.1 Ų | 72.1 | 74% | 0.735 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.8 | -38.4 | -179.8 | -178.4 | 176.9 | 179 | 178.7 | 0 | 112.7 | E332 F333 K338 | E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.05Å; F333-K336 PolarHBondContact O-N 2.78Å; K336-K338 VanDerWaalsContact C-N 3.33Å |
| 337 | H | 84.8 | Confident | 79.3 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 27% | 0.269 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12 | -179.7 | -62 | 81.8 | 0 | 0 | 0 | 113.3 | K309 F333 E335 Y339 | K309-H337 PolarHBondContact NZ-O 2.97Å; F333-H337 AromaticContact CD2-CE1 3.26Å; F333-H337 WeakPolarHBondContact CD2-CE1 3.5Å; F333-H337 AromaticContact CD2-ND1 3.33Å; F333-H337 VanDerWaalsContact CD2-ND1 3.33Å; F333-H337 WeakPolarHBondContact CD2-ND1 3.31Å; F333-H337 AromaticContact CE2-CE1 3.16Å; F333-H337 WeakPolarHBondContact CE2-CE1 3.3Å; F333-H337 AromaticContact CE2-ND1 3.36Å; F333-H337 WeakPolarHBondContact CE2-ND1 3.45Å; F333-H337 AromaticContact CE2-NE2 3.77Å; F333-H337 AromaticContact CG-ND1 3.85Å; F333-H337 AromaticContact CZ-ND1 3.88Å; F333-H337 PolarHBondContact O-N 3.1Å; F333-H337 PolarHBondContact O-ND1 3.25Å; E335-H337 VanDerWaalsContact C-N 3.27Å; E335-H337 PolarHBondContact O-N 3.04Å; H337-Y339 HydrophobicContact CB-CD2 3.63Å; H337-Y339 HydrophobicContact CB-CE2 3.58Å; H337-Y339 PolarHBondContact O-N 3.41Å |
| 338 | K | 81.8 | Confident | 78.4 | Confident | 147 Ų | 147 | 77.6 Ų | 77.6 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 28.8 | 175.8 | -53.6 | -174.8 | 179.9 | -175.2 | 0 | 114.5 | L334 E335 K336 N341 | L334-K338 PolarHBondContact O-N 2.79Å; E335-K338 PolarHBondContact O-N 3.15Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K338-N341 VanDerWaalsContact CA-OD1 3.31Å; K338-N341 WeakPolarHBondContact CA-OD1 3.32Å; K338-N341 WeakPolarHBondContact CB-OD1 3.19Å; K338-N341 PolarHBondContact O-ND2 3.32Å; K338-N341 PolarHBondContact O-OD1 2.98Å |
| 339 | Y | 79.3 | Confident | 77.2 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -78 | -39.8 | 164.7 | -69.5 | -89.4 | 0 | 0 | 0 | 109.8 | D197 I288 S305 K309 V312 L334 H337 I350 | D197-Y339 PolarHBondContact OD2-OH 2.99Å; D197-Y339 VanDerWaalsContact OD2-OH 3.13Å; I288-Y339 HydrophobicContact CD1-CD1 4.06Å; I288-Y339 HydrophobicContact CD1-CD2 4.14Å; I288-Y339 HydrophobicContact CD1-CE1 3.51Å; I288-Y339 HydrophobicContact CD1-CE2 3.62Å; I288-Y339 HydrophobicContact CD1-CG 4.37Å; S305-Y339 WeakPolarHBondContact OG-CE1 3.33Å; K309-Y339 HydrophobicContact CB-CD1 3.48Å; K309-Y339 VanDerWaalsContact CB-CD1 3.48Å; K309-Y339 HydrophobicContact CB-CE1 3.55Å; K309-Y339 HydrophobicContact CB-CG 4.3Å; K309-Y339 HydrophobicContact CD-CD1 4.16Å; K309-Y339 HydrophobicContact CD-CD2 4.47Å; K309-Y339 HydrophobicContact CD-CE1 3.95Å; K309-Y339 HydrophobicContact CD-CE2 4.27Å; K309-Y339 HydrophobicContact CD-CG 4.39Å; K309-Y339 HydrophobicContact CG-CD1 3.89Å; K309-Y339 HydrophobicContact CG-CE1 3.49Å; K309-Y339 VanDerWaalsContact CG-CE1 3.49Å; V312-Y339 HydrophobicContact CG2-CD1 3.73Å; V312-Y339 HydrophobicContact CG2-CG 4.36Å; L334-Y339 HydrophobicContact CD2-CD2 4.11Å; L334-Y339 HydrophobicContact CD2-CG 3.9Å; L334-Y339 WeakPolarHBondContact O-CB 3.3Å; L334-Y339 PolarHBondContact O-N 2.95Å; H337-Y339 HydrophobicContact CB-CD2 3.63Å; H337-Y339 HydrophobicContact CB-CE2 3.58Å; H337-Y339 PolarHBondContact O-N 3.41Å; Y339-I350 WeakPolarHBondContact O-CD1 3.39Å |
| 340 | I | 72.8 | Confident | 76.3 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -101.4 | 109.6 | 168.6 | -62.4 | 168.4 | 0 | 0 | 0 | 107.9 | L331 L334 E335 T344 K345 I350 | L331-I340 HydrophobicContact CD2-CD1 3.91Å; L334-I340 HydrophobicContact CB-CD1 3.58Å; L334-I340 HydrophobicContact CB-CG1 3.86Å; L334-I340 HydrophobicContact CD1-CD1 3.96Å; L334-I340 HydrophobicContact CG-CD1 4.43Å; L334-I340 PolarHBondContact O-N 2.86Å; E335-I340 HydrophobicContact CG-CB 3.84Å; E335-I340 HydrophobicContact CG-CD1 4.43Å; E335-I340 HydrophobicContact CG-CG2 3.84Å; I340-T344 VanDerWaalsContact CA-OG1 3.29Å; I340-T344 WeakPolarHBondContact CA-OG1 3.32Å; I340-K345 HydrophobicContact CG2-CB 4.06Å; I340-I350 HydrophobicContact CD1-CG2 4.2Å; I340-I350 HydrophobicContact CG1-CB 4.3Å; I340-I350 HydrophobicContact CG1-CD1 3.63Å; I340-I350 HydrophobicContact CG1-CG2 4.31Å |
| 341 | N | 70.6 | Confident | 75.6 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -106.1 | 172.8 | 170 | -63.8 | -29.9 | 0 | 0 | 0 | 110.1 | K338 V343 T344 K345 | K338-N341 VanDerWaalsContact CA-OD1 3.31Å; K338-N341 WeakPolarHBondContact CA-OD1 3.32Å; K338-N341 WeakPolarHBondContact CB-OD1 3.19Å; K338-N341 PolarHBondContact O-ND2 3.32Å; K338-N341 PolarHBondContact O-OD1 2.98Å; N341-V343 PolarHBondContact O-N 3.06Å; N341-V343 VanDerWaalsContact O-N 3.17Å; N341-T344 PolarHBondContact N-OG1 3.02Å; N341-T344 PolarHBondContact O-N 3.14Å; N341-T344 VanDerWaalsContact O-N 3.13Å; N341-T344 PolarHBondContact O-OG1 3.41Å; N341-K345 WeakPolarHBondContact O-CB 3.19Å; N341-K345 PolarHBondContact O-N 3.46Å | ||
| 342 | F | 61.7 | Low | 75.2 | Confident | 165 Ų | 165 | 71.2 Ų | 71.2 | 72% | 0.724 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -50.8 | -42.2 | 176.8 | 179.9 | -97.2 | 0 | 0 | 0 | 112.4 | K345 A346 | F342-K345 PolarHBondContact O-N 2.94Å; F342-A346 WeakPolarHBondContact O-CB 3.29Å; F342-A346 PolarHBondContact O-N 2.83Å |
| 343 | V | 62.8 | Low | 74.8 | Confident | 88 Ų | 88 | 68 Ų | 68 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | N341 K345 A346 L347 | N341-V343 PolarHBondContact O-N 3.06Å; N341-V343 VanDerWaalsContact O-N 3.17Å; V343-K345 VanDerWaalsContact C-N 3.26Å; V343-K345 PolarHBondContact O-N 3.43Å; V343-A346 PolarHBondContact O-N 2.91Å; V343-L347 HydrophobicContact CG1-CD1 3.74Å; V343-L347 HydrophobicContact CG1-CG 4.43Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 WeakPolarHBondContact O-CG 3.24Å; V343-L347 PolarHBondContact O-N 2.95Å |
| 344 | T | 67.3 | Low | 74.1 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.2 | -31.7 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | I340 N341 S348 M349 | I340-T344 VanDerWaalsContact CA-OG1 3.29Å; I340-T344 WeakPolarHBondContact CA-OG1 3.32Å; N341-T344 PolarHBondContact N-OG1 3.02Å; N341-T344 PolarHBondContact O-N 3.14Å; N341-T344 VanDerWaalsContact O-N 3.13Å; N341-T344 PolarHBondContact O-OG1 3.41Å; T344-S348 PolarHBondContact O-N 2.94Å; T344-M349 HydrophobicContact CG2-CB 4.33Å; T344-M349 HydrophobicContact CG2-SD 3.88Å; T344-M349 PolarHBondContact O-N 2.77Å |
| 345 | K | 67 | Low | 73.3 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.1 | -46.2 | 175.4 | -168 | 169.4 | -172.6 | 162.1 | 0 | 111.4 | E335 I340 N341 F342 V343 L347 S348 | E335-K345 IonicContact OE1-NZ 2.98Å; E335-K345 PolarHBondContact OE1-NZ 2.92Å; I340-K345 HydrophobicContact CG2-CB 4.06Å; N341-K345 WeakPolarHBondContact O-CB 3.19Å; N341-K345 PolarHBondContact O-N 3.46Å; F342-K345 PolarHBondContact O-N 2.94Å; V343-K345 VanDerWaalsContact C-N 3.26Å; V343-K345 PolarHBondContact O-N 3.43Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.69Å; K345-S348 PolarHBondContact O-N 2.65Å |
| 346 | A | 52.8 | Low | 72.8 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F342 V343 | F342-A346 WeakPolarHBondContact O-CB 3.29Å; F342-A346 PolarHBondContact O-N 2.83Å; V343-A346 PolarHBondContact O-N 2.91Å |
| 347 | L | 66.4 | Low | 72.3 | Confident | 99 Ų | 99 | 78.3 Ų | 78.3 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.9 | 180 | -63.5 | 177.9 | 0 | 0 | 0 | 113.5 | H218 V343 K345 M349 | H218-L347 PolarHBondContact NE2-O 3.21Å; V343-L347 HydrophobicContact CG1-CD1 3.74Å; V343-L347 HydrophobicContact CG1-CG 4.43Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 WeakPolarHBondContact O-CG 3.24Å; V343-L347 PolarHBondContact O-N 2.95Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.69Å; L347-M349 HydrophobicContact CB-CG 3.6Å; L347-M349 HydrophobicContact CB-SD 4.16Å; L347-M349 HydrophobicContact CD1-SD 4.11Å; L347-M349 PolarHBondContact O-N 2.85Å |
| 348 | S | 71.8 | Confident | 71.8 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 36 | -176.6 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | T344 K345 I350 | T344-S348 PolarHBondContact O-N 2.94Å; K345-S348 PolarHBondContact O-N 2.65Å; S348-I350 PolarHBondContact O-N 3.08Å |
| 349 | M | 65.7 | Low | 71.1 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | trans | -71.3 | -15.8 | -176.3 | -54.3 | -174.4 | 63.4 | 0 | 0 | 112.6 | S216 F310 T344 L347 | S216-M349 WeakPolarHBondContact CA-O 3.13Å; S216-M349 VanDerWaalsContact CB-O 3.22Å; S216-M349 WeakPolarHBondContact CB-O 3.3Å; S216-M349 PolarHBondContact OG-O 3.27Å; F310-M349 HydrophobicContact CE1-CE 4.16Å; F310-M349 HydrophobicContact CE2-CB 4.1Å; F310-M349 HydrophobicContact CE2-CE 3.8Å; F310-M349 HydrophobicContact CZ-CE 3.57Å; T344-M349 HydrophobicContact CG2-CB 4.33Å; T344-M349 HydrophobicContact CG2-SD 3.88Å; T344-M349 PolarHBondContact O-N 2.77Å; L347-M349 HydrophobicContact CB-CG 3.6Å; L347-M349 HydrophobicContact CB-SD 4.16Å; L347-M349 HydrophobicContact CD1-SD 4.11Å; L347-M349 PolarHBondContact O-N 2.85Å | ||
| 350 | I | 74.7 | Confident | 70.4 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -133.2 | 116.3 | 173 | -63 | 171.5 | 0 | 0 | 0 | 105.5 | I214 T215 V312 Y339 I340 S348 | I214-I350 HydrophobicContact CG2-CG2 3.35Å; T215-I350 WeakPolarHBondContact O-CA 3.07Å; V312-I350 HydrophobicContact CB-CD1 3.94Å; V312-I350 HydrophobicContact CB-CG1 4.35Å; V312-I350 HydrophobicContact CG2-CD1 3.89Å; Y339-I350 WeakPolarHBondContact O-CD1 3.39Å; I340-I350 HydrophobicContact CD1-CG2 4.2Å; I340-I350 HydrophobicContact CG1-CB 4.3Å; I340-I350 HydrophobicContact CG1-CD1 3.63Å; I340-I350 HydrophobicContact CG1-CG2 4.31Å; S348-I350 PolarHBondContact O-N 3.08Å |
| 351 | A | 78.1 | Confident | 69.5 | Low | 27 Ų | 27 | 80.7 Ų | 80.7 | 22% | 0.223 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I214 T215 P217 | I214-A351 WeakPolarHBondContact CA-O 3.46Å; T215-A351 PolarHBondContact N-O 3.29Å; T215-A351 PolarHBondContact O-N 3.45Å; P217-A351 HydrophobicContact CG-CB 4.5Å |
| 352 | P | 80.9 | Confident | 68.3 | Low | 77 Ų | 77 | 81.6 Ų | 81.6 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 147.5 | 168.7 | 29.9 | -33.4 | 0 | 0 | 0 | 110.4 | V213 M327 | V213-P352 CarbonylContact O-C 3.56Å; V213-P352 WeakPolarHBondContact O-CA 3.32Å; M327-P352 HydrophobicContact CE-CB 3.89Å; M327-P352 HydrophobicContact SD-CB 4.26Å |
| 353 | V | 80.8 | Confident | 67.7 | Low | 38 Ų | 38 | 79.1 Ų | 79.1 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | trans | -92.9 | 128.6 | 179 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | Q212 V213 T215 Y355 | Q212-V353 WeakPolarHBondContact O-CG2 3.35Å; V213-V353 PolarHBondContact O-N 3.34Å; T215-V353 HydrophobicContact CG2-CG2 3.93Å; V353-Y355 PolarHBondContact O-N 3.15Å | ||
| 354 | E | 75.9 | Confident | 67 | Low | 134 Ų | 134 | 78.1 Ų | 78.1 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | trans | -78.4 | 86.9 | 175 | -64.5 | -161.9 | -165.6 | 0 | 0 | 111.1 | K356 E357 | E354-K356 PolarHBondContact O-N 3.05Å; E354-K356 VanDerWaalsContact O-N 3.13Å; E354-E357 HydrophobicContact CB-CG 4.3Å; E354-E357 PolarHBondContact O-N 3.17Å | ||
| 355 | Y | 72 | Confident | 65.6 | Low | 61 Ų | 61 | 80 Ų | 80 | 24% | 0.239 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -57.9 | -29.2 | -175.8 | -176 | -94.7 | 0 | 0 | 0 | 114.1 | F211 P319 V353 E357 C358 Y360 | F211-Y355 HydrophobicContact CD1-CD2 4.5Å; F211-Y355 AromaticContact CD1-CE2 3.65Å; F211-Y355 HydrophobicContact CD1-CE2 3.65Å; F211-Y355 AromaticContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CG-CE2 4.32Å; P319-Y355 HydrophobicContact CB-CD1 4.49Å; P319-Y355 HydrophobicContact CB-CD2 3.74Å; P319-Y355 HydrophobicContact CB-CE2 4.2Å; P319-Y355 HydrophobicContact CB-CG 3.9Å; P319-Y355 HydrophobicContact CG-CD1 3.94Å; P319-Y355 HydrophobicContact CG-CD2 3.35Å; P319-Y355 HydrophobicContact CG-CE1 3.93Å; P319-Y355 HydrophobicContact CG-CE2 3.31Å; P319-Y355 HydrophobicContact CG-CG 3.67Å; V353-Y355 PolarHBondContact O-N 3.15Å; Y355-E357 PolarHBondContact O-N 3.33Å; Y355-C358 WeakPolarHBondContact O-CB 3.04Å; Y355-C358 PolarHBondContact O-N 2.86Å; Y355-C358 VanDerWaalsContact O-N 3.13Å; Y355-Y360 HydrophobicContact CD2-CD2 4.43Å; Y355-Y360 AromaticContact CD2-CE2 3.39Å; Y355-Y360 HydrophobicContact CD2-CE2 3.39Å; Y355-Y360 AromaticContact CD2-CZ 3.81Å; Y355-Y360 WeakPolarHBondContact CD2-OH 3.31Å; Y355-Y360 HydrophobicContact CE1-CD2 4.43Å; Y355-Y360 HydrophobicContact CE1-CE2 4.19Å; Y355-Y360 AromaticContact CE2-CD2 3.6Å; Y355-Y360 HydrophobicContact CE2-CD2 3.6Å; Y355-Y360 AromaticContact CE2-CE2 2.89Å; Y355-Y360 HydrophobicContact CE2-CE2 2.89Å; Y355-Y360 AromaticContact CE2-CZ 3.47Å; Y355-Y360 VanDerWaalsContact CE2-CZ 3.47Å; Y355-Y360 HydrophobicContact CG-CE2 4.21Å; Y355-Y360 AromaticContact CZ-CD2 3.58Å; Y355-Y360 AromaticContact CZ-CE2 3.35Å; Y355-Y360 WeakPolarHBondContact OH-CD2 3.4Å |
| 356 | K | 75.8 | Confident | 64.1 | Low | 195 Ų | 195 | 79 Ų | 79 | 85% | 0.848 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.4 | -176.9 | -67.6 | -175.7 | 179.7 | -179.9 | 0 | 113.6 | E354 C358 | E354-K356 PolarHBondContact O-N 3.05Å; E354-K356 VanDerWaalsContact O-N 3.13Å; K356-C358 VanDerWaalsContact C-N 3.32Å |
| 357 | E | 74.6 | Confident | 63.1 | Low | 111 Ų | 111 | 79.1 Ų | 79.1 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -83.5 | -15.7 | -179.4 | -53.9 | -171.4 | 148.7 | 0 | 0 | 112.1 | V252 E354 Y355 Q359 | V252-E357 HydrophobicContact CG1-CB 3.8Å; V252-E357 WeakPolarHBondContact CG1-O 3.28Å; E354-E357 HydrophobicContact CB-CG 4.3Å; E354-E357 PolarHBondContact O-N 3.17Å; Y355-E357 PolarHBondContact O-N 3.33Å; E357-Q359 PolarHBondContact O-N 2.94Å |
| 358 | C | 75.4 | Confident | 61.5 | Low | 12 Ų | 12 | 79.8 Ų | 79.8 | 8% | 0.081 | 47% | 0.471 | C | S | . | . | trans | -83 | 110.3 | -176.3 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | C224 Y355 K356 Y360 | C224-C358 WeakPolarHBondContact CA-SG 3.41Å; C224-C358 HydrophobicContact CB-CB 3.65Å; C224-C358 WeakPolarHBondContact CB-SG 3.49Å; C224-C358 WeakPolarHBondContact SG-CA 3.25Å; C224-C358 WeakPolarHBondContact SG-CB 3.21Å; C224-C358 CovalentContact SG-SG 2.03Å; C224-C358 PolarHBondContact SG-SG 3.11Å; Y355-C358 WeakPolarHBondContact O-CB 3.04Å; Y355-C358 PolarHBondContact O-N 2.86Å; Y355-C358 VanDerWaalsContact O-N 3.13Å; K356-C358 VanDerWaalsContact C-N 3.32Å; C358-Y360 HydrophobicContact CB-CD2 3.91Å; C358-Y360 HydrophobicContact CB-CE1 4.2Å; C358-Y360 HydrophobicContact CB-CE2 3.15Å; C358-Y360 WeakPolarHBondContact CB-OH 3.3Å; C358-Y360 WeakPolarHBondContact O-CD2 3.42Å; C358-Y360 PolarHBondContact O-N 3.18Å; C358-Y360 VanDerWaalsContact O-N 3.09Å | ||
| 359 | Q | 66.1 | Low | 61 | Low | 157 Ų | 157 | 80.2 Ų | 80.2 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | trans | -76.7 | 92.9 | 166.6 | -66.5 | -179.1 | 1 | 0 | 0 | 109.4 | R248 E357 | R248-Q359 PolarHBondContact NH1-O 2.93Å; R248-Q359 PolarHBondContact NH2-O 3.06Å; E357-Q359 PolarHBondContact O-N 2.94Å | ||
| 360 | Y | 64.9 | Low | 60.7 | Low | 35 Ų | 35 | 82.4 Ų | 82.4 | 14% | 0.137 | 49% | 0.485 | C | S | . | . | trans | -78.8 | 125.9 | 168.2 | -59.2 | -77.4 | 0 | 0 | 0 | 108.6 | F211 C224 V226 Y355 C358 | F211-Y360 HydrophobicContact CD1-CE1 4.46Å; C224-Y360 WeakPolarHBondContact CA-OH 3.35Å; C224-Y360 HydrophobicContact CB-CE1 3.89Å; C224-Y360 WeakPolarHBondContact O-CE1 3.34Å; V226-Y360 HydrophobicContact CG2-CD1 3.45Å; V226-Y360 VanDerWaalsContact CG2-CD1 3.45Å; V226-Y360 HydrophobicContact CG2-CE1 3.16Å; Y355-Y360 HydrophobicContact CD2-CD2 4.43Å; Y355-Y360 AromaticContact CD2-CE2 3.39Å; Y355-Y360 HydrophobicContact CD2-CE2 3.39Å; Y355-Y360 AromaticContact CD2-CZ 3.81Å; Y355-Y360 WeakPolarHBondContact CD2-OH 3.31Å; Y355-Y360 HydrophobicContact CE1-CD2 4.43Å; Y355-Y360 HydrophobicContact CE1-CE2 4.19Å; Y355-Y360 AromaticContact CE2-CD2 3.6Å; Y355-Y360 HydrophobicContact CE2-CD2 3.6Å; Y355-Y360 AromaticContact CE2-CE2 2.89Å; Y355-Y360 HydrophobicContact CE2-CE2 2.89Å; Y355-Y360 AromaticContact CE2-CZ 3.47Å; Y355-Y360 VanDerWaalsContact CE2-CZ 3.47Å; Y355-Y360 HydrophobicContact CG-CE2 4.21Å; Y355-Y360 AromaticContact CZ-CD2 3.58Å; Y355-Y360 AromaticContact CZ-CE2 3.35Å; Y355-Y360 WeakPolarHBondContact OH-CD2 3.4Å; C358-Y360 HydrophobicContact CB-CD2 3.91Å; C358-Y360 HydrophobicContact CB-CE1 4.2Å; C358-Y360 HydrophobicContact CB-CE2 3.15Å; C358-Y360 WeakPolarHBondContact CB-OH 3.3Å; C358-Y360 WeakPolarHBondContact O-CD2 3.42Å; C358-Y360 PolarHBondContact O-N 3.18Å; C358-Y360 VanDerWaalsContact O-N 3.09Å | ||
| 361 | T | 53.5 | Low | 59.9 | Low | 76 Ų | 76 | 85.9 Ų | 85.9 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | trans | -62.9 | 138.3 | 175.8 | 39.7 | 0 | 0 | 0 | 0 | 109.6 | T363 F364 S365 | T361-T363 PolarHBondContact O-N 3.49Å; T361-F364 PolarHBondContact O-N 2.87Å; T361-F364 WeakPolarHBondContact OG1-CD2 3.21Å; T361-F364 WeakPolarHBondContact OG1-CE2 3.38Å; T361-S365 PolarHBondContact O-N 3.43Å; T361-S365 PolarHBondContact O-OG 3.32Å | ||
| 362 | P | 47 | Very low | 58.9 | Low | 98 Ų | 98 | 89.4 Ų | 89.4 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -21.5 | -171.9 | 16.9 | -28.9 | 0 | 0 | 0 | 114.6 | F364 S365 S366 | P362-F364 PolarHBondContact O-N 3.48Å; P362-F364 VanDerWaalsContact O-N 3.14Å; P362-S365 WeakPolarHBondContact CA-OG 3.41Å; P362-S365 PolarHBondContact O-N 3.09Å; P362-S365 VanDerWaalsContact O-N 3.12Å; P362-S366 WeakPolarHBondContact O-CB 3.4Å; P362-S366 PolarHBondContact O-N 3.26Å; P362-S366 VanDerWaalsContact O-N 3.08Å |
| 363 | T | 47.8 | Very low | 57.5 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.9 | -25.7 | 169.4 | 6.7 | 0 | 0 | 0 | 0 | 113.1 | T361 | T361-T363 PolarHBondContact O-N 3.49Å |
| 364 | F | 48.4 | Very low | 55.9 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -107 | -11.5 | 176.9 | -55.8 | -64.6 | 0 | 0 | 0 | 113.6 | R209 F246 T361 P362 | R209-F364 PolarHBondContact NH1-O 3.25Å; F246-F364 HydrophobicContact CD1-CE2 4.2Å; F246-F364 HydrophobicContact CD1-CZ 4.05Å; F246-F364 HydrophobicContact CD2-CD1 4.14Å; F246-F364 AromaticContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE2 4.42Å; F246-F364 AromaticContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CE1-CE1 4.19Å; F246-F364 HydrophobicContact CE1-CE2 4.08Å; F246-F364 AromaticContact CE1-CZ 3.53Å; F246-F364 HydrophobicContact CE1-CZ 3.53Å; F246-F364 AromaticContact CE2-CD1 3.88Å; F246-F364 HydrophobicContact CE2-CD1 3.88Å; F246-F364 AromaticContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE2 4.28Å; F246-F364 AromaticContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CE2-CZ 3.42Å; F246-F364 VanDerWaalsContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CG-CE2 4.38Å; F246-F364 HydrophobicContact CG-CZ 4.26Å; F246-F364 HydrophobicContact CZ-CD1 4.47Å; F246-F364 AromaticContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE1 3.41Å; F246-F364 VanDerWaalsContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE2 4.12Å; F246-F364 AromaticContact CZ-CZ 3.18Å; F246-F364 HydrophobicContact CZ-CZ 3.18Å; T361-F364 PolarHBondContact O-N 2.87Å; T361-F364 WeakPolarHBondContact OG1-CD2 3.21Å; T361-F364 WeakPolarHBondContact OG1-CE2 3.38Å; P362-F364 PolarHBondContact O-N 3.48Å; P362-F364 VanDerWaalsContact O-N 3.14Å |
| 365 | S | 38.6 | Very low | 54.5 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.6 | -32.1 | 175.3 | -38.5 | 0 | 0 | 0 | 0 | 111.9 | R209 T361 P362 | R209-S365 VanDerWaalsContact NH1-C 3.32Å; R209-S365 PolarHBondContact NH1-O 3.45Å; T361-S365 PolarHBondContact O-N 3.43Å; T361-S365 PolarHBondContact O-OG 3.32Å; P362-S365 WeakPolarHBondContact CA-OG 3.41Å; P362-S365 PolarHBondContact O-N 3.09Å; P362-S365 VanDerWaalsContact O-N 3.12Å |
| 366 | S | 35.1 | Very low | 53.2 | Low | 106 Ų | 106 | 93.1 Ų | 93.1 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -95.4 | -2.8 | -166.4 | -168.1 | 0 | 0 | 0 | 0 | 116.7 | P362 G368 | P362-S366 WeakPolarHBondContact O-CB 3.4Å; P362-S366 PolarHBondContact O-N 3.26Å; P362-S366 VanDerWaalsContact O-N 3.08Å; S366-G368 PolarHBondContact O-N 2.84Å |
| 367 | A | 32.2 | Very low | 51.3 | Low | 69 Ų | 69 | 84.6 Ų | 84.6 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | trans | -89.3 | 90.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R209 | R209-A367 PolarHBondContact NH1-O 3.28Å; R209-A367 PolarHBondContact NH2-O 3.45Å; R209-A367 VanDerWaalsContact NH2-O 3.15Å | ||
| 368 | G | 31.9 | Very low | 49.2 | Very low | 113 Ų | 113 | 82.2 Ų | 82.2 | 100% | 1.165 | 54% | 0.539 | S | S | * | . | trans | -67 | 0 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S366 | S366-G368 PolarHBondContact O-N 2.84Š|
Retrieved 368 of 368 residues in 151.9 ms
(Link to these results)