| 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 | 46.7 | Very low | 57 | Low | 236 Ų | 236 | 134 Ų | 134 | 100% | 1.163 | 79% | 0.791 | S | S | * | * | 0 | 142.5 | 0 | -63.8 | 171 | 75.7 | 0 | 0 | 107.8 | |||||
| 2 | P | 63.9 | Low | 56.8 | Low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 154.7 | -179.4 | 32.2 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 3 | P | 69.8 | Low | 56.3 | Low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 155.7 | 173.4 | 31.2 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 4 | S | 54.8 | Low | 56.1 | Low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 137.2 | -176.4 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | W6 | S4-W6 VanDerWaalsContact C-N 3.29Å; S4-W6 PolarHBondContact O-N 3.2Å |
| 5 | P | 64.3 | Low | 55.8 | Low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -81.1 | 9.9 | -170.2 | 32.6 | -37.4 | 0 | 0 | 0 | 116 | A7 | P5-A7 PolarHBondContact O-N 3.21Š|
| 6 | W | 57.1 | Low | 55.7 | Low | 200 Ų | 200 | 131.6 Ų | 131.6 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 21.6 | -170.4 | -74.1 | 80.5 | 0 | 0 | 0 | 115.3 | S4 H8 | S4-W6 VanDerWaalsContact C-N 3.29Å; S4-W6 PolarHBondContact O-N 3.2Å; W6-H8 VanDerWaalsContact C-N 3.33Å; W6-H8 AromaticContact CE3-NE2 3.65Å; W6-H8 PolarHBondContact O-CD2 3.15Å; W6-H8 PolarHBondContact O-N 3.15Å | ||
| 7 | A | 54.9 | Low | 55.2 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 76.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P5 S9 | P5-A7 PolarHBondContact O-N 3.21Å; A7-S9 PolarHBondContact O-N 3.31Å | ||
| 8 | H | 51 | Low | 54.9 | Low | 152 Ų | 152 | 136.1 Ų | 136.1 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | -74.6 | 104.9 | 178.3 | -71.7 | -82.8 | 0 | 0 | 0 | 112 | W6 S10 | W6-H8 VanDerWaalsContact C-N 3.33Å; W6-H8 AromaticContact CE3-NE2 3.65Å; W6-H8 PolarHBondContact O-CD2 3.15Å; W6-H8 PolarHBondContact O-N 3.15Å; H8-S10 PolarHBondContact O-N 2.89Å | ||
| 9 | S | 53.3 | Low | 54.3 | Low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67 | 123.1 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | A7 | A7-S9 PolarHBondContact O-N 3.31Š|
| 10 | S | 54 | Low | 54.1 | Low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.6 | 172.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | H8 T12 | H8-S10 PolarHBondContact O-N 2.89Å; S10-T12 PolarHBondContact O-N 3.27Å |
| 11 | P | 57.1 | Low | 53.7 | Low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 120 | 178.6 | 29.6 | -33.4 | 0 | 0 | 0 | 111.5 | L13 | P11-L13 PolarHBondContact O-N 2.92Š|
| 12 | T | 55.3 | Low | 53.8 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -68.5 | 101.2 | 171.1 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | S10 V14 | S10-T12 PolarHBondContact O-N 3.27Å; T12-V14 HydrophobicContact CG2-CG2 4.43Å; T12-V14 PolarHBondContact O-N 3.05Å | ||
| 13 | L | 49.2 | Very low | 52.9 | Low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -71 | 92.3 | 176.2 | -78.7 | 172.1 | 0 | 0 | 0 | 111.4 | P11 S15 | P11-L13 PolarHBondContact O-N 2.92Å; L13-S15 PolarHBondContact O-N 2.93Å | ||
| 14 | V | 54.5 | Low | 51.6 | Low | 129 Ų | 129 | 142.8 Ų | 142.8 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 106.3 | 169.1 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | T12 | T12-V14 HydrophobicContact CG2-CG2 4.43Å; T12-V14 PolarHBondContact O-N 3.05Å | ||
| 15 | S | 50.6 | Low | 51 | Low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -62.1 | 129 | 179.4 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | L13 K17 | L13-S15 PolarHBondContact O-N 2.93Å; S15-K17 PolarHBondContact O-N 3.3Å | ||
| 16 | P | 54.2 | Low | 49.8 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -69 | 123 | 179.9 | 27.4 | -33.7 | 0 | 0 | 0 | 110.8 | I18 | P16-I18 VanDerWaalsContact C-N 3.32Å; P16-I18 HydrophobicContact CB-CG1 4.47Å; P16-I18 PolarHBondContact O-N 3.05Å | ||
| 17 | K | 47.8 | Very low | 49.1 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -79.8 | 77.2 | -177.9 | -157.7 | 171.2 | -173.3 | 175 | 0 | 110.5 | S15 S19 | S15-K17 PolarHBondContact O-N 3.3Å; K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 3.39Å | ||
| 18 | I | 50.5 | Low | 48.5 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 87.5 | -179.2 | -57.1 | 178.8 | 0 | 0 | 0 | 109.7 | P16 | P16-I18 VanDerWaalsContact C-N 3.32Å; P16-I18 HydrophobicContact CB-CG1 4.47Å; P16-I18 PolarHBondContact O-N 3.05Å | ||
| 19 | S | 42.5 | Very low | 47.9 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -103.9 | 65.9 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 112 | K17 | K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 3.39Å | ||
| 20 | R | 51.7 | Low | 47.1 | Very low | 220 Ų | 220 | 148.8 Ų | 148.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -141.5 | 137 | 165.8 | -68.2 | -170 | 178.7 | -176.4 | -0.4 | 110.3 | ||
| 21 | P | 45.2 | Very low | 46.4 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 139 | 169.9 | 29.5 | -33.5 | 0 | 0 | 0 | 109.7 | E23 | P21-E23 PolarHBondContact O-N 3.48Š| ||
| 22 | I | 48.7 | Very low | 45.5 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 109.9 | 174.7 | -61.9 | 176.5 | 0 | 0 | 0 | 108.2 | R24 | I22-R24 PolarHBondContact O-N 3.11Š| ||
| 23 | E | 43.7 | Very low | 44.8 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -67.2 | 123.3 | 175.1 | -165.5 | 164.7 | -144.9 | 0 | 0 | 110 | P21 T25 | P21-E23 PolarHBondContact O-N 3.48Å; E23-T25 PolarHBondContact O-N 3.3Å | ||
| 24 | R | 44.5 | Very low | 44.4 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -83.4 | 77.7 | -175.5 | -84.1 | -176.4 | 163.4 | 147.7 | -4.9 | 111.4 | I22 A26 | I22-R24 PolarHBondContact O-N 3.11Å; R24-A26 PolarHBondContact O-N 3.23Å | ||
| 25 | T | 41.6 | Very low | 43.6 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -61.2 | 123.2 | 169.8 | -47 | 0 | 0 | 0 | 0 | 110.3 | E23 Q27 | E23-T25 PolarHBondContact O-N 3.3Å; T25-Q27 PolarHBondContact O-N 2.8Å | ||
| 26 | A | 39.3 | Very low | 43 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 116.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R24 | R24-A26 PolarHBondContact O-N 3.23Š| ||
| 27 | Q | 41.5 | Very low | 42.2 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 102.7 | 172.3 | -71.3 | -159.5 | -54.5 | 0 | 0 | 112 | T25 | T25-Q27 PolarHBondContact O-N 2.8Š| ||
| 28 | V | 43.6 | Very low | 42 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 24.3 | 115.3 | 143.7 | -170 | 0 | 0 | 0 | 0 | 117.2 | R30 | V28-R30 PolarHBondContact O-N 2.65Š| ||
| 29 | S | 36.7 | Very low | 41.2 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -57.3 | 124 | 171.7 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 30 | R | 38.2 | Very low | 40.8 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -116.7 | 123.4 | 168.7 | -85.1 | -178.4 | 163.7 | 166.3 | -4.7 | 110.5 | V28 | V28-R30 PolarHBondContact O-N 2.65Š| ||
| 31 | G | 38.8 | Very low | 40.2 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 105.8 | 143.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 32 | P | 37 | Very low | 39.6 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 156.3 | 166.6 | 31.5 | -34.7 | 0 | 0 | 0 | 110.1 | V34 | P32-V34 PolarHBondContact O-N 3.18Å; P32-V34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | P | 40.6 | Very low | 39 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -63.8 | 116.7 | 179.3 | 26.1 | -34 | 0 | 0 | 0 | 110.7 | R35 | P33-R35 PolarHBondContact O-N 3.35Š| ||
| 34 | V | 42.2 | Very low | 38.5 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 102.5 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | P32 S36 | P32-V34 PolarHBondContact O-N 3.18Å; P32-V34 VanDerWaalsContact O-N 3.12Å; V34-S36 PolarHBondContact O-N 3.37Å | ||
| 35 | R | 36.3 | Very low | 38.4 | Very low | 228 Ų | 228 | 132.5 Ų | 132.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -65 | 123.9 | 174.9 | -73.4 | -173.3 | 171.7 | -163 | -3.5 | 109 | P33 M37 | P33-R35 PolarHBondContact O-N 3.35Å; R35-M37 PolarHBondContact O-N 2.92Å | ||
| 36 | S | 38.6 | Very low | 38 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 120.4 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | V34 L38 | V34-S36 PolarHBondContact O-N 3.37Å; S36-L38 PolarHBondContact O-N 2.65Å; S36-L38 WeakPolarHBondContact OG-CB 3.43Å | ||
| 37 | M | 38.4 | Very low | 37.7 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 42.2 | 177 | -62 | -168.7 | -64.4 | 0 | 0 | 112.1 | R35 | R35-M37 PolarHBondContact O-N 2.92Š|
| 38 | L | 42 | Very low | 37.4 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -2.6 | -174.5 | -158.7 | 65.5 | 0 | 0 | 0 | 113.1 | S36 | S36-L38 PolarHBondContact O-N 2.65Å; S36-L38 WeakPolarHBondContact OG-CB 3.43Å |
| 39 | E | 34.7 | Very low | 36.6 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -99.2 | 5.6 | -176.7 | -61.4 | 179.1 | 146.8 | 0 | 0 | 113.3 | ||
| 40 | G | 33.2 | Very low | 36.5 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -112.8 | -2.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 41 | V | 39.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -129.7 | 53.4 | -170.1 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 42 | S | 33.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 31.7 | -177.4 | -57.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 43 | S | 34.4 | Very low | 35.4 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -137.6 | 115.3 | 174.4 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 44 | G | 33.5 | Very low | 34.7 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 139.7 | -34.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | H46 | G44-H46 PolarHBondContact O-N 3.19Š|
| 45 | L | 43 | Very low | 34.3 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | trans | -96.1 | 56 | -167.5 | -89.1 | 155.9 | 0 | 0 | 0 | 114.9 | L48 | L45-L48 HydrophobicContact CD2-CD1 3.8Å; L45-L48 HydrophobicContact CD2-CG 4.15Å | ||
| 46 | H | 33 | Very low | 34.1 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -91.8 | 92.2 | 165.5 | -58.6 | -79 | 0 | 0 | 0 | 110.1 | G44 | G44-H46 PolarHBondContact O-N 3.19Š| ||
| 47 | G | 32.1 | Very low | 33.8 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 162.3 | -25.8 | 169 | 0 | 0 | 0 | 0 | 0 | 118.2 | S49 | G47-S49 PolarHBondContact O-N 3.35Š|
| 48 | L | 35.6 | Very low | 33.5 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -87.8 | 94.1 | -173.6 | -59.6 | -174.3 | 0 | 0 | 0 | 112.1 | L45 | L45-L48 HydrophobicContact CD2-CD1 3.8Å; L45-L48 HydrophobicContact CD2-CG 4.15Å | ||
| 49 | S | 27.4 | Very low | 33 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -78 | 128.6 | 172.5 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | G47 V51 | G47-S49 PolarHBondContact O-N 3.35Å; S49-V51 PolarHBondContact O-N 3.31Å; S49-V51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | P | 34.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -65.9 | 112.9 | -177.5 | -23.2 | 34.3 | 0 | 0 | 0 | 113.2 | R52 | P50-R52 PolarHBondContact O-N 3.28Å; P50-R52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | V | 29 | Very low | 33.2 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | trans | -71.2 | 106.5 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 109 | S49 Y53 | S49-V51 PolarHBondContact O-N 3.31Å; S49-V51 VanDerWaalsContact O-N 3.15Å; V51-Y53 HydrophobicContact CB-CE2 4.16Å; V51-Y53 HydrophobicContact CG1-CD2 4.02Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; V51-Y53 PolarHBondContact O-N 3.36Å | ||
| 52 | R | 30.1 | Very low | 33 | Very low | 242 Ų | 242 | 132.2 Ų | 132.2 | 91% | 0.913 | 73% | 0.732 | S | S | * | * | trans | -74 | 102.6 | 175.2 | -65.6 | -179 | 179.4 | -125.7 | 0.5 | 109.9 | P50 | P50-R52 PolarHBondContact O-N 3.28Å; P50-R52 VanDerWaalsContact O-N 3.15Å | ||
| 53 | Y | 30.9 | Very low | 33.1 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -80.2 | 133.3 | 166.1 | -75.6 | -79.3 | 0 | 0 | 0 | 110.5 | V51 L55 | V51-Y53 HydrophobicContact CB-CE2 4.16Å; V51-Y53 HydrophobicContact CG1-CD2 4.02Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; V51-Y53 PolarHBondContact O-N 3.36Å; Y53-L55 PolarHBondContact O-N 3.05Å | ||
| 54 | D | 27.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 58% | 0.583 | 70% | 0.7 | S | S | * | * | trans | -80.1 | 111.2 | -176.9 | -168.6 | -20.5 | 0 | 0 | 0 | 111.3 | T56 S57 | D54-T56 PolarHBondContact O-N 3.44Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.47Å; D54-T56 VanDerWaalsContact OD1-CG2 3.26Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.26Å; D54-T56 PolarHBondContact OD1-N 3Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; D54-T56 PolarHBondContact OD2-OG1 2.83Å; D54-S57 PolarHBondContact O-OG 3.12Å | ||
| 55 | L | 33.4 | Very low | 32.6 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -75.5 | -4.1 | -179 | -74.7 | 160.7 | 0 | 0 | 0 | 114 | Y53 S57 A131 | Y53-L55 PolarHBondContact O-N 3.05Å; L55-S57 PolarHBondContact O-N 3Å; L55-A131 HydrophobicContact CD1-CB 3.68Å |
| 56 | T | 31.5 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -71.1 | -11 | 179.5 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | D54 | D54-T56 PolarHBondContact O-N 3.44Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.47Å; D54-T56 VanDerWaalsContact OD1-CG2 3.26Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.26Å; D54-T56 PolarHBondContact OD1-N 3Å; D54-T56 PolarHBondContact OD1-OG1 2.83Å; D54-T56 PolarHBondContact OD2-OG1 2.83Å |
| 57 | S | 32 | Very low | 31.9 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -119.4 | 6.6 | -159 | 61.5 | 0 | 0 | 0 | 0 | 116.6 | D54 L55 | D54-S57 PolarHBondContact O-OG 3.12Å; L55-S57 PolarHBondContact O-N 3Å |
| 58 | R | 31.7 | Very low | 31.6 | Very low | 213 Ų | 213 | 133 Ų | 133 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -135.9 | 132 | 170.5 | -85.4 | -173 | -82.7 | -172.2 | -4.1 | 112.4 | L60 | R58-L60 PolarHBondContact O-N 3.18Š|
| 59 | N | 31.9 | Very low | 31 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 125.3 | 178.7 | -67.4 | -49.8 | 0 | 0 | 0 | 111.2 | S61 | N59-S61 PolarHBondContact O-N 3.45Š| ||
| 60 | L | 36.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 134 Ų | 134 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | trans | -71.5 | 93 | 165 | -69.2 | 179.1 | 0 | 0 | 0 | 108.6 | R58 K62 Y139 | R58-L60 PolarHBondContact O-N 3.18Å; L60-K62 PolarHBondContact O-N 3Å; L60-Y139 HydrophobicContact CB-CE1 4.01Å; L60-Y139 HydrophobicContact CD2-CE1 4.3Å | ||
| 61 | S | 35.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -75.2 | 112.2 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | N59 G63 | N59-S61 PolarHBondContact O-N 3.45Å; S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.17Å | ||
| 62 | K | 35.5 | Very low | 30.3 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | trans | -57.3 | 118.2 | 169.9 | -178.4 | 177 | -178.7 | 176.3 | 0 | 109.2 | L60 | L60-K62 PolarHBondContact O-N 3Š| ||
| 63 | G | 36.3 | Very low | 30.1 | Very low | 45 Ų | 45 | 133 Ų | 133 | 46% | 0.464 | 72% | 0.716 | S | S | . | * | trans | -65.7 | 135.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | S61 | S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.17Å | ||
| 64 | G | 28.4 | Very low | 29.9 | Very low | 49 Ų | 49 | 128.5 Ų | 128.5 | 51% | 0.505 | 71% | 0.711 | S | S | . | * | trans | -116.5 | 136.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F66 | G64-F66 PolarHBondContact O-N 2.98Š| ||
| 65 | D | 29 | Very low | 29.9 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 89% | 0.893 | 72% | 0.719 | S | S | * | * | trans | 40.7 | 55.6 | 155 | -56.1 | -2.4 | 0 | 0 | 0 | 117.8 | S67 | D65-S67 PolarHBondContact O-N 3.3Š| ||
| 66 | F | 35 | Very low | 29.8 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | -82.3 | 98.4 | 165.9 | -85.4 | -82.3 | 0 | 0 | 0 | 111.6 | G64 M72 | G64-F66 PolarHBondContact O-N 2.98Å; F66-M72 HydrophobicContact CD1-CE 3.6Å; F66-M72 HydrophobicContact CE1-CE 3.48Å; F66-M72 VanDerWaalsContact CE1-CE 3.48Å; F66-M72 HydrophobicContact CG-CE 4.19Å; F66-M72 HydrophobicContact CZ-CE 3.98Å | ||
| 67 | S | 24.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -63.5 | 134.7 | 165.8 | -70.6 | 0 | 0 | 0 | 0 | 110.5 | D65 T69 | D65-S67 PolarHBondContact O-N 3.3Å; S67-T69 VanDerWaalsContact C-N 3.29Å; S67-T69 PolarHBondContact O-N 3.49Å | ||
| 68 | L | 25.8 | Very low | 29.7 | Very low | 179 Ų | 179 | 131 Ų | 131 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -74.5 | 68.8 | -171.1 | -71 | 168.6 | 0 | 0 | 0 | 113.8 | ||
| 69 | T | 22.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -143.5 | 134 | 170.4 | 53 | 0 | 0 | 0 | 0 | 111.6 | S67 | S67-T69 VanDerWaalsContact C-N 3.29Å; S67-T69 PolarHBondContact O-N 3.49Å | ||
| 70 | N | 24.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 66 | 113.2 | 173.7 | -78.6 | -0.4 | 0 | 0 | 0 | 118.9 | ||
| 71 | T | 24.9 | Very low | 28.9 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 37.5 | 93.5 | 133.5 | 58.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 72 | M | 27.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | trans | -109.6 | 109.2 | 166.1 | -151.2 | -177.9 | -57.1 | 0 | 0 | 109.9 | F66 C74 | F66-M72 HydrophobicContact CD1-CE 3.6Å; F66-M72 HydrophobicContact CE1-CE 3.48Å; F66-M72 VanDerWaalsContact CE1-CE 3.48Å; F66-M72 HydrophobicContact CG-CE 4.19Å; F66-M72 HydrophobicContact CZ-CE 3.98Å; M72-C74 PolarHBondContact O-N 3.18Å | ||
| 73 | E | 26.7 | Very low | 28.2 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -76.8 | 102.1 | -174.4 | -63.4 | -178.7 | 152.5 | 0 | 0 | 111.1 | T75 | E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.91Å | ||
| 74 | C | 26.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -74.3 | 78.5 | -179.8 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | M72 T76 | M72-C74 PolarHBondContact O-N 3.18Å; C74-T76 PolarHBondContact O-N 3.2Å | ||
| 75 | T | 26.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -68 | 95 | 176.2 | 20.3 | 0 | 0 | 0 | 0 | 111.1 | E73 N77 | E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 2.91Å; T75-N77 PolarHBondContact O-N 3.09Å | ||
| 76 | T | 31.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -71.4 | 109.1 | 172.6 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | C74 S78 | C74-T76 PolarHBondContact O-N 3.2Å; T76-S78 PolarHBondContact O-N 3.43Å | ||
| 77 | N | 29.1 | Very low | 27.5 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 61.1 | 175.9 | -74.8 | -33.6 | 0 | 0 | 0 | 112.2 | T75 | T75-N77 PolarHBondContact O-N 3.09Š| ||
| 78 | S | 32.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -80 | 126.6 | 161.3 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | T76 V80 | T76-S78 PolarHBondContact O-N 3.43Å; S78-V80 VanDerWaalsContact C-N 3.31Å; S78-V80 PolarHBondContact O-N 3.22Å | ||
| 79 | G | 26.7 | Very low | 27.5 | Very low | 85 Ų | 85 | 137 Ų | 137 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -74 | 72.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 80 | V | 28.8 | Very low | 27.7 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | trans | -129.2 | 103.6 | 172.9 | -160.2 | 0 | 0 | 0 | 0 | 109.8 | S78 R82 | S78-V80 VanDerWaalsContact C-N 3.31Å; S78-V80 PolarHBondContact O-N 3.22Å; V80-R82 HydrophobicContact CG1-CG 4.08Å; V80-R82 PolarHBondContact O-N 3.41Å | ||
| 81 | N | 27.3 | Very low | 28 | Very low | 174 Ų | 174 | 138 Ų | 138 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 69.7 | 178.5 | -73.6 | -46.9 | 0 | 0 | 0 | 112.1 | R83 | N81-R83 PolarHBondContact O-N 3.24Š| ||
| 82 | R | 29.5 | Very low | 28.3 | Very low | 224 Ų | 224 | 139.2 Ų | 139.2 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -90.1 | 86.7 | 166.6 | -67.8 | -166.1 | -174.1 | -174.1 | 3.8 | 109.5 | V80 L84 | V80-R82 HydrophobicContact CG1-CG 4.08Å; V80-R82 PolarHBondContact O-N 3.41Å; R82-L84 PolarHBondContact O-N 2.83Å | ||
| 83 | R | 28.8 | Very low | 28.3 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -47.3 | 123.8 | 166.5 | -170.8 | 174 | -172.5 | -109.9 | 1.6 | 108.7 | N81 D85 | N81-R83 PolarHBondContact O-N 3.24Å; R83-D85 WeakPolarHBondContact CD-OD2 3.32Å; R83-D85 WeakPolarHBondContact CG-OD2 3.3Å; R83-D85 IonicContact CZ-OD1 2.78Å; R83-D85 IonicContact CZ-OD2 2.68Å; R83-D85 IonicContact NE-OD2 3.45Å; R83-D85 IonicContact NH1-OD1 3.49Å; R83-D85 PolarHBondContact NH1-OD1 2.99Å; R83-D85 IonicContact NH1-OD2 3.69Å; R83-D85 PolarHBondContact NH1-OD2 3Å; R83-D85 PolarHBondContact O-N 3.43Å | ||
| 84 | L | 28 | Very low | 28.4 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | trans | -77.3 | 66.6 | 179.5 | -169.6 | 73.9 | 0 | 0 | 0 | 109.8 | R82 | R82-L84 PolarHBondContact O-N 2.83Š| ||
| 85 | D | 30.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 56% | 0.556 | 78% | 0.775 | S | S | * | * | trans | -74 | 130.1 | 170.5 | -78 | -58.3 | 0 | 0 | 0 | 109.7 | R83 | R83-D85 WeakPolarHBondContact CD-OD2 3.32Å; R83-D85 WeakPolarHBondContact CG-OD2 3.3Å; R83-D85 IonicContact CZ-OD1 2.78Å; R83-D85 IonicContact CZ-OD2 2.68Å; R83-D85 IonicContact NE-OD2 3.45Å; R83-D85 IonicContact NH1-OD1 3.49Å; R83-D85 PolarHBondContact NH1-OD1 2.99Å; R83-D85 IonicContact NH1-OD2 3.69Å; R83-D85 PolarHBondContact NH1-OD2 3Å; R83-D85 PolarHBondContact O-N 3.43Å | ||
| 86 | I | 26.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -73.3 | 159.2 | 176.2 | -49.4 | 169.1 | 0 | 0 | 0 | 108.2 | ||||
| 87 | I | 27.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 97.9 | 124.3 | 167.5 | -51.8 | 154.3 | 0 | 0 | 0 | 115 | ||||
| 88 | G | 24.5 | Very low | 28.7 | Very low | 65 Ų | 65 | 148.4 Ų | 148.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 110.6 | 99.9 | 134.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 89 | N | 27 | Very low | 28.4 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 22.8 | 131.5 | 135.8 | -86 | 64.2 | 0 | 0 | 0 | 122.3 | ||||
| 90 | D | 27.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 77.1 | 152.3 | 140.3 | -52.6 | -31.8 | 0 | 0 | 0 | 120.9 | ||||
| 91 | D | 30.5 | Very low | 28.9 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 56.4 | 61.3 | 162.9 | -63.9 | -15.9 | 0 | 0 | 0 | 120.7 | ||||
| 92 | I | 31.8 | Very low | 29.2 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | trans | -133 | 86.1 | 139.7 | -51 | -179.1 | 0 | 0 | 0 | 110.8 | S94 | I92-S94 WeakPolarHBondContact CG2-OG 3.46Š| ||
| 93 | Q | 26.6 | Very low | 29.6 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | trans | -87.3 | 103.3 | 154.3 | -81.2 | -164 | -4.4 | 0 | 0 | 109.2 | ||||
| 94 | S | 29.8 | Very low | 29.9 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | trans | -157 | 113.4 | 164.7 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | I92 | I92-S94 WeakPolarHBondContact CG2-OG 3.46Š| ||
| 95 | E | 28.8 | Very low | 30.2 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | 62 | 63.9 | 136.6 | -153.4 | 165 | -157.8 | 0 | 0 | 117.5 | ||||
| 96 | L | 30.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -132.1 | 67.3 | 162.8 | -92.6 | 171.3 | 0 | 0 | 0 | 110.7 | F98 | L96-F98 PolarHBondContact O-N 3.1Š| ||
| 97 | D | 27.9 | Very low | 31.2 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -98.7 | 78 | 179.9 | -168.5 | 14.6 | 0 | 0 | 0 | 111.4 | ||||
| 98 | F | 31.3 | Very low | 31.9 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 91% | 0.908 | 73% | 0.733 | S | S | * | * | trans | -148.7 | 58.3 | 172.3 | -89.8 | -72.7 | 0 | 0 | 0 | 110.7 | L96 E100 | L96-F98 PolarHBondContact O-N 3.1Å; F98-E100 PolarHBondContact O-N 3.21Å | ||
| 99 | S | 26.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -86.5 | 85.7 | 173.6 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 100 | E | 34.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -95.7 | 130.2 | 142.8 | -75.9 | -165.5 | 112.7 | 0 | 0 | 107.7 | F98 L102 | F98-E100 PolarHBondContact O-N 3.21Å; E100-L102 PolarHBondContact O-N 3.49Å | ||
| 101 | D | 31.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | trans | -72.4 | 72.5 | -173.5 | -72.5 | -56.5 | 0 | 0 | 0 | 112.5 | N103 | D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.45Å | ||
| 102 | L | 34.8 | Very low | 36.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | trans | -65.2 | 87.9 | 168 | -66.5 | -178.4 | 0 | 0 | 0 | 109.4 | E100 P104 | E100-L102 PolarHBondContact O-N 3.49Å; L102-P104 WeakPolarHBondContact O-CD 3.49Å; L102-P104 VanDerWaalsContact O-N 3.14Å | ||
| 103 | N | 37 | Very low | 37.4 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | trans | -71.7 | 102.2 | 179.7 | -172.1 | -28.4 | 0 | 0 | 0 | 108.8 | D101 Q105 R106 | D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.45Å; N103-Q105 PolarHBondContact O-N 2.97Å; N103-R106 PolarHBondContact O-N 3.18Å | ||
| 104 | P | 35.6 | Very low | 39 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.7 | -11 | -160.5 | 29.9 | -36.9 | 0 | 0 | 0 | 113 | L102 L108 | L102-P104 WeakPolarHBondContact O-CD 3.49Å; L102-P104 VanDerWaalsContact O-N 3.14Å; P104-L108 WeakPolarHBondContact O-CD1 3.31Å; P104-L108 WeakPolarHBondContact O-CG 3.36Å |
| 105 | Q | 34.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 79% | 0.785 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -90.3 | -0 | 178.5 | -143.9 | 162.9 | 24.6 | 0 | 0 | 113.4 | N103 | N103-Q105 PolarHBondContact O-N 2.97Å |
| 106 | R | 38 | Very low | 41.6 | Very low | 196 Ų | 196 | 104 Ų | 104 | 74% | 0.74 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -108.9 | -34.2 | 170.4 | -74 | -168.2 | 174 | -163.4 | -0.2 | 113.7 | N103 L108 D109 | N103-R106 PolarHBondContact O-N 3.18Å; R106-L108 PolarHBondContact O-N 2.83Å; R106-D109 PolarHBondContact O-N 3.26Å |
| 107 | D | 39.3 | Very low | 42.8 | Very low | 71 Ų | 71 | 98.4 Ų | 98.4 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.9 | -22.2 | -175.9 | -63.9 | -37.6 | 0 | 0 | 0 | 113.1 | D109 S110 | D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 3.35Å; D107-S110 WeakPolarHBondContact O-CB 3.45Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-S110 PolarHBondContact O-OG 3.11Å |
| 108 | L | 40.8 | Very low | 44.3 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -33 | 177.1 | -71.4 | 167.4 | 0 | 0 | 0 | 114 | P104 R106 | P104-L108 WeakPolarHBondContact O-CD1 3.31Å; P104-L108 WeakPolarHBondContact O-CG 3.36Å; R106-L108 PolarHBondContact O-N 2.83Å |
| 109 | D | 43.2 | Very low | 45.6 | Very low | 113 Ų | 113 | 87.9 Ų | 87.9 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.1 | -25.8 | 175.1 | -76.4 | -25.6 | 0 | 0 | 0 | 112 | R106 D107 A111 C112 | R106-D109 PolarHBondContact O-N 3.26Å; D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 3.35Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.29Å; D109-C112 PolarHBondContact O-N 3.5Å; D109-C112 PolarHBondContact O-SG 2.9Å |
| 110 | S | 46.2 | Very low | 47.2 | Very low | 89 Ų | 89 | 87.8 Ų | 87.8 | 62% | 0.622 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.2 | -30.7 | -177.2 | 79 | 0 | 0 | 0 | 0 | 113.1 | D107 C112 | D107-S110 WeakPolarHBondContact O-CB 3.45Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-S110 PolarHBondContact O-OG 3.11Å; S110-C112 PolarHBondContact O-N 3.3Å |
| 111 | A | 53.9 | Low | 48.8 | Very low | 30 Ų | 30 | 87.8 Ų | 87.8 | 25% | 0.248 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D109 L151 | D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.29Å; A111-L151 HydrophobicContact CB-CB 4.25Å; A111-L151 WeakPolarHBondContact CB-O 3.16Å; A111-L151 WeakPolarHBondContact O-CG 3.06Å |
| 112 | C | 58.5 | Low | 50.4 | Low | 29 Ų | 29 | 81.8 Ų | 81.8 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | trans | -108.9 | 143.7 | -169.1 | 96.5 | 0 | 0 | 0 | 0 | 116 | D109 S110 L149 | D109-C112 PolarHBondContact O-N 3.5Å; D109-C112 PolarHBondContact O-SG 2.9Å; S110-C112 PolarHBondContact O-N 3.3Å; C112-L149 WeakPolarHBondContact CA-O 3.4Å; C112-L149 WeakPolarHBondContact CB-O 3.12Å | ||
| 113 | V | 56.6 | Low | 51.9 | Low | 22 Ų | 22 | 76.4 Ų | 76.4 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | -179.1 | -171 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | L149 I160 A161 | V113-L149 HydrophobicContact CB-CD1 4.47Å; V113-L149 HydrophobicContact CG2-CB 3.77Å; V113-L149 HydrophobicContact CG2-CD1 3.79Å; V113-L149 HydrophobicContact CG2-CG 4.35Å; V113-L149 PolarHBondContact N-O 2.88Å; V113-L149 VanDerWaalsContact O-CB 3.26Å; V113-L149 WeakPolarHBondContact O-CB 3.37Å; V113-L149 WeakPolarHBondContact O-CG 3.33Å; V113-L149 PolarHBondContact O-N 3.27Å; V113-L149 VanDerWaalsContact O-N 3.16Å; V113-I160 VanDerWaalsContact CB-O 3.23Å; V113-I160 WeakPolarHBondContact CB-O 3.1Å; V113-I160 WeakPolarHBondContact CG1-O 3.21Å; V113-A161 HydrophobicContact CG1-CB 4.27Å |
| 114 | T | 60.7 | Low | 53.5 | Low | 12 Ų | 12 | 75.7 Ų | 75.7 | 7% | 0.074 | 42% | 0.421 | C | S | . | . | trans | -157.3 | -177.2 | 177.9 | -37.9 | 0 | 0 | 0 | 0 | 109.4 | Y147 V162 R163 | T114-Y147 VanDerWaalsContact CG2-O 3.24Å; T114-Y147 WeakPolarHBondContact CG2-O 2.95Å; T114-Y147 PolarHBondContact OG1-O 3.29Å; T114-V162 CarbonylContact C-O 3.05Å; T114-V162 VanDerWaalsContact CA-O 3.31Å; T114-V162 WeakPolarHBondContact CA-O 3.21Å; T114-V162 WeakPolarHBondContact CB-O 3.44Å; T114-V162 WeakPolarHBondContact O-CB 3.34Å; T114-V162 WeakPolarHBondContact O-CG2 3.44Å; T114-R163 VanDerWaalsContact CB-CG 3.47Å; T114-R163 HydrophobicContact CG2-CG 3.76Å; T114-R163 PolarHBondContact OG1-NE 2.87Å; T114-R163 PolarHBondContact OG1-NH2 3.31Å | ||
| 115 | V | 58.6 | Low | 55.4 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | trans | -93.7 | 123 | 174 | -120.4 | 0 | 0 | 0 | 0 | 119.5 | F118 I126 F130 V162 R163 Q164 | V115-F118 HydrophobicContact CB-CD1 4.09Å; V115-F118 HydrophobicContact CB-CE1 3.84Å; V115-F118 HydrophobicContact CG1-CD1 4.5Å; V115-I126 HydrophobicContact CG1-CG2 3.88Å; V115-I126 HydrophobicContact CG2-CG2 4.49Å; V115-F130 HydrophobicContact CG1-CE2 4.43Å; V115-F130 HydrophobicContact CG1-CZ 4.18Å; V115-V162 VanDerWaalsContact C-C 3.45Å; V115-V162 CarbonylContact C-O 2.76Å; V115-V162 HydrophobicContact CB-CB 4.44Å; V115-V162 HydrophobicContact CG1-CB 3.85Å; V115-V162 HydrophobicContact CG1-CG1 3.87Å; V115-V162 HydrophobicContact CG1-CG2 4.1Å; V115-V162 PolarHBondContact N-O 3.25Å; V115-V162 VanDerWaalsContact N-O 3.07Å; V115-R163 CarbonylContact O-C 3.51Å; V115-R163 WeakPolarHBondContact O-CA 3.24Å; V115-Q164 WeakPolarHBondContact O-CA 3.45Å; V115-Q164 WeakPolarHBondContact O-CB 3.44Å; V115-Q164 PolarHBondContact O-N 3.37Å | ||
| 116 | F | 54 | Low | 57.1 | Low | 54 Ų | 54 | 67.8 Ų | 67.8 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | trans | -84.2 | 146 | 163.1 | -82.2 | -59.1 | 0 | 0 | 0 | 111 | F118 V162 R163 L165 F178 W184 | F116-F118 VanDerWaalsContact C-N 3.31Å; F116-F118 WeakPolarHBondContact O-CD1 3.43Å; F116-F118 PolarHBondContact O-N 2.69Å; F116-V162 HydrophobicContact CB-CB 4.25Å; F116-V162 HydrophobicContact CB-CG1 3.64Å; F116-V162 HydrophobicContact CD2-CB 3.88Å; F116-V162 HydrophobicContact CD2-CG1 3.17Å; F116-V162 HydrophobicContact CE2-CB 4.49Å; F116-V162 HydrophobicContact CE2-CG1 4.03Å; F116-V162 HydrophobicContact CG-CB 4.12Å; F116-V162 HydrophobicContact CG-CG1 3.64Å; F116-V162 VanDerWaalsContact N-CB 3.3Å; F116-R163 WeakPolarHBondContact CD1-O 3.47Å; F116-L165 HydrophobicContact CD1-CD1 4.25Å; F116-L165 HydrophobicContact CE1-CD1 4.13Å; F116-F178 HydrophobicContact CZ-CD2 4.33Å; F116-F178 HydrophobicContact CZ-CE2 4.36Å; F116-W184 HydrophobicContact CD2-CZ2 4.46Å | ||
| 117 | G | 55.9 | Low | 58.8 | Low | 59 Ų | 59 | 59.6 Ų | 59.6 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 54.6 | 30.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 118 | F | 59.6 | Low | 60.4 | Low | 43 Ų | 43 | 63.7 Ų | 63.7 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | trans | -117.9 | 160.5 | -176.7 | 72.9 | -69.3 | 0 | 0 | 0 | 111.5 | V115 F116 A123 I126 Q164 | V115-F118 HydrophobicContact CB-CD1 4.09Å; V115-F118 HydrophobicContact CB-CE1 3.84Å; V115-F118 HydrophobicContact CG1-CD1 4.5Å; F116-F118 VanDerWaalsContact C-N 3.31Å; F116-F118 WeakPolarHBondContact O-CD1 3.43Å; F116-F118 PolarHBondContact O-N 2.69Å; F118-A123 HydrophobicContact CD2-CB 4.21Å; F118-A123 HydrophobicContact CE2-CB 3.7Å; F118-I126 HydrophobicContact CB-CD1 3.28Å; F118-I126 HydrophobicContact CD2-CD1 3.9Å; F118-I126 HydrophobicContact CG-CD1 3.74Å; F118-Q164 HydrophobicContact CD1-CG 4.04Å; F118-Q164 HydrophobicContact CE1-CB 4.48Å; F118-Q164 HydrophobicContact CE1-CG 3.87Å; F118-Q164 PolarHBondContact O-NE2 3.19Å | ||
| 119 | D | 57.4 | Low | 62 | Low | 85 Ų | 85 | 63.4 Ų | 63.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | trans | -92 | 168.9 | 172.3 | 60.5 | 47.4 | 0 | 0 | 0 | 111.8 | E121 T122 | D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.27Å; D119-T122 VanDerWaalsContact CG-OG1 3.31Å; D119-T122 PolarHBondContact N-OG1 3.29Å; D119-T122 PolarHBondContact O-OG1 3.45Å; D119-T122 WeakPolarHBondContact OD1-CB 3.39Å; D119-T122 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T122 PolarHBondContact OD1-N 2.93Å; D119-T122 PolarHBondContact OD1-OG1 2.76Å | ||
| 120 | S | 61.4 | Low | 63.4 | Low | 102 Ų | 102 | 58.8 Ų | 58.8 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.5 | -179.6 | 49 | 0 | 0 | 0 | 0 | 114.4 | ||
| 121 | E | 67.9 | Low | 64.6 | Low | 176 Ų | 176 | 56 Ų | 56 | 82% | 0.822 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -32 | -176.5 | -59.2 | -175.7 | -171.6 | 0 | 0 | 111.4 | D119 | D119-E121 PolarHBondContact O-N 2.96Å; D119-E121 PolarHBondContact OD1-N 3.27Å |
| 122 | T | 65.1 | Low | 65.7 | Low | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7.7 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | D119 D124 M125 I126 | D119-T122 VanDerWaalsContact CG-OG1 3.31Å; D119-T122 PolarHBondContact N-OG1 3.29Å; D119-T122 PolarHBondContact O-OG1 3.45Å; D119-T122 WeakPolarHBondContact OD1-CB 3.39Å; D119-T122 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T122 PolarHBondContact OD1-N 2.93Å; D119-T122 PolarHBondContact OD1-OG1 2.76Å; T122-D124 PolarHBondContact O-N 2.76Å; T122-M125 HydrophobicContact CG2-CE 3.82Å; T122-M125 WeakPolarHBondContact O-CB 3.19Å; T122-M125 PolarHBondContact O-N 3.05Å; T122-I126 WeakPolarHBondContact O-CG1 3.48Å; T122-I126 PolarHBondContact O-N 3.05Å |
| 123 | A | 65.9 | Low | 66.2 | Low | 20 Ų | 20 | 62.8 Ų | 62.8 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -47.2 | -53.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | F118 M125 I126 L127 | F118-A123 HydrophobicContact CD2-CB 4.21Å; F118-A123 HydrophobicContact CE2-CB 3.7Å; A123-M125 PolarHBondContact O-N 3.48Å; A123-I126 PolarHBondContact O-N 3.21Å; A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.35Å |
| 124 | D | 69.5 | Low | 66.5 | Low | 77 Ų | 77 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 179.3 | -97.2 | 27.1 | 0 | 0 | 0 | 112.9 | T122 I126 R128 | T122-D124 PolarHBondContact O-N 2.76Å; D124-I126 VanDerWaalsContact C-N 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.23Å; D124-R128 WeakPolarHBondContact O-CD 3.46Å; D124-R128 WeakPolarHBondContact O-CG 2.93Å; D124-R128 PolarHBondContact O-N 3.26Å; D124-R128 IonicContact OD2-NH2 2.8Å; D124-R128 PolarHBondContact OD2-NH2 2.79Å |
| 125 | M | 75.2 | Confident | 66.8 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.5 | 179.9 | -179.2 | 69.9 | 0 | 0 | 110.4 | T122 A123 R128 K129 | T122-M125 HydrophobicContact CG2-CE 3.82Å; T122-M125 WeakPolarHBondContact O-CB 3.19Å; T122-M125 PolarHBondContact O-N 3.05Å; A123-M125 PolarHBondContact O-N 3.48Å; M125-R128 PolarHBondContact O-N 3.3Å; M125-K129 WeakPolarHBondContact O-CG 3.41Å; M125-K129 PolarHBondContact O-N 2.98Å |
| 126 | I | 70.5 | Confident | 67.4 | Low | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.2 | -42.5 | -179.3 | -61.2 | 163.1 | 0 | 0 | 0 | 110.5 | V115 F118 T122 A123 D124 R128 K129 F130 | V115-I126 HydrophobicContact CG1-CG2 3.88Å; V115-I126 HydrophobicContact CG2-CG2 4.49Å; F118-I126 HydrophobicContact CB-CD1 3.28Å; F118-I126 HydrophobicContact CD2-CD1 3.9Å; F118-I126 HydrophobicContact CG-CD1 3.74Å; T122-I126 WeakPolarHBondContact O-CG1 3.48Å; T122-I126 PolarHBondContact O-N 3.05Å; A123-I126 PolarHBondContact O-N 3.21Å; D124-I126 VanDerWaalsContact C-N 3.31Å; I126-R128 VanDerWaalsContact C-N 3.27Å; I126-R128 PolarHBondContact O-N 2.8Å; I126-K129 CarbonylContact O-C 3.35Å; I126-K129 WeakPolarHBondContact O-CA 3.22Å; I126-K129 WeakPolarHBondContact O-CB 3.42Å; I126-K129 PolarHBondContact O-N 3.5Å; I126-F130 HydrophobicContact CG2-CD2 3.7Å; I126-F130 HydrophobicContact CG2-CE2 3.61Å; I126-F130 VanDerWaalsContact O-CD2 3.22Å; I126-F130 WeakPolarHBondContact O-CD2 3.33Å; I126-F130 PolarHBondContact O-N 2.79Å |
| 127 | L | 73.8 | Confident | 68 | Low | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.2 | -40.9 | 172.5 | -73.7 | 168.4 | 0 | 0 | 0 | 112 | A123 F130 A131 I136 Y139 | A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.35Å; L127-F130 PolarHBondContact O-N 2.66Å; L127-A131 PolarHBondContact O-N 3.4Å; L127-I136 HydrophobicContact CD2-CD1 4.28Å; L127-I136 WeakPolarHBondContact O-CD1 3.18Å; L127-Y139 HydrophobicContact CD1-CD2 3.59Å; L127-Y139 HydrophobicContact CD1-CE2 3.48Å; L127-Y139 VanDerWaalsContact CD1-CE2 3.48Å; L127-Y139 HydrophobicContact CD1-CG 4.2Å; L127-Y139 HydrophobicContact CD2-CD2 4.04Å; L127-Y139 HydrophobicContact CD2-CG 4.03Å; L127-Y139 HydrophobicContact CG-CD2 4.49Å |
| 128 | R | 74.2 | Confident | 68.5 | Low | 157 Ų | 157 | 69.9 Ų | 69.9 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 173 | -68.6 | 167.3 | -156.9 | -171.4 | 9.1 | 112.3 | D124 M125 I126 F130 A131 E132 | D124-R128 WeakPolarHBondContact O-CB 3.23Å; D124-R128 WeakPolarHBondContact O-CD 3.46Å; D124-R128 WeakPolarHBondContact O-CG 2.93Å; D124-R128 PolarHBondContact O-N 3.26Å; D124-R128 IonicContact OD2-NH2 2.8Å; D124-R128 PolarHBondContact OD2-NH2 2.79Å; M125-R128 PolarHBondContact O-N 3.3Å; I126-R128 VanDerWaalsContact C-N 3.27Å; I126-R128 PolarHBondContact O-N 2.8Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.29Å; R128-A131 PolarHBondContact O-N 3.36Å; R128-E132 PolarHBondContact O-N 3.03Å; R128-E132 VanDerWaalsContact O-N 3.1Å |
| 129 | K | 74 | Confident | 68.9 | Low | 82 Ų | 82 | 70.1 Ų | 70.1 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -30.4 | 173.5 | -77.4 | -73.5 | 167 | -146.1 | 0 | 113 | M125 I126 E132 F133 | M125-K129 WeakPolarHBondContact O-CG 3.41Å; M125-K129 PolarHBondContact O-N 2.98Å; I126-K129 CarbonylContact O-C 3.35Å; I126-K129 WeakPolarHBondContact O-CA 3.22Å; I126-K129 WeakPolarHBondContact O-CB 3.42Å; I126-K129 PolarHBondContact O-N 3.5Å; K129-E132 IonicContact NZ-OE1 3.5Å; K129-E132 PolarHBondContact NZ-OE1 3.44Å; K129-E132 IonicContact NZ-OE2 3.26Å; K129-E132 PolarHBondContact NZ-OE2 3.02Å; K129-E132 WeakPolarHBondContact O-CB 3.38Å; K129-E132 PolarHBondContact O-N 2.86Å; K129-F133 WeakPolarHBondContact O-CD2 3.45Å; K129-F133 WeakPolarHBondContact O-CE2 3.31Å |
| 130 | F | 72.2 | Confident | 69 | Low | 17 Ų | 17 | 71.3 Ų | 71.3 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76 | -32 | 174.9 | -83.7 | -119.9 | 0 | 0 | 0 | 111.5 | V115 I126 L127 R128 E132 F133 G134 I136 I160 V162 W184 | V115-F130 HydrophobicContact CG1-CE2 4.43Å; V115-F130 HydrophobicContact CG1-CZ 4.18Å; I126-F130 HydrophobicContact CG2-CD2 3.7Å; I126-F130 HydrophobicContact CG2-CE2 3.61Å; I126-F130 VanDerWaalsContact O-CD2 3.22Å; I126-F130 WeakPolarHBondContact O-CD2 3.33Å; I126-F130 PolarHBondContact O-N 2.79Å; L127-F130 PolarHBondContact O-N 2.66Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.29Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 3.27Å; F130-F133 WeakPolarHBondContact O-CB 3.35Å; F130-F133 PolarHBondContact O-N 3.17Å; F130-F133 VanDerWaalsContact O-N 3.09Å; F130-G134 PolarHBondContact O-N 2.98Å; F130-I136 HydrophobicContact CB-CD1 3.83Å; F130-I160 HydrophobicContact CD1-CG2 4.22Å; F130-I160 HydrophobicContact CE1-CB 3.89Å; F130-I160 HydrophobicContact CE1-CG2 3.35Å; F130-I160 WeakPolarHBondContact CE1-O 3.26Å; F130-I160 HydrophobicContact CE2-CG2 4.42Å; F130-I160 HydrophobicContact CZ-CB 4.48Å; F130-I160 HydrophobicContact CZ-CG2 3.47Å; F130-I160 VanDerWaalsContact CZ-CG2 3.47Å; F130-V162 HydrophobicContact CE1-CG2 3.74Å; F130-V162 HydrophobicContact CZ-CG2 3.68Å; F130-W184 HydrophobicContact CE2-CZ3 4.07Å; F130-W184 HydrophobicContact CZ-CZ3 4.32Å |
| 131 | A | 72 | Confident | 68.9 | Low | 29 Ų | 29 | 68.5 Ų | 68.5 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71 | -18.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L55 L127 R128 F133 G134 I136 | L55-A131 HydrophobicContact CD1-CB 3.68Å; L127-A131 PolarHBondContact O-N 3.4Å; R128-A131 PolarHBondContact O-N 3.36Å; A131-F133 PolarHBondContact O-N 3.31Å; A131-G134 WeakPolarHBondContact CA-O 3.27Å; A131-I136 HydrophobicContact CB-CD1 4.27Å |
| 132 | E | 77.3 | Confident | 68.1 | Low | 128 Ų | 128 | 61.1 Ų | 61.1 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18 | 167.1 | -72.5 | 174.8 | -159.1 | 0 | 0 | 112.8 | R128 K129 F130 | R128-E132 PolarHBondContact O-N 3.03Å; R128-E132 VanDerWaalsContact O-N 3.1Å; K129-E132 IonicContact NZ-OE1 3.5Å; K129-E132 PolarHBondContact NZ-OE1 3.44Å; K129-E132 IonicContact NZ-OE2 3.26Å; K129-E132 PolarHBondContact NZ-OE2 3.02Å; K129-E132 WeakPolarHBondContact O-CB 3.38Å; K129-E132 PolarHBondContact O-N 2.86Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 3.27Å |
| 133 | F | 68.2 | Low | 66.9 | Low | 74 Ų | 74 | 66.2 Ų | 66.2 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -72 | 168.5 | -63.8 | -82.4 | 0 | 0 | 0 | 109.2 | K129 F130 A131 F157 I160 K183 | K129-F133 WeakPolarHBondContact O-CD2 3.45Å; K129-F133 WeakPolarHBondContact O-CE2 3.31Å; F130-F133 WeakPolarHBondContact O-CB 3.35Å; F130-F133 PolarHBondContact O-N 3.17Å; F130-F133 VanDerWaalsContact O-N 3.09Å; A131-F133 PolarHBondContact O-N 3.31Å; F133-F157 HydrophobicContact CB-CD1 4.04Å; F133-F157 HydrophobicContact CB-CD2 4.09Å; F133-F157 HydrophobicContact CB-CE1 3.68Å; F133-F157 HydrophobicContact CB-CE2 3.79Å; F133-F157 HydrophobicContact CB-CG 4.28Å; F133-F157 HydrophobicContact CB-CZ 3.57Å; F133-F157 HydrophobicContact CD1-CD1 4.24Å; F133-F157 AromaticContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CZ 4.23Å; F133-F157 HydrophobicContact CG-CE1 4.14Å; F133-F157 HydrophobicContact CG-CZ 4.41Å; F133-F157 WeakPolarHBondContact O-CE2 2.86Å; F133-F157 WeakPolarHBondContact O-CZ 3.31Å; F133-I160 HydrophobicContact CB-CD1 3.66Å; F133-I160 HydrophobicContact CD1-CD1 3.75Å; F133-I160 HydrophobicContact CD2-CD1 3.61Å; F133-I160 HydrophobicContact CE1-CD1 4.27Å; F133-I160 HydrophobicContact CE2-CD1 4.16Å; F133-I160 HydrophobicContact CG-CD1 3.38Å; F133-I160 HydrophobicContact CZ-CD1 4.46Å; F133-K183 HydrophobicContact CE1-CD 4.14Å; F133-K183 HydrophobicContact CZ-CD 4.48Å |
| 134 | G | 63 | Low | 65.4 | Low | 18 Ų | 18 | 74.3 Ų | 74.3 | 19% | 0.186 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -145.9 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | F130 A131 I136 | F130-G134 PolarHBondContact O-N 2.98Å; A131-G134 WeakPolarHBondContact CA-O 3.27Å; G134-I136 PolarHBondContact O-N 2.74Å |
| 135 | T | 68.1 | Low | 63.4 | Low | 119 Ų | 119 | 78.9 Ų | 78.9 | 73% | 0.73 | 41% | 0.406 | S | S | * | . | trans | -63.4 | 114.4 | 178.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | C137 | T135-C137 PolarHBondContact O-N 3.07Š| ||
| 136 | I | 71.3 | Confident | 61 | Low | 54 Ų | 54 | 77.5 Ų | 77.5 | 28% | 0.277 | 41% | 0.409 | S | S | . | . | trans | -79.5 | 114.7 | 171.8 | -56.1 | 177.3 | 0 | 0 | 0 | 108.5 | L127 F130 A131 G134 C138 | L127-I136 HydrophobicContact CD2-CD1 4.28Å; L127-I136 WeakPolarHBondContact O-CD1 3.18Å; F130-I136 HydrophobicContact CB-CD1 3.83Å; A131-I136 HydrophobicContact CB-CD1 4.27Å; G134-I136 PolarHBondContact O-N 2.74Å; I136-C138 VanDerWaalsContact CG2-O 3.27Å; I136-C138 WeakPolarHBondContact CG2-O 3.38Å | ||
| 137 | C | 65.4 | Low | 59.1 | Low | 62 Ų | 62 | 78.9 Ų | 78.9 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | trans | -84.8 | -36.9 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | T135 L151 N152 | T135-C137 PolarHBondContact O-N 3.07Å; C137-L151 HydrophobicContact CB-CD2 4.24Å; C137-N152 PolarHBondContact SG-N 3.48Å | ||
| 138 | C | 67.3 | Low | 57 | Low | 62 Ų | 62 | 83.4 Ų | 83.4 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | trans | -143.7 | 159.3 | 170.9 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | I136 S150 | I136-C138 VanDerWaalsContact CG2-O 3.27Å; I136-C138 WeakPolarHBondContact CG2-O 3.38Å; C138-S150 PolarHBondContact SG-O 2.96Å | ||
| 139 | Y | 66.6 | Low | 55.1 | Low | 49 Ų | 49 | 76.4 Ų | 76.4 | 19% | 0.192 | 41% | 0.407 | C | S | . | . | trans | -146.4 | 149.4 | 163.1 | 75.3 | -76.3 | 0 | 0 | 0 | 113.4 | L60 L127 | L60-Y139 HydrophobicContact CB-CE1 4.01Å; L60-Y139 HydrophobicContact CD2-CE1 4.3Å; L127-Y139 HydrophobicContact CD1-CD2 3.59Å; L127-Y139 HydrophobicContact CD1-CE2 3.48Å; L127-Y139 VanDerWaalsContact CD1-CE2 3.48Å; L127-Y139 HydrophobicContact CD1-CG 4.2Å; L127-Y139 HydrophobicContact CD2-CD2 4.04Å; L127-Y139 HydrophobicContact CD2-CG 4.03Å; L127-Y139 HydrophobicContact CG-CD2 4.49Å | ||
| 140 | E | 59.7 | Low | 53.1 | Low | 109 Ų | 109 | 74.5 Ų | 74.5 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | trans | -127.6 | 134.9 | 176 | -158.4 | -178.2 | 173.3 | 0 | 0 | 108.8 | Y147 | E140-Y147 HydrophobicContact CB-CD1 3.83Å; E140-Y147 HydrophobicContact CB-CG 4.32Å; E140-Y147 HydrophobicContact CG-CD1 3.48Å; E140-Y147 VanDerWaalsContact CG-CD1 3.48Å; E140-Y147 HydrophobicContact CG-CE1 3.75Å; E140-Y147 HydrophobicContact CG-CG 4.38Å; E140-Y147 WeakPolarHBondContact OE1-CE1 3.45Å; E140-Y147 WeakPolarHBondContact OE2-CD1 3.13Å | ||
| 141 | A | 60.4 | Low | 51.2 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -145.7 | 127.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 142 | G | 51 | Low | 49.1 | Very low | 20 Ų | 20 | 78.3 Ų | 78.3 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | trans | -168 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y144 Y147 | G142-Y144 VanDerWaalsContact C-N 3.26Å; G142-Y144 PolarHBondContact O-N 3.16Å; G142-Y147 WeakPolarHBondContact CA-OH 3.36Å; G142-Y147 WeakPolarHBondContact O-CE2 2.99Å | ||
| 143 | N | 40.3 | Very low | 46.9 | Very low | 143 Ų | 143 | 78.2 Ų | 78.2 | 77% | 0.765 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -91.6 | 23.3 | -164.2 | -57.4 | -1 | 0 | 0 | 0 | 113.2 | ||
| 144 | Y | 34.1 | Very low | 44.9 | Very low | 190 Ų | 190 | 80.1 Ų | 80.1 | 75% | 0.745 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -136.3 | 166.3 | -167.6 | -64 | -75.7 | 0 | 0 | 0 | 112.6 | G142 A146 Y147 | G142-Y144 VanDerWaalsContact C-N 3.26Å; G142-Y144 PolarHBondContact O-N 3.16Å; Y144-A146 PolarHBondContact O-N 3.47Å; Y144-Y147 WeakPolarHBondContact O-CE2 3.21Å |
| 145 | L | 26.8 | Very low | 43.1 | Very low | 173 Ų | 173 | 86.8 Ų | 86.8 | 91% | 0.906 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -68.6 | 116.2 | -169.2 | -70.4 | 157.9 | 0 | 0 | 0 | 112.6 | ||
| 146 | A | 25.5 | Very low | 41.2 | Very low | 60 Ų | 60 | 88 Ų | 88 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | trans | 78.4 | 136.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y144 | Y144-A146 PolarHBondContact O-N 3.47Š| ||
| 147 | Y | 31.2 | Very low | 39.1 | Very low | 41 Ų | 41 | 89.8 Ų | 89.8 | 16% | 0.161 | 47% | 0.47 | C | S | . | . | trans | -146.3 | 161.7 | 174.9 | -70.5 | -63.4 | 0 | 0 | 0 | 109.9 | T114 E140 G142 Y144 R163 | T114-Y147 VanDerWaalsContact CG2-O 3.24Å; T114-Y147 WeakPolarHBondContact CG2-O 2.95Å; T114-Y147 PolarHBondContact OG1-O 3.29Å; E140-Y147 HydrophobicContact CB-CD1 3.83Å; E140-Y147 HydrophobicContact CB-CG 4.32Å; E140-Y147 HydrophobicContact CG-CD1 3.48Å; E140-Y147 VanDerWaalsContact CG-CD1 3.48Å; E140-Y147 HydrophobicContact CG-CE1 3.75Å; E140-Y147 HydrophobicContact CG-CG 4.38Å; E140-Y147 WeakPolarHBondContact OE1-CE1 3.45Å; E140-Y147 WeakPolarHBondContact OE2-CD1 3.13Å; G142-Y147 WeakPolarHBondContact CA-OH 3.36Å; G142-Y147 WeakPolarHBondContact O-CE2 2.99Å; Y144-Y147 WeakPolarHBondContact O-CE2 3.21Å; Y147-R163 PolarHBondContact O-NH2 2.86Å | ||
| 148 | F | 28.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 95.5 Ų | 95.5 | 53% | 0.526 | 49% | 0.488 | S | S | . | . | trans | -126.8 | 147.6 | 179.7 | -74.4 | -106 | 0 | 0 | 0 | 110.9 | ||||
| 149 | L | 33.8 | Very low | 35.3 | Very low | 11 Ų | 11 | 97.5 Ų | 97.5 | 6% | 0.058 | 49% | 0.494 | C | S | . | . | B | Isolated β-bridge | trans | -130.5 | 83.7 | -178.7 | -59.8 | 178.6 | 0 | 0 | 0 | 110.4 | C112 V113 | C112-L149 WeakPolarHBondContact CA-O 3.4Å; C112-L149 WeakPolarHBondContact CB-O 3.12Å; V113-L149 HydrophobicContact CB-CD1 4.47Å; V113-L149 HydrophobicContact CG2-CB 3.77Å; V113-L149 HydrophobicContact CG2-CD1 3.79Å; V113-L149 HydrophobicContact CG2-CG 4.35Å; V113-L149 PolarHBondContact N-O 2.88Å; V113-L149 VanDerWaalsContact O-CB 3.26Å; V113-L149 WeakPolarHBondContact O-CB 3.37Å; V113-L149 WeakPolarHBondContact O-CG 3.33Å; V113-L149 PolarHBondContact O-N 3.27Å; V113-L149 VanDerWaalsContact O-N 3.16Å |
| 150 | S | 32.6 | Very low | 33.7 | Very low | 41 Ų | 41 | 96 Ų | 96 | 29% | 0.287 | 49% | 0.49 | S | S | . | . | trans | -75 | 127.9 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | C138 | C138-S150 PolarHBondContact SG-O 2.96Š| ||
| 151 | L | 31.4 | Very low | 32.3 | Very low | 42 Ų | 42 | 92.9 Ų | 92.9 | 22% | 0.22 | 48% | 0.482 | C | S | . | . | trans | -112 | 119.1 | 177.1 | -55.9 | -173.2 | 0 | 0 | 0 | 111.5 | A111 C137 N153 | A111-L151 HydrophobicContact CB-CB 4.25Å; A111-L151 WeakPolarHBondContact CB-O 3.16Å; A111-L151 WeakPolarHBondContact O-CG 3.06Å; C137-L151 HydrophobicContact CB-CD2 4.24Å; L151-N153 PolarHBondContact O-N 2.98Å | ||
| 152 | N | 29.8 | Very low | 30.9 | Very low | 84 Ų | 84 | 90.9 Ų | 90.9 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | trans | -89.7 | 76.6 | 177.3 | -83.7 | -60.6 | 0 | 0 | 0 | 111.4 | C137 | C137-N152 PolarHBondContact SG-N 3.48Š| ||
| 153 | N | 29.8 | Very low | 30 | Very low | 126 Ų | 126 | 94.8 Ų | 94.8 | 67% | 0.674 | 47% | 0.474 | S | S | * | . | trans | -170.6 | 137.8 | 152.2 | -113.9 | -83.9 | 0 | 0 | 0 | 112.1 | L151 F155 | L151-N153 PolarHBondContact O-N 2.98Å; N153-F155 VanDerWaalsContact C-N 3.28Å; N153-F155 PolarHBondContact O-N 3.03Å | ||
| 154 | P | 26.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 92.2 Ų | 92.2 | 75% | 0.747 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -85.1 | 22.9 | -173.7 | 35.2 | -37 | 0 | 0 | 0 | 115.1 | ||
| 155 | F | 25.9 | Very low | 29.3 | Very low | 157 Ų | 157 | 86.3 Ų | 86.3 | 69% | 0.689 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -134.4 | 113.2 | -178.4 | -76.8 | -82.7 | 0 | 0 | 0 | 111.7 | N153 | N153-F155 VanDerWaalsContact C-N 3.28Å; N153-F155 PolarHBondContact O-N 3.03Å |
| 156 | F | 27 | Very low | 29.4 | Very low | 145 Ų | 145 | 83 Ų | 83 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 59 | 103.2 | -173.1 | -48.1 | -94.4 | 0 | 0 | 0 | 110.8 | ||
| 157 | F | 28.1 | Very low | 29.7 | Very low | 92 Ų | 92 | 84.8 Ų | 84.8 | 40% | 0.404 | 44% | 0.436 | S | S | . | . | -139 | 154.4 | 54 | -87.4 | -84.8 | 0 | 0 | 0 | 115.5 | F133 I160 | F133-F157 HydrophobicContact CB-CD1 4.04Å; F133-F157 HydrophobicContact CB-CD2 4.09Å; F133-F157 HydrophobicContact CB-CE1 3.68Å; F133-F157 HydrophobicContact CB-CE2 3.79Å; F133-F157 HydrophobicContact CB-CG 4.28Å; F133-F157 HydrophobicContact CB-CZ 3.57Å; F133-F157 HydrophobicContact CD1-CD1 4.24Å; F133-F157 AromaticContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CE1 3.68Å; F133-F157 HydrophobicContact CD1-CZ 4.23Å; F133-F157 HydrophobicContact CG-CE1 4.14Å; F133-F157 HydrophobicContact CG-CZ 4.41Å; F133-F157 WeakPolarHBondContact O-CE2 2.86Å; F133-F157 WeakPolarHBondContact O-CZ 3.31Å; F157-I160 HydrophobicContact CD1-CD1 4.05Å; F157-I160 HydrophobicContact CG-CD1 4.34Å | |||
| 158 | K | 25.6 | Very low | 29.7 | Very low | 181 Ų | 181 | 91.5 Ų | 91.5 | 79% | 0.787 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -88.4 | 126.8 | 150.8 | -72.8 | -169.5 | 173.8 | -173.1 | 0 | 109 | ||
| 159 | D | 27.3 | Very low | 30.1 | Very low | 104 Ų | 104 | 90.3 Ų | 90.3 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | trans | 48.8 | 89.1 | 154.8 | -43.3 | -39.7 | 0 | 0 | 0 | 117.1 | ||||
| 160 | I | 31.9 | Very low | 30.1 | Very low | 19 Ų | 19 | 94.4 Ų | 94.4 | 10% | 0.097 | 50% | 0.497 | C | S | . | . | trans | -129.2 | 52.4 | 158.9 | -32.3 | -179.6 | 0 | 0 | 0 | 110.2 | V113 F130 F133 F157 V162 V180 | V113-I160 VanDerWaalsContact CB-O 3.23Å; V113-I160 WeakPolarHBondContact CB-O 3.1Å; V113-I160 WeakPolarHBondContact CG1-O 3.21Å; F130-I160 HydrophobicContact CD1-CG2 4.22Å; F130-I160 HydrophobicContact CE1-CB 3.89Å; F130-I160 HydrophobicContact CE1-CG2 3.35Å; F130-I160 WeakPolarHBondContact CE1-O 3.26Å; F130-I160 HydrophobicContact CE2-CG2 4.42Å; F130-I160 HydrophobicContact CZ-CB 4.48Å; F130-I160 HydrophobicContact CZ-CG2 3.47Å; F130-I160 VanDerWaalsContact CZ-CG2 3.47Å; F133-I160 HydrophobicContact CB-CD1 3.66Å; F133-I160 HydrophobicContact CD1-CD1 3.75Å; F133-I160 HydrophobicContact CD2-CD1 3.61Å; F133-I160 HydrophobicContact CE1-CD1 4.27Å; F133-I160 HydrophobicContact CE2-CD1 4.16Å; F133-I160 HydrophobicContact CG-CD1 3.38Å; F133-I160 HydrophobicContact CZ-CD1 4.46Å; F157-I160 HydrophobicContact CD1-CD1 4.05Å; F157-I160 HydrophobicContact CG-CD1 4.34Å; I160-V162 HydrophobicContact CG2-CG2 4.47Å; I160-V162 WeakPolarHBondContact O-CG2 3.2Å; I160-V180 HydrophobicContact CG2-CG1 4.3Å | ||
| 161 | A | 32 | Very low | 29.9 | Very low | 42 Ų | 42 | 96.8 Ų | 96.8 | 35% | 0.347 | 51% | 0.513 | S | S | . | . | trans | -86.6 | 149.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V113 | V113-A161 HydrophobicContact CG1-CB 4.27Š| ||
| 162 | V | 30.9 | Very low | 30.1 | Very low | 3 Ų | 3 | 105.3 Ų | 105.3 | 2% | 0.018 | 55% | 0.548 | C | S | . | . | trans | -173 | 122.2 | -151.7 | -125.3 | 0 | 0 | 0 | 0 | 103.7 | T114 V115 F116 F130 I160 W184 | T114-V162 CarbonylContact C-O 3.05Å; T114-V162 VanDerWaalsContact CA-O 3.31Å; T114-V162 WeakPolarHBondContact CA-O 3.21Å; T114-V162 WeakPolarHBondContact CB-O 3.44Å; T114-V162 WeakPolarHBondContact O-CB 3.34Å; T114-V162 WeakPolarHBondContact O-CG2 3.44Å; V115-V162 VanDerWaalsContact C-C 3.45Å; V115-V162 CarbonylContact C-O 2.76Å; V115-V162 HydrophobicContact CB-CB 4.44Å; V115-V162 HydrophobicContact CG1-CB 3.85Å; V115-V162 HydrophobicContact CG1-CG1 3.87Å; V115-V162 HydrophobicContact CG1-CG2 4.1Å; V115-V162 PolarHBondContact N-O 3.25Å; V115-V162 VanDerWaalsContact N-O 3.07Å; F116-V162 HydrophobicContact CB-CB 4.25Å; F116-V162 HydrophobicContact CB-CG1 3.64Å; F116-V162 HydrophobicContact CD2-CB 3.88Å; F116-V162 HydrophobicContact CD2-CG1 3.17Å; F116-V162 HydrophobicContact CE2-CB 4.49Å; F116-V162 HydrophobicContact CE2-CG1 4.03Å; F116-V162 HydrophobicContact CG-CB 4.12Å; F116-V162 HydrophobicContact CG-CG1 3.64Å; F116-V162 VanDerWaalsContact N-CB 3.3Å; F130-V162 HydrophobicContact CE1-CG2 3.74Å; F130-V162 HydrophobicContact CZ-CG2 3.68Å; I160-V162 HydrophobicContact CG2-CG2 4.47Å; I160-V162 WeakPolarHBondContact O-CG2 3.2Å; V162-W184 HydrophobicContact CG1-CH2 3.97Å; V162-W184 HydrophobicContact CG1-CZ2 3.68Å | ||
| 163 | R | 30.7 | Very low | 30.3 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | trans | -136.9 | 134.7 | -177.1 | -89.4 | -169.8 | 170.7 | 175.6 | -2.7 | 114.8 | T114 V115 F116 Y147 | T114-R163 VanDerWaalsContact CB-CG 3.47Å; T114-R163 HydrophobicContact CG2-CG 3.76Å; T114-R163 PolarHBondContact OG1-NE 2.87Å; T114-R163 PolarHBondContact OG1-NH2 3.31Å; V115-R163 CarbonylContact O-C 3.51Å; V115-R163 WeakPolarHBondContact O-CA 3.24Å; F116-R163 WeakPolarHBondContact CD1-O 3.47Å; Y147-R163 PolarHBondContact O-NH2 2.86Å | ||
| 164 | Q | 29.8 | Very low | 30.5 | Very low | 89 Ų | 89 | 103.3 Ų | 103.3 | 42% | 0.416 | 54% | 0.543 | S | S | . | . | trans | -69.1 | 137.4 | -151.8 | -156.9 | 170.1 | 1.8 | 0 | 0 | 112.3 | V115 F118 | V115-Q164 WeakPolarHBondContact O-CA 3.45Å; V115-Q164 WeakPolarHBondContact O-CB 3.44Å; V115-Q164 PolarHBondContact O-N 3.37Å; F118-Q164 HydrophobicContact CD1-CG 4.04Å; F118-Q164 HydrophobicContact CE1-CB 4.48Å; F118-Q164 HydrophobicContact CE1-CG 3.87Å; F118-Q164 PolarHBondContact O-NE2 3.19Å | ||
| 165 | L | 29.5 | Very low | 30.9 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 35% | 0.346 | 55% | 0.546 | S | S | . | . | trans | -146.3 | 114.5 | -162.7 | -110.6 | 163.3 | 0 | 0 | 0 | 110.3 | F116 T169 V170 | F116-L165 HydrophobicContact CD1-CD1 4.25Å; F116-L165 HydrophobicContact CE1-CD1 4.13Å; L165-T169 HydrophobicContact CD2-CG2 4.02Å; L165-V170 HydrophobicContact CB-CG2 4.09Å; L165-V170 HydrophobicContact CD1-CG2 4.2Å; L165-V170 HydrophobicContact CD2-CG2 4.04Å; L165-V170 HydrophobicContact CG-CG2 4.34Å | ||
| 166 | D | 29 | Very low | 31.3 | Very low | 104 Ų | 104 | 100.7 Ų | 100.7 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | trans | -56.3 | 134.2 | 172.8 | -173 | -39.8 | 0 | 0 | 0 | 110.1 | H168 T169 | D166-H168 PolarHBondContact O-N 2.68Å; D166-H168 IonicContact OD1-CD2 2.65Å; D166-H168 PolarHBondContact OD1-CD2 3.3Å; D166-H168 IonicContact OD1-CG 3.94Å; D166-H168 PolarHBondContact OD1-N 2.78Å; D166-T169 PolarHBondContact O-N 3.17Å | ||
| 167 | A | 31.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 100.5 Ų | 100.5 | 80% | 0.802 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -21.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | T169 | A167-T169 VanDerWaalsContact C-N 3.31Å; A167-T169 PolarHBondContact O-N 3Å |
| 168 | H | 33.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 101.7 Ų | 101.7 | 84% | 0.843 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -9.5 | 176 | -74.1 | -77 | 0 | 0 | 0 | 115.3 | D166 | D166-H168 PolarHBondContact O-N 2.68Å; D166-H168 IonicContact OD1-CD2 2.65Å; D166-H168 PolarHBondContact OD1-CD2 3.3Å; D166-H168 IonicContact OD1-CG 3.94Å; D166-H168 PolarHBondContact OD1-N 2.78Å |
| 169 | T | 35.6 | Very low | 32.7 | Very low | 95 Ų | 95 | 96 Ų | 96 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -18.4 | -168.5 | -43.4 | 0 | 0 | 0 | 0 | 114.2 | L165 D166 A167 S171 | L165-T169 HydrophobicContact CD2-CG2 4.02Å; D166-T169 PolarHBondContact O-N 3.17Å; A167-T169 VanDerWaalsContact C-N 3.31Å; A167-T169 PolarHBondContact O-N 3Å; T169-S171 PolarHBondContact O-N 2.99Å |
| 170 | V | 33.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 92.5 Ų | 92.5 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | trans | -81.9 | 83.8 | -176.1 | -171 | 0 | 0 | 0 | 0 | 111.7 | L165 | L165-V170 HydrophobicContact CB-CG2 4.09Å; L165-V170 HydrophobicContact CD1-CG2 4.2Å; L165-V170 HydrophobicContact CD2-CG2 4.04Å; L165-V170 HydrophobicContact CG-CG2 4.34Å | ||
| 171 | S | 29 | Very low | 34 | Very low | 90 Ų | 90 | 93.9 Ų | 93.9 | 63% | 0.629 | 55% | 0.554 | S | S | * | * | trans | -59.6 | 151.9 | 160.9 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | T169 S173 | T169-S171 PolarHBondContact O-N 2.99Å; S171-S173 PolarHBondContact O-N 3.44Å | ||
| 172 | K | 36.5 | Very low | 34.6 | Very low | 221 Ų | 221 | 97.4 Ų | 97.4 | 96% | 0.961 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -73.8 | 31.5 | -168.9 | -63.5 | -176.5 | 176.3 | -179.7 | 0 | 115.2 | ||
| 173 | S | 32.9 | Very low | 35.4 | Very low | 75 Ų | 75 | 104.7 Ų | 104.7 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | trans | -118.7 | 138.8 | -175.7 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | S171 | S171-S173 PolarHBondContact O-N 3.44Š| ||
| 174 | N | 34.9 | Very low | 36.1 | Very low | 93 Ų | 93 | 102.2 Ų | 102.2 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | trans | 80.3 | 14.4 | 164.5 | -50.9 | 6 | 0 | 0 | 0 | 118.2 | S176 Q177 | N174-S176 PolarHBondContact O-N 3.3Å; N174-S176 VanDerWaalsContact O-N 3.11Å; N174-Q177 HydrophobicContact CB-CB 4.1Å; N174-Q177 PolarHBondContact ND2-OE1 2.97Å; N174-Q177 VanDerWaalsContact O-CB 3.31Å; N174-Q177 WeakPolarHBondContact O-CB 3.34Å; N174-Q177 PolarHBondContact O-N 2.95Å | ||
| 175 | A | 34.4 | Very low | 36.8 | Very low | 98 Ų | 98 | 103 Ų | 103 | 81% | 0.81 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -57.9 | -20.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q177 | A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.9Å |
| 176 | S | 34.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 103.7 Ų | 103.7 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -81.2 | 2.2 | 173.7 | 60 | 0 | 0 | 0 | 0 | 114.9 | N174 | N174-S176 PolarHBondContact O-N 3.3Å; N174-S176 VanDerWaalsContact O-N 3.11Å |
| 177 | Q | 37.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 101.3 Ų | 101.3 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -104.7 | -8.2 | -173.1 | -158.9 | 169.1 | 12.8 | 0 | 0 | 113.5 | N174 A175 | N174-Q177 HydrophobicContact CB-CB 4.1Å; N174-Q177 PolarHBondContact ND2-OE1 2.97Å; N174-Q177 VanDerWaalsContact O-CB 3.31Å; N174-Q177 WeakPolarHBondContact O-CB 3.34Å; N174-Q177 PolarHBondContact O-N 2.95Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.9Å |
| 178 | F | 36.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -106.7 | 135.3 | 171 | -65.9 | -90.4 | 0 | 0 | 0 | 109 | F116 V180 | F116-F178 HydrophobicContact CZ-CD2 4.33Å; F116-F178 HydrophobicContact CZ-CE2 4.36Å; F178-V180 HydrophobicContact CB-CG2 3.73Å; F178-V180 PolarHBondContact O-N 3.05Å |
| 179 | G | 36.6 | Very low | 40 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | trans | -69.9 | 17.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G181 | G179-G181 PolarHBondContact O-N 3.46Š| ||
| 180 | V | 42.2 | Very low | 40.7 | Very low | 29 Ų | 29 | 97.7 Ų | 97.7 | 18% | 0.176 | 55% | 0.554 | C | S | . | * | trans | -70.1 | 101.6 | -173.1 | -135.8 | 0 | 0 | 0 | 0 | 109.7 | I160 F178 W184 | I160-V180 HydrophobicContact CG2-CG1 4.3Å; F178-V180 HydrophobicContact CB-CG2 3.73Å; F178-V180 PolarHBondContact O-N 3.05Å; V180-W184 HydrophobicContact CB-CB 3.97Å; V180-W184 HydrophobicContact CB-CG 3.95Å; V180-W184 HydrophobicContact CG1-CB 3.54Å; V180-W184 HydrophobicContact CG1-CD2 4.17Å; V180-W184 HydrophobicContact CG1-CG 3.51Å | ||
| 181 | G | 42.9 | Very low | 40.8 | Very low | 48 Ų | 48 | 99.9 Ų | 99.9 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | trans | -63.8 | 172.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G179 K183 W184 | G179-G181 PolarHBondContact O-N 3.46Å; G181-K183 PolarHBondContact O-N 2.94Å; G181-W184 PolarHBondContact O-N 2.99Å | ||
| 182 | Q | 44.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -42.1 | -34.9 | -170.1 | -166.2 | 63.1 | 57.7 | 0 | 0 | 116.1 | W184 Q185 N186 | Q182-W184 VanDerWaalsContact C-N 3.32Å; Q182-W184 PolarHBondContact O-N 2.9Å; Q182-Q185 PolarHBondContact O-N 2.75Å; Q182-N186 PolarHBondContact NE2-OD1 3.23Å; Q182-N186 PolarHBondContact O-N 3.38Å; Q182-N186 PolarHBondContact O-OD1 3.28Å; Q182-N186 VanDerWaalsContact O-OD1 3.05Å |
| 183 | K | 47.2 | Very low | 41.7 | Very low | 155 Ų | 155 | 94 Ų | 94 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58 | -39.4 | 175.8 | -72.4 | -174.8 | 174.8 | -176.8 | 0 | 113.2 | F133 G181 N186 F187 | F133-K183 HydrophobicContact CE1-CD 4.14Å; F133-K183 HydrophobicContact CZ-CD 4.48Å; G181-K183 PolarHBondContact O-N 2.94Å; K183-N186 PolarHBondContact O-N 3.49Å; K183-F187 PolarHBondContact O-N 3.44Å |
| 184 | W | 47.1 | Very low | 42.1 | Very low | 51 Ų | 51 | 95.1 Ų | 95.1 | 19% | 0.193 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -71.8 | -42.3 | 177.1 | -177 | -105.2 | 0 | 0 | 0 | 111.6 | F116 F130 V162 V180 G181 Q182 N186 F187 C188 | F116-W184 HydrophobicContact CD2-CZ2 4.46Å; F130-W184 HydrophobicContact CE2-CZ3 4.07Å; F130-W184 HydrophobicContact CZ-CZ3 4.32Å; V162-W184 HydrophobicContact CG1-CH2 3.97Å; V162-W184 HydrophobicContact CG1-CZ2 3.68Å; V180-W184 HydrophobicContact CB-CB 3.97Å; V180-W184 HydrophobicContact CB-CG 3.95Å; V180-W184 HydrophobicContact CG1-CB 3.54Å; V180-W184 HydrophobicContact CG1-CD2 4.17Å; V180-W184 HydrophobicContact CG1-CG 3.51Å; G181-W184 PolarHBondContact O-N 2.99Å; Q182-W184 VanDerWaalsContact C-N 3.32Å; Q182-W184 PolarHBondContact O-N 2.9Å; W184-N186 PolarHBondContact O-N 3.02Å; W184-F187 HydrophobicContact CD2-CD1 4.49Å; W184-F187 AromaticContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CG 4.49Å; W184-F187 AromaticContact CH2-CD1 3.97Å; W184-F187 HydrophobicContact CH2-CD1 3.97Å; W184-F187 AromaticContact CH2-CE1 3.93Å; W184-F187 HydrophobicContact CH2-CE1 3.93Å; W184-F187 AromaticContact CZ3-CD1 3.58Å; W184-F187 HydrophobicContact CZ3-CD1 3.58Å; W184-F187 AromaticContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CG 4.47Å; W184-F187 WeakPolarHBondContact O-CB 3.37Å; W184-F187 PolarHBondContact O-N 3.21Å; W184-F187 VanDerWaalsContact O-N 3.09Å; W184-C188 PolarHBondContact O-N 2.83Å |
| 185 | Q | 43.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 95.2 Ų | 95.2 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 173.8 | -169.4 | -178.4 | 47.4 | 0 | 0 | 111.8 | Q182 Q189 | Q182-Q185 PolarHBondContact O-N 2.75Å; Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q185-Q189 PolarHBondContact O-N 3.28Å |
| 186 | N | 48.5 | Very low | 43.1 | Very low | 82 Ų | 82 | 95 Ų | 95 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 175 | -65.3 | 8.8 | 0 | 0 | 0 | 111.9 | Q182 K183 W184 Q189 S190 | Q182-N186 PolarHBondContact NE2-OD1 3.23Å; Q182-N186 PolarHBondContact O-N 3.38Å; Q182-N186 PolarHBondContact O-OD1 3.28Å; Q182-N186 VanDerWaalsContact O-OD1 3.05Å; K183-N186 PolarHBondContact O-N 3.49Å; W184-N186 PolarHBondContact O-N 3.02Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-S190 PolarHBondContact O-N 3.19Å; N186-S190 VanDerWaalsContact O-N 3.11Å; N186-S190 PolarHBondContact O-OG 3.41Å |
| 187 | F | 47.2 | Very low | 43.6 | Very low | 54 Ų | 54 | 93.4 Ų | 93.4 | 24% | 0.237 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.4 | 173.9 | -100.1 | 0 | 0 | 0 | 112 | K183 W184 Q189 S190 N191 | K183-F187 PolarHBondContact O-N 3.44Å; W184-F187 HydrophobicContact CD2-CD1 4.49Å; W184-F187 AromaticContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CD1 3.87Å; W184-F187 HydrophobicContact CE3-CG 4.49Å; W184-F187 AromaticContact CH2-CD1 3.97Å; W184-F187 HydrophobicContact CH2-CD1 3.97Å; W184-F187 AromaticContact CH2-CE1 3.93Å; W184-F187 HydrophobicContact CH2-CE1 3.93Å; W184-F187 AromaticContact CZ3-CD1 3.58Å; W184-F187 HydrophobicContact CZ3-CD1 3.58Å; W184-F187 AromaticContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CE1 3.79Å; W184-F187 HydrophobicContact CZ3-CG 4.47Å; W184-F187 WeakPolarHBondContact O-CB 3.37Å; W184-F187 PolarHBondContact O-N 3.21Å; W184-F187 VanDerWaalsContact O-N 3.09Å; F187-Q189 PolarHBondContact O-N 3.2Å; F187-S190 PolarHBondContact O-N 3.45Å; F187-S190 PolarHBondContact O-OG 2.99Å; F187-N191 VanDerWaalsContact CD2-ND2 3.31Å; F187-N191 WeakPolarHBondContact CD2-ND2 3.36Å; F187-N191 WeakPolarHBondContact CE2-ND2 3.44Å; F187-N191 PolarHBondContact O-N 3.48Å; F187-N191 PolarHBondContact O-ND2 3.21Å |
| 188 | C | 46.9 | Very low | 44.1 | Very low | 65 Ų | 65 | 90 Ų | 90 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.6 | 9.9 | 173.5 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | W184 | W184-C188 PolarHBondContact O-N 2.83Å |
| 189 | Q | 48.9 | Very low | 44.7 | Very low | 142 Ų | 142 | 87.9 Ų | 87.9 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -115.9 | -15.3 | 169 | -72.7 | 175 | 18 | 0 | 0 | 112.4 | Q185 N186 F187 | Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q185-Q189 PolarHBondContact O-N 3.28Å; N186-Q189 PolarHBondContact O-N 2.87Å; F187-Q189 PolarHBondContact O-N 3.2Å |
| 190 | S | 50.3 | Low | 45.4 | Very low | 90 Ų | 90 | 90 Ų | 90 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -103.7 | -7.2 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | N186 F187 | N186-S190 PolarHBondContact O-N 3.19Å; N186-S190 VanDerWaalsContact O-N 3.11Å; N186-S190 PolarHBondContact O-OG 3.41Å; F187-S190 PolarHBondContact O-N 3.45Å; F187-S190 PolarHBondContact O-OG 2.99Å |
| 191 | N | 34.9 | Very low | 45.7 | Very low | 143 Ų | 143 | 95.5 Ų | 95.5 | 77% | 0.765 | 51% | 0.506 | S | S | * | . | trans | -141 | 0 | 176.4 | -41.4 | -103.5 | 0 | 0 | 0 | 108 | F187 | F187-N191 VanDerWaalsContact CD2-ND2 3.31Å; F187-N191 WeakPolarHBondContact CD2-ND2 3.36Å; F187-N191 WeakPolarHBondContact CE2-ND2 3.44Å; F187-N191 PolarHBondContact O-N 3.48Å; F187-N191 PolarHBondContact O-ND2 3.21Å |
Retrieved 191 of 191 residues in 169.7 ms
(Link to these results)