| 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 | 45.8 | Very low | 47.4 | Very low | 239 Ų | 239 | 162.1 Ų | 162.1 | 100% | 1.177 | 88% | 0.878 | S | S | * | * | 0 | 128 | 0 | -78.5 | -172.9 | -168.8 | 0 | 0 | 107.5 | |||||
| 2 | S | 50.8 | Low | 46.7 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 85% | 0.846 | 87% | 0.874 | S | S | * | * | trans | 63.4 | 90.7 | 163.3 | 47.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 3 | E | 39.3 | Very low | 46.2 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 86% | 0.861 | S | S | * | * | trans | -64.4 | 150.9 | 150.6 | -69.3 | 158.3 | 137.1 | 0 | 0 | 111.5 | ||||
| 4 | A | 54.4 | Low | 45.6 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | -149.3 | 97 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | E | 47.4 | Very low | 45.4 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -83.8 | 126.7 | 170 | -67.6 | -174.7 | 131.2 | 0 | 0 | 109.7 | ||||
| 6 | H | 52.3 | Low | 44.8 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 88% | 0.875 | 85% | 0.845 | S | S | * | * | trans | -103.4 | 106.6 | 166.5 | -112.7 | -50.1 | 0 | 0 | 0 | 108.9 | ||||
| 7 | K | 44.9 | Very low | 44.5 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -90.2 | 122 | 171.3 | -161.6 | 168.6 | -177.1 | 175.3 | 0 | 108.3 | ||||
| 8 | T | 53 | Low | 44 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | trans | -111.3 | 124.5 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 108.9 | G10 | T8-G10 PolarHBondContact O-N 3.48Š| ||
| 9 | D | 44.6 | Very low | 44 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -73.6 | 117.4 | 178.8 | -77.3 | -42.4 | 0 | 0 | 0 | 110.6 | K11 | D9-K11 PolarHBondContact O-N 3.26Š| ||
| 10 | G | 43 | Very low | 43.9 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -82.3 | 106.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T8 E12 | T8-G10 PolarHBondContact O-N 3.48Å; G10-E12 PolarHBondContact O-N 3.25Å | ||
| 11 | K | 45.9 | Very low | 44.1 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | trans | -82.6 | 109.9 | 172.5 | -168.1 | 172.5 | -177.2 | 176.5 | 0 | 109.2 | D9 V13 | D9-K11 PolarHBondContact O-N 3.26Å; K11-V13 PolarHBondContact O-N 2.91Å | ||
| 12 | E | 38.9 | Very low | 44.3 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -65.5 | 119.9 | 174.4 | -156.4 | 172 | -165.9 | 0 | 0 | 109.6 | G10 | G10-E12 PolarHBondContact O-N 3.25Š| ||
| 13 | V | 40.5 | Very low | 44.3 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | trans | -107.1 | 93.9 | 175 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | K11 T15 | K11-V13 PolarHBondContact O-N 2.91Å; V13-T15 HydrophobicContact CG1-CG2 4.26Å; V13-T15 PolarHBondContact O-N 2.81Å | ||
| 14 | T | 37.5 | Very low | 45 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -73.8 | 111.3 | 170.6 | -36.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 15 | T | 42.5 | Very low | 44.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -92.8 | 103.2 | 174.3 | 39.1 | 0 | 0 | 0 | 0 | 108.9 | V13 | V13-T15 HydrophobicContact CG1-CG2 4.26Å; V13-T15 PolarHBondContact O-N 2.81Å | ||
| 16 | E | 36.3 | Very low | 45 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 118.8 | 166.7 | -72.4 | -172.9 | 156.9 | 0 | 0 | 109.2 | T18 | E16-T18 PolarHBondContact O-N 3.47Š| ||
| 17 | A | 40.1 | Very low | 45.5 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -82 | 103.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I19 | A17-I19 PolarHBondContact O-N 2.82Å; A17-I19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | T | 35.3 | Very low | 46.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 104.1 | 170.1 | -58 | 0 | 0 | 0 | 0 | 110.4 | E16 S20 | E16-T18 PolarHBondContact O-N 3.47Å; T18-S20 PolarHBondContact O-N 2.87Å | ||
| 19 | I | 44.3 | Very low | 46.3 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 113.7 | 172 | -60.5 | 169.6 | 0 | 0 | 0 | 108.3 | A17 | A17-I19 PolarHBondContact O-N 2.82Å; A17-I19 VanDerWaalsContact O-N 3.15Å | ||
| 20 | S | 41 | Very low | 46.9 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 139.8 | 174 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | T18 L22 | T18-S20 PolarHBondContact O-N 2.87Å; S20-L22 PolarHBondContact O-N 2.84Å | ||
| 21 | P | 48.4 | Very low | 47.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 121.4 | -176.3 | 30.2 | -31.4 | 0 | 0 | 0 | 110.1 | I23 | P21-I23 PolarHBondContact O-N 3.08Å; P21-I23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | L | 49.5 | Very low | 47.5 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -63.5 | 111.9 | 166.2 | -106.1 | 156.4 | 0 | 0 | 0 | 108.5 | S20 T24 | S20-L22 PolarHBondContact O-N 2.84Å; L22-T24 PolarHBondContact O-N 3.47Å; L22-T24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | I | 50.8 | Low | 48.3 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -58.2 | 112.1 | 176.1 | -67.5 | 166.6 | 0 | 0 | 0 | 108.6 | P21 L25 | P21-I23 PolarHBondContact O-N 3.08Å; P21-I23 VanDerWaalsContact O-N 3.15Å; I23-L25 PolarHBondContact O-N 2.83Å; I23-L25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | T | 53.7 | Low | 48.9 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -73.6 | 102 | 172 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | L22 F26 | L22-T24 PolarHBondContact O-N 3.47Å; L22-T24 VanDerWaalsContact O-N 3.15Å; T24-F26 PolarHBondContact O-N 2.84Å | ||
| 25 | L | 51.9 | Low | 49.8 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -80.9 | 23.7 | 177.4 | -111.1 | 153.2 | 0 | 0 | 0 | 113.5 | I23 | I23-L25 PolarHBondContact O-N 2.83Å; I23-L25 VanDerWaalsContact O-N 3.15Å | ||
| 26 | F | 51.6 | Low | 50.5 | Low | 193 Ų | 193 | 131 Ų | 131 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -106.4 | 106.9 | 174.1 | -83.4 | -82.2 | 0 | 0 | 0 | 110.5 | T24 P28 | T24-F26 PolarHBondContact O-N 2.84Å; F26-P28 WeakPolarHBondContact O-CD 3.24Å | ||
| 27 | R | 62.1 | Low | 51.6 | Low | 240 Ų | 240 | 129.8 Ų | 129.8 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118.5 | 171.7 | -157.7 | 179.1 | -167.7 | -175.1 | 4.3 | 108.1 | S29 | R27-S29 PolarHBondContact O-N 3.16Š|
| 28 | P | 58.1 | Low | 52.5 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.6 | 178.9 | 24.5 | -31.5 | 0 | 0 | 0 | 109.7 | F26 | F26-P28 WeakPolarHBondContact O-CD 3.24Š|
| 29 | S | 57.5 | Low | 53.5 | Low | 70 Ų | 70 | 134.2 Ų | 134.2 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 155.2 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | R27 L31 T32 | R27-S29 PolarHBondContact O-N 3.16Å; S29-L31 PolarHBondContact O-N 3.4Å; S29-T32 PolarHBondContact O-N 3.42Å |
| 30 | K | 57.2 | Low | 54.1 | Low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -7.3 | -176.8 | -70.3 | -175.3 | 177.3 | 175.2 | 0 | 114.8 | T33 | K30-T33 PolarHBondContact O-OG1 3.47Š|
| 31 | L | 47.4 | Very low | 54.6 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -24.2 | 179.9 | -71.4 | 162.3 | 0 | 0 | 0 | 112.8 | S29 T33 T34 | S29-L31 PolarHBondContact O-N 3.4Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.25Å; L31-T34 PolarHBondContact O-N 2.64Å |
| 32 | T | 54 | Low | 54.6 | Low | 77 Ų | 77 | 134.5 Ų | 134.5 | 47% | 0.472 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -68.9 | -28 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | S29 | S29-T32 PolarHBondContact O-N 3.42Å |
| 33 | T | 54.1 | Low | 54.5 | Low | 94 Ų | 94 | 129.4 Ų | 129.4 | 58% | 0.577 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.1 | -13.2 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | K30 L31 | K30-T33 PolarHBondContact O-OG1 3.47Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.25Å |
| 34 | T | 54 | Low | 54.2 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 44% | 0.436 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -89 | -35.4 | 179 | -35.7 | 0 | 0 | 0 | 0 | 111.8 | L31 K37 I38 | L31-T34 PolarHBondContact O-N 2.64Å; T34-K37 PolarHBondContact O-N 2.76Å; T34-I38 HydrophobicContact CG2-CD1 4.48Å; T34-I38 WeakPolarHBondContact O-CG1 3.47Å; T34-I38 PolarHBondContact O-N 3.48Å |
| 35 | V | 56.1 | Low | 53.5 | Low | 95 Ų | 95 | 129 Ų | 129 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | K37 I38 W39 | V35-K37 PolarHBondContact O-N 3.44Å; V35-I38 PolarHBondContact O-N 2.93Å; V35-W39 PolarHBondContact O-N 3.47Å; V35-W39 VanDerWaalsContact O-N 3.17Å |
| 36 | D | 57.2 | Low | 53.3 | Low | 95 Ų | 95 | 126.6 Ų | 126.6 | 51% | 0.508 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.7 | -24.4 | 176.5 | -79.2 | -21.1 | 0 | 0 | 0 | 113.5 | K40 | D36-K40 WeakPolarHBondContact O-CB 3.38Å; D36-K40 WeakPolarHBondContact O-CD 3.5Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.42Å |
| 37 | K | 60.6 | Low | 52.5 | Low | 154 Ų | 154 | 120.8 Ų | 120.8 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.6 | -41.8 | 174.9 | -83.6 | -179.8 | 175.9 | -179.1 | 0 | 111.5 | T34 V35 K40 T41 | T34-K37 PolarHBondContact O-N 2.76Å; V35-K37 PolarHBondContact O-N 3.44Å; K37-K40 PolarHBondContact O-N 3.39Å; K37-T41 WeakPolarHBondContact O-CG2 3.45Å; K37-T41 PolarHBondContact O-N 3.33Å; K37-T41 VanDerWaalsContact O-N 3.13Å; K37-T41 PolarHBondContact O-OG1 3.31Å |
| 38 | I | 57.5 | Low | 51.6 | Low | 103 Ų | 103 | 115.9 Ų | 115.9 | 53% | 0.528 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65.6 | -44.6 | -178.6 | -64.2 | 165.9 | 0 | 0 | 0 | 110.6 | T34 V35 K40 T41 T42 | T34-I38 HydrophobicContact CG2-CD1 4.48Å; T34-I38 WeakPolarHBondContact O-CG1 3.47Å; T34-I38 PolarHBondContact O-N 3.48Å; V35-I38 PolarHBondContact O-N 2.93Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.08Å; I38-T41 WeakPolarHBondContact CA-OG1 3.47Å; I38-T41 PolarHBondContact O-N 3.06Å; I38-T41 PolarHBondContact O-OG1 3.49Å; I38-T42 PolarHBondContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.29Å |
| 39 | W | 55.9 | Low | 50.6 | Low | 212 Ų | 212 | 118.8 Ų | 118.8 | 80% | 0.803 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.4 | -28.6 | -179.9 | -161.1 | -86 | 0 | 0 | 0 | 113.2 | V35 | V35-W39 PolarHBondContact O-N 3.47Å; V35-W39 VanDerWaalsContact O-N 3.17Å |
| 40 | K | 56.9 | Low | 49.7 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 73% | 0.726 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.7 | -25.6 | 175.7 | -73.6 | 178.9 | -176.3 | -179.7 | 0 | 113.2 | D36 K37 I38 | D36-K40 WeakPolarHBondContact O-CB 3.38Å; D36-K40 WeakPolarHBondContact O-CD 3.5Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.42Å; K37-K40 PolarHBondContact O-N 3.39Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.08Å |
| 41 | T | 53.3 | Low | 48.9 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.7 | -16.9 | -179.9 | 43.8 | 0 | 0 | 0 | 0 | 114.6 | K37 I38 | K37-T41 WeakPolarHBondContact O-CG2 3.45Å; K37-T41 PolarHBondContact O-N 3.33Å; K37-T41 VanDerWaalsContact O-N 3.13Å; K37-T41 PolarHBondContact O-OG1 3.31Å; I38-T41 WeakPolarHBondContact CA-OG1 3.47Å; I38-T41 PolarHBondContact O-N 3.06Å; I38-T41 PolarHBondContact O-OG1 3.49Å |
| 42 | T | 47.5 | Very low | 48.4 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -104.1 | 8.1 | -179 | 55.5 | 0 | 0 | 0 | 0 | 114 | I38 P44 | I38-T42 PolarHBondContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.29Å; T42-P44 WeakPolarHBondContact O-CD 3.49Å |
| 43 | A | 47.2 | Very low | 48.1 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 52% | 0.521 | 70% | 0.7 | S | S | . | * | trans | -76.4 | 121.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T45 | A43-T45 PolarHBondContact O-N 2.59Š| ||
| 44 | P | 45.4 | Very low | 47.6 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -70 | 113.6 | 176.9 | 27.3 | -30.2 | 0 | 0 | 0 | 109.7 | T42 S46 | T42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-S46 PolarHBondContact O-N 3.5Å | ||
| 45 | T | 38.8 | Very low | 47.3 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 87% | 0.871 | 73% | 0.728 | S | S | * | * | trans | -80 | 102.8 | 170.5 | 45.9 | 0 | 0 | 0 | 0 | 110 | A43 | A43-T45 PolarHBondContact O-N 2.59Š| ||
| 46 | S | 48.1 | Very low | 47 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -150 | 117 | 154.7 | 57 | 0 | 0 | 0 | 0 | 108.4 | P44 | P44-S46 PolarHBondContact O-N 3.5Š| ||
| 47 | G | 34.4 | Very low | 46.6 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -70.8 | -172.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 48 | V | 43.8 | Very low | 45.7 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 96.9 | 90.7 | 180 | -166.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 49 | E | 35.7 | Very low | 45.3 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 23.5 | 106.6 | 125.5 | -56.8 | 176.8 | -175.2 | 0 | 0 | 117.3 | |||||
| 50 | N | 38.8 | Very low | 44.9 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 162.3 | 134.1 | 118.3 | -88.5 | -60.2 | 0 | 0 | 0 | 113.7 | |||||
| 51 | A | 40.3 | Very low | 44.6 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 61.7 | 100.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 52 | D | 37.4 | Very low | 44.1 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | 18.4 | 102.4 | 129.4 | -66.2 | -35.1 | 0 | 0 | 0 | 117.2 | |||||
| 53 | K | 46.9 | Very low | 44.2 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -160.3 | 88.9 | 150.5 | -101.6 | 159.1 | -149.5 | -173.5 | 0 | 109.2 | S55 | K53-S55 PolarHBondContact O-N 3.11Š| ||
| 54 | S | 44.8 | Very low | 44 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -66.8 | 109.2 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 55 | S | 47.4 | Very low | 44.2 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 111.7 | 173.6 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | K53 | K53-S55 PolarHBondContact O-N 3.11Š| ||
| 56 | R | 49.5 | Very low | 44.4 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -69.3 | 127.6 | 168.5 | -80.9 | 179 | 146.8 | 114.5 | -4 | 108.9 | ||||
| 57 | I | 48.5 | Very low | 44.4 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 112.9 | 167.2 | -63.4 | 150.2 | 0 | 0 | 0 | 106.4 | L59 | I57-L59 HydrophobicContact CG2-CD1 3.78Š| ||
| 58 | D | 42.8 | Very low | 44.8 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -101 | 117.3 | 175.4 | -156.8 | -12.9 | 0 | 0 | 0 | 109 | T60 | D58-T60 PolarHBondContact O-N 3.29Š| ||
| 59 | L | 47.8 | Very low | 45.1 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -100.7 | 70.8 | -176.9 | -124.6 | 82.8 | 0 | 0 | 0 | 109 | I57 | I57-L59 HydrophobicContact CG2-CD1 3.78Š| ||
| 60 | T | 47.4 | Very low | 45.7 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -92.6 | 101.4 | 172.1 | 27.7 | 0 | 0 | 0 | 0 | 110.1 | D58 A62 | D58-T60 PolarHBondContact O-N 3.29Å; T60-A62 PolarHBondContact O-N 2.96Å | ||
| 61 | I | 50 | Low | 45.6 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 104.8 | 171 | -62.2 | 170.1 | 0 | 0 | 0 | 107.5 | H63 | I61-H63 PolarHBondContact O-N 2.9Š| ||
| 62 | A | 43 | Very low | 45.9 | Very low | 99 Ų | 99 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -76.3 | 105.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T60 K64 | T60-A62 PolarHBondContact O-N 2.96Å; A62-K64 PolarHBondContact O-N 3.13Å | ||
| 63 | H | 50.9 | Low | 45.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 120.6 | 164.5 | -88 | -109.2 | 0 | 0 | 0 | 109 | I61 | I61-H63 PolarHBondContact O-N 2.9Š| ||
| 64 | K | 42 | Very low | 45.6 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 107.2 | 169.7 | -171.9 | 174.8 | 179.1 | 177.5 | 0 | 107 | A62 | A62-K64 PolarHBondContact O-N 3.13Š| ||
| 65 | D | 50.9 | Low | 45.2 | Very low | 161 Ų | 161 | 151 Ų | 151 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -106.7 | 121 | 169.5 | -126.7 | -12.1 | 0 | 0 | 0 | 107.4 | ||||
| 66 | D | 42.6 | Very low | 45 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 124.6 | 176.4 | -74.5 | -48.5 | 0 | 0 | 0 | 109 | ||||
| 67 | G | 47.3 | Very low | 44.6 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -176 | 104.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | D | 43.2 | Very low | 43.9 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -28.2 | 131 | 170.1 | -132 | -5.3 | 0 | 0 | 0 | 117.1 | ||||
| 69 | D | 49.4 | Very low | 43.7 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | 163.6 | 118.5 | 128 | -88.8 | -39.7 | 0 | 0 | 0 | 114.4 | |||||
| 70 | K | 48.1 | Very low | 43.2 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | 51.1 | 110.1 | 141.3 | -66.7 | -179.8 | -178.3 | 163.5 | 0 | 122.6 | ||||
| 71 | E | 38.3 | Very low | 42.9 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 50.9 | 100.8 | 124.6 | -160.4 | 169.3 | -159.3 | 0 | 0 | 119 | |||||
| 72 | S | 45.6 | Very low | 42.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -165.2 | 132.7 | 126.1 | 22.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 73 | T | 38.3 | Very low | 42.4 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -54.8 | 133.4 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 74 | N | 40.5 | Very low | 42.1 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -158.4 | 117 | 136.7 | -93.3 | -29.7 | 0 | 0 | 0 | 111.1 | ||||
| 75 | R | 36.8 | Very low | 42.5 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -73 | 125.7 | 169.4 | -72.9 | 172.4 | 166.9 | 169.2 | -4.3 | 109 | ||||
| 76 | I | 42.4 | Very low | 43.1 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -140 | 101.2 | 153.3 | -60.1 | -177.7 | 0 | 0 | 0 | 108.9 | ||||
| 77 | D | 40.2 | Very low | 44.8 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 24.4 | 120.6 | 138.3 | -57.9 | -40 | 0 | 0 | 0 | 121.9 | S79 | D77-S79 PolarHBondContact O-N 3.32Š| ||
| 78 | K | 34 | Very low | 46.4 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -24.4 | 119.9 | 145.1 | -80.6 | 168.8 | 167.2 | 171.9 | 0 | 114 | ||||
| 79 | S | 39 | Very low | 48.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -163.2 | 129.3 | 137.1 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | D77 | D77-S79 PolarHBondContact O-N 3.32Š| ||
| 80 | S | 36.9 | Very low | 49.5 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 47 | 95.2 | 152.9 | 60.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 81 | A | 41.1 | Very low | 51.4 | Low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 127.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q83 | A81-Q83 PolarHBondContact O-N 2.77Š| ||
| 82 | P | 44.1 | Very low | 53.6 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 127.2 | 172.4 | 29.1 | -29.8 | 0 | 0 | 0 | 109.1 | T84 | P82-T84 PolarHBondContact O-N 2.8Š| ||
| 83 | Q | 38.1 | Very low | 55.3 | Low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -63.5 | 97 | 167.6 | -69 | -167.5 | -17.5 | 0 | 0 | 108.7 | A81 | A81-Q83 PolarHBondContact O-N 2.77Š| ||
| 84 | T | 45.6 | Very low | 57.1 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -96.1 | 96 | 167.9 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | P82 G86 | P82-T84 PolarHBondContact O-N 2.8Å; T84-G86 PolarHBondContact O-N 2.87Å | ||
| 85 | S | 49.8 | Very low | 59.1 | Low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 120 | 163.5 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 86 | G | 64.1 | Low | 60.9 | Low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.5 | 13.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | T84 | T84-G86 PolarHBondContact O-N 2.87Š|
| 87 | T | 78.6 | Confident | 62.2 | Low | 101 Ų | 101 | 122.2 Ų | 122.2 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -89.9 | 122.9 | 178.8 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 88 | F | 80 | Confident | 63.7 | Low | 149 Ų | 149 | 119.7 Ų | 119.7 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | trans | -80.5 | 117.8 | 171.6 | -179.8 | -82.2 | 0 | 0 | 0 | 111 | F90 | F88-F90 HydrophobicContact CE1-CB 4.1Å; F88-F90 HydrophobicContact CE1-CD2 4.48Å | ||
| 89 | I | 81 | Confident | 65.2 | Low | 99 Ų | 99 | 118 Ų | 118 | 51% | 0.508 | 67% | 0.671 | S | S | . | * | trans | -106.6 | 123.9 | 168.2 | -61.2 | 157.6 | 0 | 0 | 0 | 108.5 | G91 Q92 R97 | I89-G91 PolarHBondContact O-N 2.92Å; I89-Q92 PolarHBondContact O-N 2.9Å; I89-R97 PolarHBondContact O-NH2 3.38Å | ||
| 90 | F | 76.7 | Confident | 66.4 | Low | 194 Ų | 194 | 119.2 Ų | 119.2 | 85% | 0.851 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 127.7 | 174.7 | -176.6 | -101.8 | 0 | 0 | 0 | 109.9 | F88 | F88-F90 HydrophobicContact CE1-CB 4.1Å; F88-F90 HydrophobicContact CE1-CD2 4.48Å |
| 91 | G | 87.6 | Confident | 67.2 | Low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.4 | -8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I89 | I89-G91 PolarHBondContact O-N 2.92Š|
| 92 | Q | 84.9 | Confident | 67.3 | Low | 87 Ų | 87 | 122 Ų | 122 | 41% | 0.407 | 66% | 0.664 | S | S | . | * | trans | -72.5 | 135.5 | 171.4 | -167.4 | 69.5 | 55.6 | 0 | 0 | 110.6 | I89 D96 R97 | I89-Q92 PolarHBondContact O-N 2.9Å; Q92-D96 PolarHBondContact NE2-OD2 3Å; Q92-R97 VanDerWaalsContact CB-NH2 3.26Å | ||
| 93 | Q | 81.3 | Confident | 67.2 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 67% | 0.665 | S | S | * | * | trans | -64.3 | 136.7 | 177.3 | -67.7 | -71.2 | -8 | 0 | 0 | 111.5 | K95 D96 | Q93-K95 HydrophobicContact CB-CG 4.18Å; Q93-K95 PolarHBondContact O-N 3.01Å; Q93-D96 PolarHBondContact O-N 3.04Å | ||
| 94 | I | 77.2 | Confident | 67.2 | Low | 127 Ų | 127 | 119.8 Ų | 119.8 | 65% | 0.651 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -61.2 | -33.3 | -174.1 | -136.2 | 79.8 | 0 | 0 | 0 | 112.4 | D96 R97 V98 | I94-D96 PolarHBondContact O-N 2.85Å; I94-R97 PolarHBondContact O-N 3.41Å; I94-R97 VanDerWaalsContact O-N 3.1Å; I94-V98 PolarHBondContact O-N 3.4Å |
| 95 | K | 81.6 | Confident | 67.1 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -61.3 | -25.1 | -179 | 69.2 | -177 | -179.1 | 177.4 | 0 | 113.4 | Q93 R97 | Q93-K95 HydrophobicContact CB-CG 4.18Å; Q93-K95 PolarHBondContact O-N 3.01Å; K95-R97 PolarHBondContact O-N 2.97Å |
| 96 | D | 75.7 | Confident | 66.6 | Low | 95 Ų | 95 | 126.5 Ų | 126.5 | 51% | 0.508 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -79.7 | -10.1 | -178.4 | -55.2 | -27.8 | 0 | 0 | 0 | 112.1 | Q92 Q93 I94 | Q92-D96 PolarHBondContact NE2-OD2 3Å; Q93-D96 PolarHBondContact O-N 3.04Å; I94-D96 PolarHBondContact O-N 2.85Å |
| 97 | R | 69.5 | Low | 65.6 | Low | 87 Ų | 87 | 131 Ų | 131 | 33% | 0.328 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.8 | -20.6 | -178.9 | -63.9 | -171.8 | -179 | 155.9 | 11.6 | 114.1 | I89 Q92 I94 K95 K99 | I89-R97 PolarHBondContact O-NH2 3.38Å; Q92-R97 VanDerWaalsContact CB-NH2 3.26Å; I94-R97 PolarHBondContact O-N 3.41Å; I94-R97 VanDerWaalsContact O-N 3.1Å; K95-R97 PolarHBondContact O-N 2.97Å; R97-K99 PolarHBondContact O-N 3.42Å |
| 98 | V | 71.5 | Confident | 63.7 | Low | 89 Ų | 89 | 134.6 Ų | 134.6 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | trans | -81.5 | 98.3 | 179 | -177 | 0 | 0 | 0 | 0 | 108.3 | I94 I100 | I94-V98 PolarHBondContact O-N 3.4Å; V98-I100 HydrophobicContact CG1-CG1 3.81Å; V98-I100 PolarHBondContact O-N 3.39Å | ||
| 99 | K | 66.1 | Low | 61.6 | Low | 176 Ų | 176 | 132.2 Ų | 132.2 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | trans | -80.6 | 107.4 | 160.9 | -69.5 | -175.9 | 179 | -175.5 | 0 | 107.2 | R97 D101 | R97-K99 PolarHBondContact O-N 3.42Å; K99-D101 PolarHBondContact O-N 3.43Å | ||
| 100 | I | 63.5 | Low | 59.4 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -81.2 | 108.9 | 166.9 | -56.9 | 177.1 | 0 | 0 | 0 | 105.5 | V98 T102 | V98-I100 HydrophobicContact CG1-CG1 3.81Å; V98-I100 PolarHBondContact O-N 3.39Å; I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.12Å; I100-T102 PolarHBondContact O-OG1 2.82Å | ||
| 101 | D | 53 | Low | 57.4 | Low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -64.1 | 97.6 | 173.6 | -72.6 | -28.7 | 0 | 0 | 0 | 108.5 | K99 S103 | K99-D101 PolarHBondContact O-N 3.43Å; D101-S103 PolarHBondContact O-N 3.11Å | ||
| 102 | T | 43.7 | Very low | 55 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | trans | -92.9 | 74.2 | 178.7 | -43.7 | 0 | 0 | 0 | 0 | 107.9 | I100 | I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.12Å; I100-T102 PolarHBondContact O-OG1 2.82Å | ||
| 103 | S | 43.1 | Very low | 52.7 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -93.4 | 85.8 | 160.3 | 60.9 | 0 | 0 | 0 | 0 | 108.4 | D101 | D101-S103 PolarHBondContact O-N 3.11Š| ||
| 104 | N | 37.3 | Very low | 50.8 | Low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | 162.6 | 96.3 | 147.9 | -89.4 | -5 | 0 | 0 | 0 | 108.2 | E106 | N104-E106 PolarHBondContact O-N 3.43Š| ||
| 105 | E | 43.6 | Very low | 49.2 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -71 | 102.8 | 151.5 | -73.6 | -162.8 | 155.2 | 0 | 0 | 107.6 | ||||
| 106 | E | 39.3 | Very low | 47.5 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 163.2 | 101.1 | 147.2 | -97.2 | -179.5 | 168.3 | 0 | 0 | 105.1 | N104 | N104-E106 PolarHBondContact O-N 3.43Š| ||
| 107 | L | 41.7 | Very low | 45.9 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 76% | 0.756 | S | S | * | * | trans | 177.5 | 111.3 | 130.6 | -90.1 | 159.5 | 0 | 0 | 0 | 108.5 | ||||
| 108 | E | 39.1 | Very low | 44.6 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 147.6 | 173.7 | -58.8 | -172.8 | 138.3 | 0 | 0 | 111.7 | ||||
| 109 | S | 35.5 | Very low | 43.5 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 33.6 | 101.3 | 148.5 | 60.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 110 | T | 35.6 | Very low | 42.7 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -171.8 | 118.1 | 133 | 21.9 | 0 | 0 | 0 | 0 | 109.2 | D112 | T110-D112 PolarHBondContact O-N 3.05Š| ||
| 111 | S | 34.9 | Very low | 41.9 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -6.8 | 113.6 | 148.2 | 44.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 112 | D | 36.1 | Very low | 41.9 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | -167.9 | 120.4 | 123.2 | -107.3 | -21 | 0 | 0 | 0 | 111.6 | T110 T114 | T110-D112 PolarHBondContact O-N 3.05Å; D112-T114 PolarHBondContact O-N 3.3Å | |||
| 113 | A | 37.2 | Very low | 42.3 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 83.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 114 | T | 41.2 | Very low | 42.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 64% | 0.638 | 76% | 0.757 | S | S | * | * | trans | -160.7 | 102.4 | 170.6 | 14.8 | 0 | 0 | 0 | 0 | 109.3 | D112 | D112-T114 PolarHBondContact O-N 3.3Š| ||
| 115 | Q | 44.4 | Very low | 43.2 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | 155.9 | 77.2 | 149.2 | -84.7 | 163.1 | 84.3 | 0 | 0 | 110.4 | ||||
| 116 | L | 44.8 | Very low | 43.6 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -105.4 | 113.4 | 151.3 | -82.2 | 169.9 | 0 | 0 | 0 | 106.9 | G118 | L116-G118 PolarHBondContact O-N 3Š| ||
| 117 | P | 42.7 | Very low | 44.1 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 122.3 | 178.9 | 29.1 | -29.7 | 0 | 0 | 0 | 108.6 | ||
| 118 | G | 42.6 | Very low | 44.2 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.9 | -9.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | L116 | L116-G118 PolarHBondContact O-N 3Š|
| 119 | F | 48.9 | Very low | 44.2 | Very low | 185 Ų | 185 | 123 Ų | 123 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -119.9 | -1.8 | 178 | -74.2 | -82.4 | 0 | 0 | 0 | 114.8 | ||
| 120 | H | 48.6 | Very low | 44.7 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 53% | 0.528 | 74% | 0.743 | S | S | . | * | trans | -76.6 | -27.7 | -172.7 | 167.2 | -83.5 | 0 | 0 | 0 | 114.5 | L122 A123 T124 | H120-L122 PolarHBondContact O-N 3.23Å; H120-L122 VanDerWaalsContact O-N 3.12Å; H120-A123 PolarHBondContact O-N 3.47Å; H120-T124 WeakPolarHBondContact CE1-CG2 3.5Å; H120-T124 PolarHBondContact CE1-OG1 3.42Å; H120-T124 PolarHBondContact ND1-OG1 3.36Å; H120-T124 WeakPolarHBondContact NE2-CG2 3.15Å; H120-T124 PolarHBondContact O-N 3.42Å; H120-T124 PolarHBondContact O-OG1 3.01Å; H120-T124 VanDerWaalsContact O-OG1 3.07Å | ||
| 121 | D | 47.1 | Very low | 45 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -171 | -107.6 | 1 | 0 | 0 | 0 | 114.3 | ||
| 122 | L | 52.7 | Low | 45.5 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -20.3 | 175.3 | -165.6 | 61.6 | 0 | 0 | 0 | 112.9 | H120 | H120-L122 PolarHBondContact O-N 3.23Å; H120-L122 VanDerWaalsContact O-N 3.12Å |
| 123 | A | 52.5 | Low | 45.8 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -24.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H120 | H120-A123 PolarHBondContact O-N 3.47Š|
| 124 | T | 51.8 | Low | 46.4 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 37% | 0.374 | 74% | 0.744 | S | S | . | * | G | 310 helix | trans | -82.9 | -15.9 | -176.3 | 22.5 | 0 | 0 | 0 | 0 | 116.8 | H120 T126 | H120-T124 WeakPolarHBondContact CE1-CG2 3.5Å; H120-T124 PolarHBondContact CE1-OG1 3.42Å; H120-T124 PolarHBondContact ND1-OG1 3.36Å; H120-T124 WeakPolarHBondContact NE2-CG2 3.15Å; H120-T124 PolarHBondContact O-N 3.42Å; H120-T124 PolarHBondContact O-OG1 3.01Å; H120-T124 VanDerWaalsContact O-OG1 3.07Å; T124-T126 PolarHBondContact O-N 2.97Å |
| 125 | E | 47.5 | Very low | 46.6 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -70.6 | -12.7 | 173.9 | -98.1 | -172.2 | 151.1 | 0 | 0 | 113.1 | ||
| 126 | T | 50.4 | Low | 46.9 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -98.2 | -1.5 | -176.6 | -43.9 | 0 | 0 | 0 | 0 | 113.5 | T124 | T124-T126 PolarHBondContact O-N 2.97Š|
| 127 | A | 50.5 | Low | 47 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 60% | 0.603 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -100 | -0.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 128 | N | 44.9 | Very low | 47.2 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -124.4 | 86.1 | 178.8 | -89.6 | -13.9 | 0 | 0 | 0 | 111.6 | ||
| 129 | G | 39.2 | Very low | 47.9 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 164.4 | 83.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 130 | N | 45.9 | Very low | 48.4 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | 11.5 | 127.1 | 152.8 | -67.1 | -16.9 | 0 | 0 | 0 | 119.5 | ||||
| 131 | N | 41.8 | Very low | 48.8 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 93.7 | 123.8 | 144.6 | -68.1 | -13.6 | 0 | 0 | 0 | 119.8 | ||||
| 132 | S | 44.3 | Very low | 49.4 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 67.8 | 104.5 | 157 | 60 | 0 | 0 | 0 | 0 | 119 | H134 | S132-H134 PolarHBondContact O-N 3.3Š| ||
| 133 | E | 43.5 | Very low | 49.8 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | trans | 45.9 | 72.3 | 135.3 | -64.9 | 178 | 162 | 0 | 0 | 116.6 | ||||
| 134 | H | 49.8 | Very low | 50.6 | Low | 177 Ų | 177 | 131.7 Ų | 131.7 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | trans | -114.6 | 103.7 | 158.2 | -111.1 | -87.1 | 0 | 0 | 0 | 109.9 | S132 | S132-H134 PolarHBondContact O-N 3.3Š| ||
| 135 | H | 45.7 | Very low | 51.3 | Low | 119 Ų | 119 | 132.8 Ų | 132.8 | 55% | 0.551 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 139.4 | 167.8 | 76.5 | -74.8 | 0 | 0 | 0 | 109.7 | T137 | H135-T137 WeakPolarHBondContact CD2-CB 3.29Å; H135-T137 PolarHBondContact CD2-N 3.25Å; H135-T137 PolarHBondContact CD2-OG1 3.01Å; H135-T137 VanDerWaalsContact CD2-OG1 3.31Å; H135-T137 VanDerWaalsContact NE2-CB 3.32Å; H135-T137 WeakPolarHBondContact NE2-CB 3.29Å; H135-T137 PolarHBondContact NE2-O 3.34Å; H135-T137 PolarHBondContact O-N 3.48Å | ||
| 136 | P | 49.4 | Very low | 52.3 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -83.2 | 74.7 | 171.7 | 33.1 | -29.7 | 0 | 0 | 0 | 107.9 | ||
| 137 | T | 47.6 | Very low | 53 | Low | 95 Ų | 95 | 130 Ų | 130 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | trans | -136.1 | 81.4 | 164.4 | -48 | 0 | 0 | 0 | 0 | 107.9 | H135 | H135-T137 WeakPolarHBondContact CD2-CB 3.29Å; H135-T137 PolarHBondContact CD2-N 3.25Å; H135-T137 PolarHBondContact CD2-OG1 3.01Å; H135-T137 VanDerWaalsContact CD2-OG1 3.31Å; H135-T137 VanDerWaalsContact NE2-CB 3.32Å; H135-T137 WeakPolarHBondContact NE2-CB 3.29Å; H135-T137 PolarHBondContact NE2-O 3.34Å; H135-T137 PolarHBondContact O-N 3.48Å | ||
| 138 | D | 46.6 | Very low | 53.4 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | trans | -152.3 | 98.7 | 151.7 | -134.4 | -5.6 | 0 | 0 | 0 | 109.7 | T140 | D138-T140 WeakPolarHBondContact CB-OG1 3.31Å; D138-T140 VanDerWaalsContact CG-CB 3.43Å; D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 VanDerWaalsContact OD1-CG2 3.28Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.39Å; D138-T140 PolarHBondContact OD1-N 3.5Å; D138-T140 PolarHBondContact OD1-OG1 3.19Å; D138-T140 WeakPolarHBondContact OD2-CB 3.33Å; D138-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D138-T140 PolarHBondContact OD2-OG1 2.91Å | ||
| 139 | W | 58.1 | Low | 54 | Low | 262 Ų | 262 | 130.3 Ų | 130.3 | 99% | 0.992 | 74% | 0.739 | S | S | * | * | trans | -71.9 | 35.2 | 151.9 | -71.2 | 96 | 0 | 0 | 0 | 109.2 | Q141 | W139-Q141 VanDerWaalsContact C-N 3.32Å; W139-Q141 PolarHBondContact O-N 2.91Å | ||
| 140 | T | 58.1 | Low | 55.1 | Low | 84 Ų | 84 | 135 Ų | 135 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | trans | -58.9 | 104.3 | 173.9 | 14.7 | 0 | 0 | 0 | 0 | 106.3 | D138 V142 | D138-T140 WeakPolarHBondContact CB-OG1 3.31Å; D138-T140 VanDerWaalsContact CG-CB 3.43Å; D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 VanDerWaalsContact OD1-CG2 3.28Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.39Å; D138-T140 PolarHBondContact OD1-N 3.5Å; D138-T140 PolarHBondContact OD1-OG1 3.19Å; D138-T140 WeakPolarHBondContact OD2-CB 3.33Å; D138-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D138-T140 PolarHBondContact OD2-OG1 2.91Å; T140-V142 PolarHBondContact O-N 2.94Å | ||
| 141 | Q | 58 | Low | 55.6 | Low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 13.6 | 87 | 149.1 | -57 | -173 | 21.7 | 0 | 0 | 111.8 | W139 T143 | W139-Q141 VanDerWaalsContact C-N 3.32Å; W139-Q141 PolarHBondContact O-N 2.91Å; Q141-T143 PolarHBondContact O-N 3.35Å | ||
| 142 | V | 58.3 | Low | 56.2 | Low | 145 Ų | 145 | 131.2 Ų | 131.2 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -65.5 | 78.7 | 152.5 | -178.7 | 0 | 0 | 0 | 0 | 104.4 | T140 A144 | T140-V142 PolarHBondContact O-N 2.94Å; V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 2.86Å | ||
| 143 | T | 61.9 | Low | 57.1 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 106.6 | 167.2 | -48.7 | 0 | 0 | 0 | 0 | 103.7 | Q141 A145 | Q141-T143 PolarHBondContact O-N 3.35Å; T143-A145 PolarHBondContact O-N 3.35Å | ||
| 144 | A | 68.8 | Low | 58.1 | Low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | trans | -50.3 | 111 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | V142 P146 | V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 2.86Å; A144-P146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | A | 67.1 | Low | 59 | Low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | trans | -55.1 | 124.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | T143 D147 | T143-A145 PolarHBondContact O-N 3.35Å; A145-D147 PolarHBondContact O-N 3.15Å; A145-D147 VanDerWaalsContact O-N 3.08Å | ||
| 146 | P | 67.8 | Low | 60.6 | Low | 81 Ų | 81 | 133.2 Ų | 133.2 | 53% | 0.526 | 73% | 0.73 | S | S | . | * | trans | -56.3 | 126.2 | 177.7 | 22.4 | -30.1 | 0 | 0 | 0 | 106.6 | A144 I148 | A144-P146 VanDerWaalsContact O-N 3.13Å; P146-I148 HydrophobicContact CB-CG1 4.26Å; P146-I148 HydrophobicContact CG-CD1 4.34Å; P146-I148 HydrophobicContact CG-CG1 4.1Å; P146-I148 WeakPolarHBondContact O-CG1 3.33Å; P146-I148 PolarHBondContact O-N 3.03Å | ||
| 147 | D | 66.6 | Low | 62.1 | Low | 166 Ų | 166 | 135.7 Ų | 135.7 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -66.4 | 92.6 | 170.4 | -115 | -21 | 0 | 0 | 0 | 106.2 | A145 C149 | A145-D147 PolarHBondContact O-N 3.15Å; A145-D147 VanDerWaalsContact O-N 3.08Å; D147-C149 PolarHBondContact O-N 3.27Å | ||
| 148 | I | 59.1 | Low | 64 | Low | 120 Ų | 120 | 137.2 Ų | 137.2 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | -77.7 | 70.7 | -178.7 | -56.3 | 174.4 | 0 | 0 | 0 | 107.6 | P146 R150 | P146-I148 HydrophobicContact CB-CG1 4.26Å; P146-I148 HydrophobicContact CG-CD1 4.34Å; P146-I148 HydrophobicContact CG-CG1 4.1Å; P146-I148 WeakPolarHBondContact O-CG1 3.33Å; P146-I148 PolarHBondContact O-N 3.03Å; I148-R150 HydrophobicContact CG2-CB 3.75Å; I148-R150 HydrophobicContact CG2-CG 4.07Å | ||
| 149 | C | 57.3 | Low | 65.9 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | trans | -86.6 | 33.1 | 135.7 | -85.5 | 0 | 0 | 0 | 0 | 109.1 | D147 P151 | D147-C149 PolarHBondContact O-N 3.27Å; C149-P151 WeakPolarHBondContact O-CD 3.43Å | ||
| 150 | R | 60.7 | Low | 67.5 | Low | 169 Ų | 169 | 131.5 Ų | 131.5 | 64% | 0.638 | 72% | 0.719 | S | S | * | * | trans | -59.1 | 126.4 | 165.9 | -70.7 | -177.2 | 170.3 | -145.5 | -2.4 | 106 | I148 S152 | I148-R150 HydrophobicContact CG2-CB 3.75Å; I148-R150 HydrophobicContact CG2-CG 4.07Å; R150-S152 PolarHBondContact O-N 3.2Å | ||
| 151 | P | 56.8 | Low | 68.9 | Low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | trans | -51 | 111.3 | 166.4 | -20.9 | 31.3 | 0 | 0 | 0 | 107.4 | C149 E153 | C149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-E153 PolarHBondContact O-N 3.03Å | ||
| 152 | S | 54 | Low | 70.4 | Confident | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -57.6 | 127.7 | 168 | 53.5 | 0 | 0 | 0 | 0 | 106.9 | R150 | R150-S152 PolarHBondContact O-N 3.2Š|
| 153 | E | 64 | Low | 71.9 | Confident | 134 Ų | 134 | 118.6 Ų | 118.6 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 98.7 | 96.3 | -165.7 | -58.3 | 168.9 | -159.8 | 0 | 0 | 112 | P151 K155 | P151-E153 PolarHBondContact O-N 3.03Å; E153-K155 HydrophobicContact CB-CG 4.31Å; E153-K155 PolarHBondContact O-N 2.94Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.76Å; E153-K155 PolarHBondContact OE2-NZ 3.21Å |
| 154 | E | 64.4 | Low | 73.3 | Confident | 187 Ų | 187 | 119.5 Ų | 119.5 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -60 | 76.9 | 159.3 | -64.3 | 179 | 168.4 | 0 | 0 | 108.6 | D156 | E154-D156 PolarHBondContact O-N 3.32Š| ||
| 155 | K | 69.4 | Low | 74.4 | Confident | 150 Ų | 150 | 122.1 Ų | 122.1 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | trans | -76.8 | 102.2 | 168 | -78.9 | 178 | 177.4 | 141.3 | 0 | 106.9 | E153 Y157 | E153-K155 HydrophobicContact CB-CG 4.31Å; E153-K155 PolarHBondContact O-N 2.94Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.76Å; E153-K155 PolarHBondContact OE2-NZ 3.21Å; K155-Y157 WeakPolarHBondContact O-CD1 3.32Å; K155-Y157 PolarHBondContact O-N 3.23Å | ||
| 156 | D | 79.7 | Confident | 75.8 | Confident | 163 Ų | 163 | 120.2 Ų | 120.2 | 87% | 0.872 | 64% | 0.637 | S | S | * | * | trans | -56.7 | 103.2 | 162.5 | -74.3 | -21.2 | 0 | 0 | 0 | 107.9 | E154 | E154-D156 PolarHBondContact O-N 3.32Š| ||
| 157 | Y | 80.8 | Confident | 77.1 | Confident | 184 Ų | 184 | 118.9 Ų | 118.9 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -93.5 | 125.8 | 170.6 | 58.5 | -88.8 | 0 | 0 | 0 | 108.3 | K155 I159 | K155-Y157 WeakPolarHBondContact O-CD1 3.32Å; K155-Y157 PolarHBondContact O-N 3.23Å; Y157-I159 HydrophobicContact CD2-CG1 3.96Å; Y157-I159 HydrophobicContact CE2-CD1 4.29Å; Y157-I159 HydrophobicContact CE2-CG1 3.71Å; Y157-I159 PolarHBondContact O-N 2.68Å | ||
| 158 | T | 87.2 | Confident | 78.6 | Confident | 127 Ų | 127 | 114.7 Ų | 114.7 | 78% | 0.779 | 61% | 0.607 | S | S | * | * | trans | -69.6 | 121.5 | 167.3 | -53.5 | 0 | 0 | 0 | 0 | 108.3 | I160 | T158-I160 PolarHBondContact O-N 3.31Š| ||
| 159 | I | 87 | Confident | 80.4 | Confident | 134 Ų | 134 | 112.4 Ų | 112.4 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | trans | -72.6 | 113 | 176.4 | -60 | 172.1 | 0 | 0 | 0 | 107.8 | Y157 | Y157-I159 HydrophobicContact CD2-CG1 3.96Å; Y157-I159 HydrophobicContact CE2-CD1 4.29Å; Y157-I159 HydrophobicContact CE2-CG1 3.71Å; Y157-I159 PolarHBondContact O-N 2.68Å | ||
| 160 | I | 89.7 | Confident | 82.3 | Confident | 128 Ų | 128 | 107.1 Ų | 107.1 | 66% | 0.656 | 56% | 0.559 | S | S | * | * | trans | -103.3 | 130.6 | 174.8 | -60.7 | 171.6 | 0 | 0 | 0 | 108.1 | T158 E164 | T158-I160 PolarHBondContact O-N 3.31Å; I160-E164 HydrophobicContact CG2-CG 4.4Å | ||
| 161 | T | 88.8 | Confident | 84.1 | Confident | 54 Ų | 54 | 103.9 Ų | 103.9 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | trans | -80.9 | -22 | -177.4 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | E163 E164 R212 | T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 PolarHBondContact OG1-N 3.01Å; T161-E163 VanDerWaalsContact OG1-N 3.11Å; T161-E164 WeakPolarHBondContact CB-OE1 3.4Å; T161-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T161-E164 PolarHBondContact OG1-OE1 3.25Å; T161-R212 PolarHBondContact O-NH2 2.75Å | ||
| 162 | G | 90.1 | Very high | 86.1 | Confident | 52 Ų | 52 | 99 Ų | 99 | 54% | 0.536 | 52% | 0.518 | S | S | . | . | S | Bend | trans | 74.8 | 12.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R208 | G162-R208 PolarHBondContact O-NH2 3.27Š|
| 163 | E | 89.7 | Confident | 88.2 | Confident | 18 Ų | 18 | 97.3 Ų | 97.3 | 8% | 0.084 | 51% | 0.507 | C | S | . | . | trans | -115.7 | 4 | 177.6 | -66.5 | 169 | -142.2 | 0 | 0 | 112.2 | T161 D165 E166 R195 N197 V210 R212 | T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 PolarHBondContact OG1-N 3.01Å; T161-E163 VanDerWaalsContact OG1-N 3.11Å; E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.18Å; E163-E166 PolarHBondContact O-N 2.94Å; E163-R195 IonicContact OE2-CZ 3.42Å; E163-R195 IonicContact OE2-NH1 3.58Å; E163-R195 PolarHBondContact OE2-NH1 3.36Å; E163-N197 PolarHBondContact OE2-ND2 2.87Å; E163-V210 WeakPolarHBondContact OE1-CG1 3.36Å; E163-R212 IonicContact OE1-CZ 3.99Å; E163-R212 IonicContact OE1-NE 2.96Å; E163-R212 PolarHBondContact OE1-NE 3.01Å; E163-R212 IonicContact OE1-NH2 3.99Å; E163-R212 PolarHBondContact OE1-NH2 3.18Å | ||
| 164 | E | 89.6 | Confident | 89.8 | Confident | 126 Ų | 126 | 91.2 Ų | 91.2 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26 | -170.6 | -51.5 | -58.2 | 140.9 | 0 | 0 | 114 | I160 T161 E166 | I160-E164 HydrophobicContact CG2-CG 4.4Å; T161-E164 WeakPolarHBondContact CB-OE1 3.4Å; T161-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T161-E164 PolarHBondContact OG1-OE1 3.25Å; E164-E166 VanDerWaalsContact C-N 3.31Å |
| 165 | D | 92.4 | Very high | 91.5 | Very high | 139 Ų | 139 | 84.3 Ų | 84.3 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 14.5 | -179.5 | -56.5 | -46.4 | 0 | 0 | 0 | 112.9 | E163 | E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.18Å |
| 166 | E | 96.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 77.1 Ų | 77.1 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -123.8 | 147.6 | -174.5 | -49.9 | -175.5 | 157.8 | 0 | 0 | 112.3 | E163 E164 N197 K199 R208 | E163-E166 PolarHBondContact O-N 2.94Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E166-N197 HydrophobicContact CB-CB 3.97Å; E166-N197 WeakPolarHBondContact OE2-CB 3.31Å; E166-N197 PolarHBondContact OE2-ND2 2.67Å; E166-N197 VanDerWaalsContact OE2-ND2 3.13Å; E166-K199 HydrophobicContact CG-CB 4.16Å; E166-R208 VanDerWaalsContact CD-CZ 3.49Å; E166-R208 VanDerWaalsContact CD-NE 3.26Å; E166-R208 IonicContact OE1-CZ 2.68Å; E166-R208 IonicContact OE1-NE 2.69Å; E166-R208 PolarHBondContact OE1-NE 3.05Å; E166-R208 IonicContact OE1-NH1 3.34Å; E166-R208 IonicContact OE1-NH2 3.27Å; E166-R208 PolarHBondContact OE1-NH2 2.78Å; E166-R208 IonicContact OE2-CZ 3.04Å; E166-R208 IonicContact OE2-NE 2.9Å; E166-R208 PolarHBondContact OE2-NE 2.9Å; E166-R208 IonicContact OE2-NH2 2.92Å; E166-R208 PolarHBondContact OE2-NH2 2.8Å |
| 167 | S | 96.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 72 Ų | 72 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.6 | 172.5 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | L169 N197 E198 | S167-L169 PolarHBondContact O-N 2.95Å; S167-N197 CarbonylContact O-C 3.49Å; S167-N197 VanDerWaalsContact O-CA 3.24Å; S167-N197 WeakPolarHBondContact O-CA 3.35Å; S167-E198 PolarHBondContact N-O 2.85Å; S167-E198 PolarHBondContact O-N 2.92Å; S167-E198 PolarHBondContact OG-O 2.79Å |
| 168 | N | 97.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.6 | 173.9 | -176.8 | -109.1 | 0 | 0 | 0 | 110 | I170 I196 N197 | N168-I170 PolarHBondContact ND2-O 3.48Å; N168-I170 PolarHBondContact OD1-O 2.98Å; N168-I196 PolarHBondContact ND2-O 2.99Å; N168-N197 PolarHBondContact ND2-OD1 3.43Å |
| 169 | L | 97.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 61 Ų | 61 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -38.7 | 177.8 | -60.2 | -176 | 0 | 0 | 0 | 111.8 | S167 I196 E198 T207 V270 | S167-L169 PolarHBondContact O-N 2.95Å; L169-I196 HydrophobicContact CD1-CG2 4.16Å; L169-I196 PolarHBondContact N-O 3.15Å; L169-E198 HydrophobicContact CD1-CB 3.95Å; L169-E198 HydrophobicContact CD2-CB 4.15Å; L169-E198 HydrophobicContact CG-CB 4.03Å; L169-T207 HydrophobicContact CD1-CG2 4.2Å; L169-V270 HydrophobicContact CB-CG1 4Å; L169-V270 HydrophobicContact CD1-CG1 3.96Å |
| 170 | I | 98.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 146.8 | 177.2 | 176.5 | 154.2 | 0 | 0 | 0 | 110.6 | N168 I172 R195 I196 E266 V267 V270 | N168-I170 PolarHBondContact ND2-O 3.48Å; N168-I170 PolarHBondContact OD1-O 2.98Å; I170-I172 HydrophobicContact CD1-CG2 3.85Å; I170-I172 HydrophobicContact CG1-CG2 3.81Å; I170-R195 WeakPolarHBondContact O-CA 3.47Å; I170-I196 HydrophobicContact CG2-CB 3.71Å; I170-I196 HydrophobicContact CG2-CD1 3.63Å; I170-I196 HydrophobicContact CG2-CG1 3.73Å; I170-I196 PolarHBondContact O-N 2.87Å; I170-E266 HydrophobicContact CD1-CB 3.82Å; I170-E266 HydrophobicContact CD1-CG 3.34Å; I170-V267 HydrophobicContact CD1-CG2 3.6Å; I170-V267 HydrophobicContact CG1-CG2 4.1Å; I170-V267 HydrophobicContact CG2-CG2 4.41Å; I170-V270 HydrophobicContact CG2-CB 4.27Å; I170-V270 HydrophobicContact CG2-CG1 4.12Å; I170-V270 HydrophobicContact CG2-CG2 4.21Å |
| 171 | Q | 98 | Very high | 95.7 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.3 | 169.8 | -176.6 | -178.1 | -83.4 | 0 | 0 | 110.3 | T193 L194 R195 | Q171-T193 HydrophobicContact CG-CG2 3.58Å; Q171-L194 CarbonylContact C-O 3.49Å; Q171-L194 VanDerWaalsContact CA-O 3.29Å; Q171-L194 WeakPolarHBondContact CA-O 3.34Å; Q171-R195 HydrophobicContact CB-CG 4.21Å; Q171-R195 HydrophobicContact CG-CG 3.89Å; Q171-R195 VanDerWaalsContact OE1-CZ 3.23Å |
| 172 | I | 98.4 | Very high | 96 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.8 | 177.4 | 67.2 | 159.3 | 0 | 0 | 0 | 111.7 | I170 C174 T193 L194 I257 D263 I264 V267 | I170-I172 HydrophobicContact CD1-CG2 3.85Å; I170-I172 HydrophobicContact CG1-CG2 3.81Å; I172-C174 HydrophobicContact CD1-CB 4.18Å; I172-T193 WeakPolarHBondContact O-CA 2.96Å; I172-L194 HydrophobicContact CG1-CB 4.02Å; I172-L194 HydrophobicContact CG1-CD2 4.28Å; I172-L194 PolarHBondContact N-O 3.16Å; I172-L194 PolarHBondContact O-N 2.89Å; I172-I257 HydrophobicContact CD1-CD1 4.38Å; I172-D263 HydrophobicContact CB-CB 4.15Å; I172-D263 HydrophobicContact CD1-CB 4.17Å; I172-D263 HydrophobicContact CG2-CB 3.77Å; I172-I264 HydrophobicContact CD1-CD1 4.44Å; I172-V267 HydrophobicContact CD1-CG2 3.61Å; I172-V267 HydrophobicContact CG1-CG2 3.94Å; I172-V267 HydrophobicContact CG2-CG2 4.05Å |
| 173 | S | 98.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.2 | 166.3 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | Q214 | S173-Q214 PolarHBondContact OG-NE2 3.09Å |
| 174 | C | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 167.6 | -178 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | I172 S192 I257 L258 | I172-C174 HydrophobicContact CD1-CB 4.18Å; C174-S192 PolarHBondContact N-O 3.32Å; C174-S192 CarbonylContact O-C 3.52Å; C174-S192 WeakPolarHBondContact O-CA 3.21Å; C174-S192 PolarHBondContact O-N 2.8Å; C174-I257 HydrophobicContact CB-CB 4.25Å; C174-L258 CarbonylContact C-O 3.58Å; C174-L258 VanDerWaalsContact CA-O 3.29Å; C174-L258 WeakPolarHBondContact CA-O 3.38Å; C174-L258 WeakPolarHBondContact CB-O 3.32Å |
| 175 | K | 98.3 | Very high | 97 | Very high | 42 Ų | 42 | 67.4 Ų | 67.4 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.9 | 167.4 | -171.8 | 168.7 | 179.3 | 177.9 | 0 | 109.4 | Y177 D188 Y191 I257 L258 | K175-Y177 HydrophobicContact CB-CE2 4.35Å; K175-Y177 HydrophobicContact CD-CE2 4.11Å; K175-Y177 WeakPolarHBondContact CD-OH 3.29Å; K175-Y177 VanDerWaalsContact CE-OH 3.25Å; K175-Y177 WeakPolarHBondContact CE-OH 3.24Å; K175-Y177 HydrophobicContact CG-CE2 3.88Å; K175-Y177 PolarHBondContact NZ-OH 2.69Å; K175-D188 WeakPolarHBondContact CE-OD1 3.35Å; K175-D188 WeakPolarHBondContact CE-OD2 3.44Å; K175-D188 IonicContact NZ-OD1 2.67Å; K175-D188 IonicContact NZ-OD2 3.19Å; K175-D188 PolarHBondContact NZ-OD2 2.75Å; K175-Y191 HydrophobicContact CB-CD1 4.39Å; K175-I257 CarbonylContact O-C 3.54Å; K175-I257 WeakPolarHBondContact O-CA 3.2Å; K175-L258 HydrophobicContact CB-CB 4.39Å; K175-L258 PolarHBondContact N-O 3.03Å; K175-L258 PolarHBondContact O-N 2.87Å |
| 176 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.9 | -177.4 | 176.5 | 65.9 | 0 | 0 | 0 | 111 | V178 K189 G190 S192 I211 I220 C255 I257 | L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.38Å; L176-K189 HydrophobicContact CB-CB 4.22Å; L176-K189 HydrophobicContact CD2-CB 4.01Å; L176-K189 HydrophobicContact CD2-CG 4.22Å; L176-K189 HydrophobicContact CG-CB 4.08Å; L176-K189 HydrophobicContact CG-CG 4.34Å; L176-K189 PolarHBondContact O-N 2.92Å; L176-G190 PolarHBondContact N-O 3.09Å; L176-S192 WeakPolarHBondContact CB-OG 3.33Å; L176-I211 HydrophobicContact CD1-CD1 4.12Å; L176-I211 HydrophobicContact CD2-CG2 4.03Å; L176-I220 HydrophobicContact CD2-CB 4.13Å; L176-I220 HydrophobicContact CD2-CG2 3.68Å; L176-C255 HydrophobicContact CD1-CB 4.16Å; L176-I257 HydrophobicContact CD1-CG2 4.05Å |
| 177 | Y | 98.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 66.7 Ų | 66.7 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.4 | 167.4 | -59 | -93.1 | 0 | 0 | 0 | 109.7 | K175 L187 D188 C255 L256 L258 | K175-Y177 HydrophobicContact CB-CE2 4.35Å; K175-Y177 HydrophobicContact CD-CE2 4.11Å; K175-Y177 WeakPolarHBondContact CD-OH 3.29Å; K175-Y177 VanDerWaalsContact CE-OH 3.25Å; K175-Y177 WeakPolarHBondContact CE-OH 3.24Å; K175-Y177 HydrophobicContact CG-CE2 3.88Å; K175-Y177 PolarHBondContact NZ-OH 2.69Å; Y177-L187 VanDerWaalsContact CA-O 3.31Å; Y177-L187 WeakPolarHBondContact CA-O 3.44Å; Y177-D188 HydrophobicContact CD1-CB 4.12Å; Y177-D188 HydrophobicContact CE1-CB 3.96Å; Y177-C255 WeakPolarHBondContact O-CA 3.4Å; Y177-L256 PolarHBondContact N-O 2.84Å; Y177-L256 PolarHBondContact O-N 3.05Å; Y177-L258 HydrophobicContact CE2-CB 4.32Å |
| 178 | V | 97.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.8 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 108.3 | L176 D180 L187 K189 L253 | L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.38Å; V178-D180 PolarHBondContact O-N 2.74Å; V178-L187 PolarHBondContact N-O 2.71Å; V178-L187 WeakPolarHBondContact O-CB 3.21Å; V178-L187 PolarHBondContact O-N 3.1Å; V178-K189 HydrophobicContact CB-CG 4.29Å; V178-K189 HydrophobicContact CG2-CG 3.8Å; V178-L253 HydrophobicContact CG1-CB 4.19Å; V178-L253 HydrophobicContact CG1-CD1 4.38Å; V178-L253 HydrophobicContact CG1-CD2 3.95Å; V178-L253 HydrophobicContact CG1-CG 4.4Å; V178-L253 HydrophobicContact CG2-CD1 4.33Å |
| 179 | F | 98 | Very high | 97.3 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.3 | 177.8 | -170 | -107.6 | 0 | 0 | 0 | 110.5 | W186 T254 | F179-W186 HydrophobicContact CB-CD2 4.21Å; F179-W186 HydrophobicContact CB-CE3 3.87Å; F179-W186 HydrophobicContact CB-CH2 4.02Å; F179-W186 HydrophobicContact CB-CZ2 4.32Å; F179-W186 HydrophobicContact CB-CZ3 3.78Å; F179-W186 AromaticContact CD2-CD2 3.86Å; F179-W186 HydrophobicContact CD2-CD2 3.86Å; F179-W186 AromaticContact CD2-CE2 3.7Å; F179-W186 HydrophobicContact CD2-CE3 4.39Å; F179-W186 HydrophobicContact CD2-CG 4.11Å; F179-W186 HydrophobicContact CD2-CZ2 4.15Å; F179-W186 AromaticContact CD2-NE1 3.79Å; F179-T254 HydrophobicContact CB-CG2 4.22Å; F179-T254 PolarHBondContact N-O 3.05Å |
| 180 | D | 96.2 | Very high | 97.3 | Very high | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 110.6 | 171.1 | -177.8 | -5.8 | 0 | 0 | 0 | 109.4 | V178 N182 N183 G184 T185 L187 | V178-D180 PolarHBondContact O-N 2.74Å; D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.98Å; D180-N182 WeakPolarHBondContact OD1-CB 3.33Å; D180-N182 PolarHBondContact OD1-N 3.35Å; D180-N183 HydrophobicContact CB-CB 4.5Å; D180-N183 PolarHBondContact OD1-N 2.97Å; D180-N183 PolarHBondContact OD2-OD1 2.83Å; D180-G184 WeakPolarHBondContact O-CA 3.39Å; D180-G184 PolarHBondContact O-N 3.04Å; D180-T185 HydrophobicContact CB-CG2 4.34Å; D180-T185 PolarHBondContact N-O 3.38Å; D180-T185 PolarHBondContact O-N 2.9Å; D180-L187 HydrophobicContact CB-CD1 3.76Å; D180-L187 HydrophobicContact CB-CG 3.84Å |
| 181 | R | 94.2 | Very high | 97.3 | Very high | 224 Ų | 224 | 72.7 Ų | 72.7 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.7 | -179.2 | -174.1 | 176.5 | 178.7 | -171.1 | -0.8 | 112.6 | ||
| 182 | N | 94.3 | Very high | 97.3 | Very high | 150 Ų | 150 | 67.8 Ų | 67.8 | 80% | 0.802 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -42.1 | -176.3 | -59 | -39.7 | 0 | 0 | 0 | 110.7 | D180 | D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.98Å; D180-N182 WeakPolarHBondContact OD1-CB 3.33Å; D180-N182 PolarHBondContact OD1-N 3.35Å |
| 183 | N | 95.5 | Very high | 97.3 | Very high | 122 Ų | 122 | 68.9 Ų | 68.9 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -9.3 | -178 | -66.6 | 72.1 | 0 | 0 | 0 | 113.1 | D180 T185 | D180-N183 HydrophobicContact CB-CB 4.5Å; D180-N183 PolarHBondContact OD1-N 2.97Å; D180-N183 PolarHBondContact OD2-OD1 2.83Å; N183-T185 HydrophobicContact CB-CG2 3.82Å; N183-T185 PolarHBondContact O-N 3.1Å |
| 184 | G | 96.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 28.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D180 | D180-G184 WeakPolarHBondContact O-CA 3.39Å; D180-G184 PolarHBondContact O-N 3.04Å |
| 185 | T | 97.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.5 | -171.3 | -166.3 | 0 | 0 | 0 | 0 | 112 | D180 N183 L187 | D180-T185 HydrophobicContact CB-CG2 4.34Å; D180-T185 PolarHBondContact N-O 3.38Å; D180-T185 PolarHBondContact O-N 2.9Å; N183-T185 HydrophobicContact CB-CG2 3.82Å; N183-T185 PolarHBondContact O-N 3.1Å; T185-L187 HydrophobicContact CG2-CD2 4.12Å |
| 186 | W | 98 | Very high | 97.3 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 37% | 0.367 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117 | 172.2 | -70.7 | 94.6 | 0 | 0 | 0 | 109.8 | F179 T254 L256 | F179-W186 HydrophobicContact CB-CD2 4.21Å; F179-W186 HydrophobicContact CB-CE3 3.87Å; F179-W186 HydrophobicContact CB-CH2 4.02Å; F179-W186 HydrophobicContact CB-CZ2 4.32Å; F179-W186 HydrophobicContact CB-CZ3 3.78Å; F179-W186 AromaticContact CD2-CD2 3.86Å; F179-W186 HydrophobicContact CD2-CD2 3.86Å; F179-W186 AromaticContact CD2-CE2 3.7Å; F179-W186 HydrophobicContact CD2-CE3 4.39Å; F179-W186 HydrophobicContact CD2-CG 4.11Å; F179-W186 HydrophobicContact CD2-CZ2 4.15Å; F179-W186 AromaticContact CD2-NE1 3.79Å; W186-T254 HydrophobicContact CH2-CG2 3.97Å; W186-L256 HydrophobicContact CE3-CB 4.02Å; W186-L256 HydrophobicContact CE3-CD2 4.47Å; W186-L256 HydrophobicContact CH2-CB 3.69Å; W186-L256 HydrophobicContact CH2-CD2 4.43Å; W186-L256 HydrophobicContact CZ3-CB 3.39Å; W186-L256 HydrophobicContact CZ3-CD2 4.42Å |
| 187 | L | 97.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.3 | 172.5 | -61.7 | 178.6 | 0 | 0 | 0 | 109.7 | Y177 V178 D180 T185 K189 | Y177-L187 VanDerWaalsContact CA-O 3.31Å; Y177-L187 WeakPolarHBondContact CA-O 3.44Å; V178-L187 PolarHBondContact N-O 2.71Å; V178-L187 WeakPolarHBondContact O-CB 3.21Å; V178-L187 PolarHBondContact O-N 3.1Å; D180-L187 HydrophobicContact CB-CD1 3.76Å; D180-L187 HydrophobicContact CB-CG 3.84Å; T185-L187 HydrophobicContact CG2-CD2 4.12Å; L187-K189 PolarHBondContact O-N 2.85Å |
| 188 | D | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 66.4 Ų | 66.4 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.6 | 171.4 | -167.5 | -11.1 | 0 | 0 | 0 | 109.6 | K175 Y177 G190 | K175-D188 WeakPolarHBondContact CE-OD1 3.35Å; K175-D188 WeakPolarHBondContact CE-OD2 3.44Å; K175-D188 IonicContact NZ-OD1 2.67Å; K175-D188 IonicContact NZ-OD2 3.19Å; K175-D188 PolarHBondContact NZ-OD2 2.75Å; Y177-D188 HydrophobicContact CD1-CB 4.12Å; Y177-D188 HydrophobicContact CE1-CB 3.96Å; D188-G190 WeakPolarHBondContact OD1-CA 3.29Å; D188-G190 PolarHBondContact OD1-N 3.02Å |
| 189 | K | 96.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -12.5 | 174.8 | -64.5 | -63 | -174.4 | 177.8 | 0 | 112.2 | L176 V178 L187 L213 | L176-K189 HydrophobicContact CB-CB 4.22Å; L176-K189 HydrophobicContact CD2-CB 4.01Å; L176-K189 HydrophobicContact CD2-CG 4.22Å; L176-K189 HydrophobicContact CG-CB 4.08Å; L176-K189 HydrophobicContact CG-CG 4.34Å; L176-K189 PolarHBondContact O-N 2.92Å; V178-K189 HydrophobicContact CB-CG 4.29Å; V178-K189 HydrophobicContact CG2-CG 3.8Å; L187-K189 PolarHBondContact O-N 2.85Å; K189-L213 HydrophobicContact CB-CD2 4.37Å; K189-L213 WeakPolarHBondContact O-CD2 3.45Å |
| 190 | G | 97.1 | Very high | 97 | Very high | 23 Ų | 23 | 70.9 Ų | 70.9 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.9 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L176 D188 S192 | L176-G190 PolarHBondContact N-O 3.09Å; D188-G190 WeakPolarHBondContact OD1-CA 3.29Å; D188-G190 PolarHBondContact OD1-N 3.02Å; G190-S192 PolarHBondContact O-OG 2.85Å; G190-S192 VanDerWaalsContact O-OG 3.1Å |
| 191 | Y | 98.1 | Very high | 96.7 | Very high | 157 Ų | 157 | 74.5 Ų | 74.5 | 62% | 0.616 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.6 | 175.4 | -70.6 | -82.2 | 0 | 0 | 0 | 110.5 | K175 Q214 | K175-Y191 HydrophobicContact CB-CD1 4.39Å; Y191-Q214 PolarHBondContact O-N 2.97Å |
| 192 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.6 | -165.9 | -55.3 | 0 | 0 | 0 | 0 | 111 | C174 L176 G190 R212 L213 | C174-S192 PolarHBondContact N-O 3.32Å; C174-S192 CarbonylContact O-C 3.52Å; C174-S192 WeakPolarHBondContact O-CA 3.21Å; C174-S192 PolarHBondContact O-N 2.8Å; L176-S192 WeakPolarHBondContact CB-OG 3.33Å; G190-S192 PolarHBondContact O-OG 2.85Å; G190-S192 VanDerWaalsContact O-OG 3.1Å; S192-R212 CarbonylContact C-O 3.59Å; S192-R212 VanDerWaalsContact CA-O 3.22Å; S192-R212 WeakPolarHBondContact CA-O 3.44Å; S192-R212 WeakPolarHBondContact CB-O 3.47Å; S192-L213 WeakPolarHBondContact OG-CD2 3.15Å |
| 193 | T | 98.2 | Very high | 96.2 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 121 | 165.8 | -54.5 | 0 | 0 | 0 | 0 | 108 | Q171 I172 I211 R212 | Q171-T193 HydrophobicContact CG-CG2 3.58Å; I172-T193 WeakPolarHBondContact O-CA 2.96Å; T193-I211 WeakPolarHBondContact O-CA 3.02Å; T193-R212 PolarHBondContact N-O 3.38Å; T193-R212 PolarHBondContact O-N 2.88Å |
| 194 | L | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.5 | 173.2 | 178.5 | 154.4 | 0 | 0 | 0 | 109 | Q171 I172 I196 I209 I211 F241 I257 V267 | Q171-L194 CarbonylContact C-O 3.49Å; Q171-L194 VanDerWaalsContact CA-O 3.29Å; Q171-L194 WeakPolarHBondContact CA-O 3.34Å; I172-L194 HydrophobicContact CG1-CB 4.02Å; I172-L194 HydrophobicContact CG1-CD2 4.28Å; I172-L194 PolarHBondContact N-O 3.16Å; I172-L194 PolarHBondContact O-N 2.89Å; L194-I196 HydrophobicContact CD2-CG1 4Å; L194-I209 HydrophobicContact CD1-CG2 4.41Å; L194-I209 HydrophobicContact CG-CG2 4.4Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.89Å; L194-I211 HydrophobicContact CD1-CG1 4.15Å; L194-I211 HydrophobicContact CG-CD1 4.34Å; L194-I211 HydrophobicContact CG-CG1 4.04Å; L194-F241 HydrophobicContact CD1-CZ 4.22Å; L194-I257 HydrophobicContact CD1-CD1 3.76Å; L194-I257 HydrophobicContact CD1-CG2 4.14Å; L194-V267 HydrophobicContact CD2-CG1 4.26Å; L194-V267 HydrophobicContact CD2-CG2 4.09Å |
| 195 | R | 98 | Very high | 95.7 | Very high | 80 Ų | 80 | 74.7 Ų | 74.7 | 30% | 0.302 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.2 | 172.1 | -69.9 | 177.7 | 178.4 | -179.2 | -6.5 | 110.1 | E163 I170 Q171 V210 | E163-R195 IonicContact OE2-CZ 3.42Å; E163-R195 IonicContact OE2-NH1 3.58Å; E163-R195 PolarHBondContact OE2-NH1 3.36Å; I170-R195 WeakPolarHBondContact O-CA 3.47Å; Q171-R195 HydrophobicContact CB-CG 4.21Å; Q171-R195 HydrophobicContact CG-CG 3.89Å; Q171-R195 VanDerWaalsContact OE1-CZ 3.23Å; R195-V210 HydrophobicContact CB-CB 4.31Å; R195-V210 PolarHBondContact N-O 2.85Å; R195-V210 PolarHBondContact O-N 3.08Å |
| 196 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.1 | 162.6 | -57 | 177.6 | 0 | 0 | 0 | 106.5 | N168 L169 I170 L194 T207 R208 V267 V270 L271 | N168-I196 PolarHBondContact ND2-O 2.99Å; L169-I196 HydrophobicContact CD1-CG2 4.16Å; L169-I196 PolarHBondContact N-O 3.15Å; I170-I196 HydrophobicContact CG2-CB 3.71Å; I170-I196 HydrophobicContact CG2-CD1 3.63Å; I170-I196 HydrophobicContact CG2-CG1 3.73Å; I170-I196 PolarHBondContact O-N 2.87Å; L194-I196 HydrophobicContact CD2-CG1 4Å; I196-T207 HydrophobicContact CG2-CG2 3.51Å; I196-R208 WeakPolarHBondContact CA-O 3.46Å; I196-V267 HydrophobicContact CD1-CG1 4.14Å; I196-V270 HydrophobicContact CB-CG1 4.44Å; I196-V270 HydrophobicContact CD1-CB 4.31Å; I196-V270 HydrophobicContact CD1-CG1 3.93Å; I196-V270 HydrophobicContact CG2-CG1 4.15Å; I196-L271 HydrophobicContact CD1-CD1 4.27Å; I196-L271 HydrophobicContact CD1-CD2 3.52Å; I196-L271 HydrophobicContact CD1-CG 3.55Å; I196-L271 HydrophobicContact CG1-CD2 4.36Å |
| 197 | N | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.2 | -179.1 | -64.4 | -9.2 | 0 | 0 | 0 | 109.8 | E163 E166 S167 N168 T207 R208 | E163-N197 PolarHBondContact OE2-ND2 2.87Å; E166-N197 HydrophobicContact CB-CB 3.97Å; E166-N197 WeakPolarHBondContact OE2-CB 3.31Å; E166-N197 PolarHBondContact OE2-ND2 2.67Å; E166-N197 VanDerWaalsContact OE2-ND2 3.13Å; S167-N197 CarbonylContact O-C 3.49Å; S167-N197 VanDerWaalsContact O-CA 3.24Å; S167-N197 WeakPolarHBondContact O-CA 3.35Å; N168-N197 PolarHBondContact ND2-OD1 3.43Å; N197-T207 CarbonylContact O-C 3.48Å; N197-T207 VanDerWaalsContact O-CA 3.31Å; N197-T207 WeakPolarHBondContact O-CA 3.38Å; N197-T207 WeakPolarHBondContact O-CG2 3.47Å; N197-R208 HydrophobicContact CB-CG 4.39Å; N197-R208 PolarHBondContact N-O 3.37Å; N197-R208 PolarHBondContact O-N 2.93Å |
| 198 | E | 97.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 68 Ų | 68 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.3 | 175.2 | 177.6 | 173.2 | 92.3 | 0 | 0 | 110.1 | S167 L169 I200 | S167-E198 PolarHBondContact N-O 2.85Å; S167-E198 PolarHBondContact O-N 2.92Å; S167-E198 PolarHBondContact OG-O 2.79Å; L169-E198 HydrophobicContact CD1-CB 3.95Å; L169-E198 HydrophobicContact CD2-CB 4.15Å; L169-E198 HydrophobicContact CG-CB 4.03Å; E198-I200 HydrophobicContact CG-CG1 4.27Å |
| 199 | K | 96 | Very high | 95.5 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133 | 167.7 | -171.8 | 178.4 | 176.4 | -171.3 | 0 | 109 | E166 D201 S206 | E166-K199 HydrophobicContact CG-CB 4.16Å; K199-D201 IonicContact NZ-OD2 3.98Å; K199-S206 PolarHBondContact N-O 2.94Å; K199-S206 PolarHBondContact O-N 3.44Å |
| 200 | I | 94.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.8 | 172.4 | -55.8 | 176.8 | 0 | 0 | 0 | 107.1 | E198 K205 | E198-I200 HydrophobicContact CG-CG1 4.27Å; I200-K205 HydrophobicContact CG1-CG 4.4Å |
| 201 | D | 90.9 | Very high | 95.7 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 90.3 | 178.2 | -159.9 | -4.2 | 0 | 0 | 0 | 108.5 | K199 E203 E204 | K199-D201 IonicContact NZ-OD2 3.98Å; D201-E203 PolarHBondContact O-N 2.82Å; D201-E204 PolarHBondContact N-O 2.87Å; D201-E204 PolarHBondContact O-N 2.93Å; D201-E204 VanDerWaalsContact O-N 3.08Å |
| 202 | G | 89.7 | Confident | 95.6 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -118.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 203 | E | 87 | Confident | 95.6 | Very high | 197 Ų | 197 | 56.3 Ų | 56.3 | 92% | 0.921 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -14.5 | 176.1 | -62.4 | -173.3 | 166.7 | 0 | 0 | 112.6 | D201 | D201-E203 PolarHBondContact O-N 2.82Š|
| 204 | E | 89.5 | Confident | 95.4 | Very high | 154 Ų | 154 | 58.9 Ų | 58.9 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.7 | -178.5 | -66.1 | -172 | -168.5 | 0 | 0 | 111.3 | D201 | D201-E204 PolarHBondContact N-O 2.87Å; D201-E204 PolarHBondContact O-N 2.93Å; D201-E204 VanDerWaalsContact O-N 3.08Å |
| 205 | K | 92.3 | Very high | 95.2 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.5 | 173.2 | -62.1 | -173.4 | -179.4 | -176.1 | 0 | 110.2 | I200 | I200-K205 HydrophobicContact CG1-CG 4.4Å |
| 206 | S | 94.6 | Very high | 95 | Very high | 37 Ų | 37 | 64 Ų | 64 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 108.6 | 177 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | K199 K224 | K199-S206 PolarHBondContact N-O 2.94Å; K199-S206 PolarHBondContact O-N 3.44Å; S206-K224 VanDerWaalsContact OG-CE 3.29Å; S206-K224 WeakPolarHBondContact OG-CE 3.35Å |
| 207 | T | 97.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 141.4 | 177.2 | -41 | 0 | 0 | 0 | 0 | 111.1 | L169 I196 N197 L225 A274 | L169-T207 HydrophobicContact CD1-CG2 4.2Å; I196-T207 HydrophobicContact CG2-CG2 3.51Å; N197-T207 CarbonylContact O-C 3.48Å; N197-T207 VanDerWaalsContact O-CA 3.31Å; N197-T207 WeakPolarHBondContact O-CA 3.38Å; N197-T207 WeakPolarHBondContact O-CG2 3.47Å; T207-L225 HydrophobicContact CG2-CD1 3.75Å; T207-L225 HydrophobicContact CG2-CG 4.36Å; T207-L225 PolarHBondContact O-N 2.73Å; T207-A274 HydrophobicContact CG2-CB 4.15Å |
| 208 | R | 97.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 153.7 | 175.5 | 66.3 | 172.4 | -179.9 | 178.4 | -8.2 | 113.2 | G162 E166 I196 N197 V210 N222 S223 | G162-R208 PolarHBondContact O-NH2 3.27Å; E166-R208 VanDerWaalsContact CD-CZ 3.49Å; E166-R208 VanDerWaalsContact CD-NE 3.26Å; E166-R208 IonicContact OE1-CZ 2.68Å; E166-R208 IonicContact OE1-NE 2.69Å; E166-R208 PolarHBondContact OE1-NE 3.05Å; E166-R208 IonicContact OE1-NH1 3.34Å; E166-R208 IonicContact OE1-NH2 3.27Å; E166-R208 PolarHBondContact OE1-NH2 2.78Å; E166-R208 IonicContact OE2-CZ 3.04Å; E166-R208 IonicContact OE2-NE 2.9Å; E166-R208 PolarHBondContact OE2-NE 2.9Å; E166-R208 IonicContact OE2-NH2 2.92Å; E166-R208 PolarHBondContact OE2-NH2 2.8Å; I196-R208 WeakPolarHBondContact CA-O 3.46Å; N197-R208 HydrophobicContact CB-CG 4.39Å; N197-R208 PolarHBondContact N-O 3.37Å; N197-R208 PolarHBondContact O-N 2.93Å; R208-V210 HydrophobicContact CG-CG2 4.11Å; R208-N222 PolarHBondContact NH1-OD1 2.73Å; R208-S223 CarbonylContact C-O 3.59Å; R208-S223 WeakPolarHBondContact CA-O 3.23Å; R208-S223 WeakPolarHBondContact CB-O 3.31Å |
| 209 | I | 98.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.5 | 170.1 | -56.4 | 173.6 | 0 | 0 | 0 | 108.6 | L194 I211 V221 S223 L225 M229 F241 L271 | L194-I209 HydrophobicContact CD1-CG2 4.41Å; L194-I209 HydrophobicContact CG-CG2 4.4Å; I209-I211 HydrophobicContact CG2-CD1 4.25Å; I209-I211 HydrophobicContact CG2-CG1 4.02Å; I209-V221 HydrophobicContact CG2-CG1 4.29Å; I209-S223 PolarHBondContact N-O 2.92Å; I209-S223 PolarHBondContact O-N 2.82Å; I209-L225 HydrophobicContact CD1-CD2 3.89Å; I209-L225 HydrophobicContact CG1-CD2 3.86Å; I209-M229 HydrophobicContact CD1-CE 3.55Å; I209-F241 HydrophobicContact CD1-CD2 3.95Å; I209-F241 HydrophobicContact CD1-CE2 3.96Å; I209-F241 HydrophobicContact CG2-CE2 4.31Å; I209-L271 HydrophobicContact CD1-CD1 4.36Å; I209-L271 HydrophobicContact CD1-CD2 3.8Å; I209-L271 HydrophobicContact CG1-CD2 3.97Å |
| 210 | V | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.2 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | E163 R195 R208 R212 L219 V221 | E163-V210 WeakPolarHBondContact OE1-CG1 3.36Å; R195-V210 HydrophobicContact CB-CB 4.31Å; R195-V210 PolarHBondContact N-O 2.85Å; R195-V210 PolarHBondContact O-N 3.08Å; R208-V210 HydrophobicContact CG-CG2 4.11Å; V210-R212 HydrophobicContact CG1-CG 4.47Å; V210-L219 HydrophobicContact CG1-CD1 3.57Å; V210-V221 WeakPolarHBondContact CA-O 3.22Å |
| 211 | I | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.2 | 176.2 | -51.9 | 178.3 | 0 | 0 | 0 | 110.3 | L176 T193 L194 I209 I220 V221 F241 I257 | L176-I211 HydrophobicContact CD1-CD1 4.12Å; L176-I211 HydrophobicContact CD2-CG2 4.03Å; T193-I211 WeakPolarHBondContact O-CA 3.02Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.89Å; L194-I211 HydrophobicContact CD1-CG1 4.15Å; L194-I211 HydrophobicContact CG-CD1 4.34Å; L194-I211 HydrophobicContact CG-CG1 4.04Å; I209-I211 HydrophobicContact CG2-CD1 4.25Å; I209-I211 HydrophobicContact CG2-CG1 4.02Å; I211-I220 PolarHBondContact O-N 2.99Å; I211-V221 HydrophobicContact CB-CB 3.92Å; I211-V221 HydrophobicContact CB-CG2 4.3Å; I211-V221 HydrophobicContact CD1-CB 4.06Å; I211-V221 HydrophobicContact CD1-CG1 4.47Å; I211-V221 HydrophobicContact CD1-CG2 3.97Å; I211-V221 HydrophobicContact CG1-CB 3.93Å; I211-V221 HydrophobicContact CG1-CG1 4.45Å; I211-V221 HydrophobicContact CG1-CG2 4.34Å; I211-V221 PolarHBondContact N-O 2.68Å; I211-V221 PolarHBondContact O-N 2.63Å; I211-F241 HydrophobicContact CD1-CE2 4.47Å; I211-F241 HydrophobicContact CD1-CZ 3.97Å; I211-I257 HydrophobicContact CD1-CG2 4.46Å |
| 212 | R | 97.4 | Very high | 94.9 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.6 | 176.5 | -60.8 | -178.4 | -175.6 | -140.9 | 0.6 | 110.6 | T161 E163 S192 T193 V210 R218 L219 | T161-R212 PolarHBondContact O-NH2 2.75Å; E163-R212 IonicContact OE1-CZ 3.99Å; E163-R212 IonicContact OE1-NE 2.96Å; E163-R212 PolarHBondContact OE1-NE 3.01Å; E163-R212 IonicContact OE1-NH2 3.99Å; E163-R212 PolarHBondContact OE1-NH2 3.18Å; S192-R212 CarbonylContact C-O 3.59Å; S192-R212 VanDerWaalsContact CA-O 3.22Å; S192-R212 WeakPolarHBondContact CA-O 3.44Å; S192-R212 WeakPolarHBondContact CB-O 3.47Å; T193-R212 PolarHBondContact N-O 3.38Å; T193-R212 PolarHBondContact O-N 2.88Å; V210-R212 HydrophobicContact CG1-CG 4.47Å; R212-R218 VanDerWaalsContact CA-O 3.31Å; R212-R218 WeakPolarHBondContact CA-O 3.36Å; R212-L219 HydrophobicContact CG-CD1 3.92Å |
| 213 | L | 97.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.1 | 174.7 | -61 | -176.8 | 0 | 0 | 0 | 111.6 | K189 S192 V216 P217 R218 I220 | K189-L213 HydrophobicContact CB-CD2 4.37Å; K189-L213 WeakPolarHBondContact O-CD2 3.45Å; S192-L213 WeakPolarHBondContact OG-CD2 3.15Å; L213-V216 WeakPolarHBondContact CB-O 3.36Å; L213-P217 WeakPolarHBondContact O-CA 3.45Å; L213-R218 PolarHBondContact N-O 2.81Å; L213-I220 HydrophobicContact CD1-CD1 4.04Å; L213-I220 HydrophobicContact CD1-CG1 4.29Å; L213-I220 HydrophobicContact CD2-CD1 4.49Å; L213-I220 HydrophobicContact CD2-CG1 3.88Å; L213-I220 HydrophobicContact CG-CD1 4.03Å; L213-I220 HydrophobicContact CG-CG1 3.73Å |
| 214 | Q | 95.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -82.7 | 144.4 | 173.2 | -68.7 | -174.4 | -23.2 | 0 | 0 | 110.7 | S173 Y191 V216 | S173-Q214 PolarHBondContact OG-NE2 3.09Å; Y191-Q214 PolarHBondContact O-N 2.97Å; Q214-V216 PolarHBondContact O-N 3.44Å; Q214-V216 VanDerWaalsContact O-N 3.09Å |
| 215 | G | 93.1 | Very high | 96.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 87% | 0.866 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 83.1 | -47.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 216 | V | 92.9 | Very high | 96.3 | Very high | 105 Ų | 105 | 48.8 Ų | 48.8 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -121.8 | 104.3 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | L213 Q214 R218 | L213-V216 WeakPolarHBondContact CB-O 3.36Å; Q214-V216 PolarHBondContact O-N 3.44Å; Q214-V216 VanDerWaalsContact O-N 3.09Å; V216-R218 PolarHBondContact O-N 2.8Å |
| 217 | P | 91.9 | Very high | 96.3 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 60% | 0.597 | 26% | 0.262 | S | S | * | . | trans | -75 | 46.6 | -168.9 | 32.4 | -37.5 | 0 | 0 | 0 | 113.8 | L213 | L213-P217 WeakPolarHBondContact O-CA 3.45Š| ||
| 218 | R | 94.7 | Very high | 96.2 | Very high | 129 Ų | 129 | 55.1 Ų | 55.1 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | trans | -65.4 | 129.4 | 173.1 | -174.1 | 176.8 | -176.9 | 172.7 | 0.7 | 109.3 | R212 L213 V216 I220 E247 | R212-R218 VanDerWaalsContact CA-O 3.31Å; R212-R218 WeakPolarHBondContact CA-O 3.36Å; L213-R218 PolarHBondContact N-O 2.81Å; V216-R218 PolarHBondContact O-N 2.8Å; R218-I220 HydrophobicContact CG-CD1 4.06Å; R218-E247 IonicContact CZ-OE1 3.28Å; R218-E247 VanDerWaalsContact CZ-OE1 3.28Å; R218-E247 IonicContact CZ-OE2 3.67Å; R218-E247 IonicContact NE-OE1 2.75Å; R218-E247 PolarHBondContact NE-OE1 3.27Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 VanDerWaalsContact NH2-CD 3.25Å; R218-E247 IonicContact NH2-OE1 3.01Å; R218-E247 PolarHBondContact NH2-OE1 3.36Å; R218-E247 IonicContact NH2-OE2 2.68Å; R218-E247 PolarHBondContact NH2-OE2 2.87Å | ||
| 219 | L | 96.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.7 | 176.8 | -175.3 | 65 | 0 | 0 | 0 | 109.4 | V210 R212 V221 N222 A246 | V210-L219 HydrophobicContact CG1-CD1 3.57Å; R212-L219 HydrophobicContact CG-CD1 3.92Å; L219-V221 WeakPolarHBondContact CD1-O 3.35Å; L219-N222 HydrophobicContact CD2-CB 4.06Å; L219-N222 HydrophobicContact CG-CB 4.44Å; L219-A246 HydrophobicContact CB-CB 4.27Å; L219-A246 HydrophobicContact CD2-CB 3.9Å; L219-A246 HydrophobicContact CG-CB 3.58Å |
| 220 | I | 96.8 | Very high | 96 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -40.9 | -178.1 | -54.9 | -59.9 | 0 | 0 | 0 | 111.1 | L176 I211 L213 R218 N245 A246 | L176-I220 HydrophobicContact CD2-CB 4.13Å; L176-I220 HydrophobicContact CD2-CG2 3.68Å; I211-I220 PolarHBondContact O-N 2.99Å; L213-I220 HydrophobicContact CD1-CD1 4.04Å; L213-I220 HydrophobicContact CD1-CG1 4.29Å; L213-I220 HydrophobicContact CD2-CD1 4.49Å; L213-I220 HydrophobicContact CD2-CG1 3.88Å; L213-I220 HydrophobicContact CG-CD1 4.03Å; L213-I220 HydrophobicContact CG-CG1 3.73Å; R218-I220 HydrophobicContact CG-CD1 4.06Å; I220-N245 PolarHBondContact O-OD1 3.33Å; I220-A246 PolarHBondContact O-N 3.02Å; I220-A246 VanDerWaalsContact O-N 3.08Å |
| 221 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | I209 V210 I211 L219 A243 L253 | I209-V221 HydrophobicContact CG2-CG1 4.29Å; V210-V221 WeakPolarHBondContact CA-O 3.22Å; I211-V221 HydrophobicContact CB-CB 3.92Å; I211-V221 HydrophobicContact CB-CG2 4.3Å; I211-V221 HydrophobicContact CD1-CB 4.06Å; I211-V221 HydrophobicContact CD1-CG1 4.47Å; I211-V221 HydrophobicContact CD1-CG2 3.97Å; I211-V221 HydrophobicContact CG1-CB 3.93Å; I211-V221 HydrophobicContact CG1-CG1 4.45Å; I211-V221 HydrophobicContact CG1-CG2 4.34Å; I211-V221 PolarHBondContact N-O 2.68Å; I211-V221 PolarHBondContact O-N 2.63Å; L219-V221 WeakPolarHBondContact CD1-O 3.35Å; V221-A243 HydrophobicContact CG1-CB 3.53Å; V221-L253 HydrophobicContact CG2-CD1 4.41Å |
| 222 | N | 97.2 | Very high | 96 | Very high | 61 Ų | 61 | 65 Ų | 65 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 87.2 | 170.6 | -178.6 | 15 | 0 | 0 | 0 | 107.4 | R208 L219 T244 A246 | R208-N222 PolarHBondContact NH1-OD1 2.73Å; L219-N222 HydrophobicContact CD2-CB 4.06Å; L219-N222 HydrophobicContact CG-CB 4.44Å; N222-T244 PolarHBondContact N-O 3.25Å; N222-A246 HydrophobicContact CB-CB 3.96Å |
| 223 | S | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.3 | -165.6 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | R208 I209 W226 A243 T244 | R208-S223 CarbonylContact C-O 3.59Å; R208-S223 WeakPolarHBondContact CA-O 3.23Å; R208-S223 WeakPolarHBondContact CB-O 3.31Å; I209-S223 PolarHBondContact N-O 2.92Å; I209-S223 PolarHBondContact O-N 2.82Å; S223-W226 WeakPolarHBondContact OG-CZ3 3.42Å; S223-A243 WeakPolarHBondContact OG-CA 3.47Å; S223-T244 VanDerWaalsContact CB-N 3.33Å; S223-T244 PolarHBondContact OG-N 3.37Å |
| 224 | K | 97.2 | Very high | 96 | Very high | 127 Ų | 127 | 67.2 Ų | 67.2 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 145.7 | 165.3 | -170.7 | 174.3 | 174.9 | 171.1 | 0 | 109.1 | S206 W226 | S206-K224 VanDerWaalsContact OG-CE 3.29Å; S206-K224 WeakPolarHBondContact OG-CE 3.35Å; K224-W226 WeakPolarHBondContact O-CZ3 3.13Å |
| 225 | L | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | trans | -73.6 | 147.1 | 171.1 | -58 | -173.5 | 0 | 0 | 0 | 110.3 | T207 I209 M229 L271 A274 L275 L278 | T207-L225 HydrophobicContact CG2-CD1 3.75Å; T207-L225 HydrophobicContact CG2-CG 4.36Å; T207-L225 PolarHBondContact O-N 2.73Å; I209-L225 HydrophobicContact CD1-CD2 3.89Å; I209-L225 HydrophobicContact CG1-CD2 3.86Å; L225-M229 HydrophobicContact CD2-CE 4.01Å; L225-M229 HydrophobicContact CD2-SD 3.53Å; L225-M229 VanDerWaalsContact CD2-SD 3.53Å; L225-L271 HydrophobicContact CD1-CD2 4.16Å; L225-L271 HydrophobicContact CD2-CD2 3.89Å; L225-A274 HydrophobicContact CD1-CB 3.61Å; L225-L275 HydrophobicContact CB-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CD2 4.45Å; L225-L278 HydrophobicContact CB-CD2 4.23Å | ||
| 226 | W | 95.3 | Very high | 96.3 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 26% | 0.261 | 36% | 0.355 | S | S | . | . | trans | -130.8 | 152.7 | 172.9 | 61.6 | 92 | 0 | 0 | 0 | 110.5 | S223 K224 E228 M229 P242 I252 L275 L278 | S223-W226 WeakPolarHBondContact OG-CZ3 3.42Å; K224-W226 WeakPolarHBondContact O-CZ3 3.13Å; W226-E228 VanDerWaalsContact C-N 3.26Å; W226-E228 PolarHBondContact O-N 3.08Å; W226-E228 VanDerWaalsContact O-N 3.15Å; W226-M229 HydrophobicContact CD2-CB 4.01Å; W226-M229 HydrophobicContact CE3-SD 4.41Å; W226-M229 HydrophobicContact CG-CB 4.17Å; W226-M229 HydrophobicContact CH2-SD 4.31Å; W226-M229 HydrophobicContact CZ2-CB 4.22Å; W226-M229 HydrophobicContact CZ2-CG 4.23Å; W226-M229 HydrophobicContact CZ2-SD 4.48Å; W226-M229 HydrophobicContact CZ3-SD 4.29Å; W226-M229 WeakPolarHBondContact O-CB 3.41Å; W226-M229 PolarHBondContact O-N 2.97Å; W226-P242 HydrophobicContact CH2-CB 4.14Å; W226-P242 HydrophobicContact CH2-CG 4.16Å; W226-P242 HydrophobicContact CZ2-CB 3.93Å; W226-P242 HydrophobicContact CZ2-CG 3.67Å; W226-I252 HydrophobicContact CH2-CD1 4.4Å; W226-L275 WeakPolarHBondContact O-CD2 3.05Å; W226-L278 VanDerWaalsContact C-CD2 3.5Å | ||
| 227 | P | 94.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 68 Ų | 68 | 29% | 0.292 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.2 | -169.8 | -21.5 | 28.9 | 0 | 0 | 0 | 114.7 | M229 L278 K279 | P227-M229 VanDerWaalsContact C-N 3.31Å; P227-M229 PolarHBondContact O-N 2.87Å; P227-L278 HydrophobicContact CG-CD2 4.2Å; P227-L278 HydrophobicContact CG-CG 4.06Å; P227-K279 HydrophobicContact CB-CG 4.11Å; P227-K279 WeakPolarHBondContact O-CE 3.35Å |
| 228 | E | 94.2 | Very high | 96.8 | Very high | 140 Ų | 140 | 67.8 Ų | 67.8 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 5 | -177.9 | -57.7 | 70.8 | -154.2 | 0 | 0 | 113.3 | W226 I230 | W226-E228 VanDerWaalsContact C-N 3.26Å; W226-E228 PolarHBondContact O-N 3.08Å; W226-E228 VanDerWaalsContact O-N 3.15Å; E228-I230 PolarHBondContact O-N 2.79Å |
| 229 | M | 96.6 | Very high | 97 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | trans | -65.5 | 124.3 | 179.8 | 179.3 | 167.2 | 171.1 | 0 | 0 | 111 | I209 L225 W226 P227 V231 F241 P242 L275 | I209-M229 HydrophobicContact CD1-CE 3.55Å; L225-M229 HydrophobicContact CD2-CE 4.01Å; L225-M229 HydrophobicContact CD2-SD 3.53Å; L225-M229 VanDerWaalsContact CD2-SD 3.53Å; W226-M229 HydrophobicContact CD2-CB 4.01Å; W226-M229 HydrophobicContact CE3-SD 4.41Å; W226-M229 HydrophobicContact CG-CB 4.17Å; W226-M229 HydrophobicContact CH2-SD 4.31Å; W226-M229 HydrophobicContact CZ2-CB 4.22Å; W226-M229 HydrophobicContact CZ2-CG 4.23Å; W226-M229 HydrophobicContact CZ2-SD 4.48Å; W226-M229 HydrophobicContact CZ3-SD 4.29Å; W226-M229 WeakPolarHBondContact O-CB 3.41Å; W226-M229 PolarHBondContact O-N 2.97Å; P227-M229 VanDerWaalsContact C-N 3.31Å; P227-M229 PolarHBondContact O-N 2.87Å; M229-V231 HydrophobicContact CE-CG2 4.03Å; M229-V231 HydrophobicContact CG-CG2 4.41Å; M229-F241 HydrophobicContact CE-CB 3.89Å; M229-F241 HydrophobicContact CE-CD2 4.04Å; M229-F241 HydrophobicContact CE-CG 4.31Å; M229-P242 WeakPolarHBondContact CE-O 3.5Å; M229-P242 HydrophobicContact CG-CG 4.02Å; M229-L275 HydrophobicContact CB-CD1 4.49Å; M229-L275 HydrophobicContact CB-CD2 3.79Å; M229-L275 HydrophobicContact CG-CD2 4.4Å | ||
| 230 | I | 96.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 60.6 Ų | 60.6 | 55% | 0.554 | 31% | 0.31 | S | S | * | . | trans | -103.3 | 113.1 | -179.3 | -53.3 | 178.1 | 0 | 0 | 0 | 109.8 | E228 R232 P242 | E228-I230 PolarHBondContact O-N 2.79Å; I230-R232 HydrophobicContact CG2-CG 3.83Å; I230-P242 WeakPolarHBondContact O-CD 2.87Å | ||
| 231 | V | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | trans | -100.9 | 124.8 | 173.6 | -175 | 0 | 0 | 0 | 0 | 108.8 | M229 L239 F241 F268 L271 L275 | M229-V231 HydrophobicContact CE-CG2 4.03Å; M229-V231 HydrophobicContact CG-CG2 4.41Å; V231-L239 HydrophobicContact CG1-CD1 3.61Å; V231-L239 HydrophobicContact CG1-CD2 3.94Å; V231-L239 HydrophobicContact CG1-CG 3.81Å; V231-F241 HydrophobicContact CG1-CB 4.36Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; V231-F268 HydrophobicContact CB-CD2 4.43Å; V231-F268 HydrophobicContact CB-CE2 4.38Å; V231-F268 HydrophobicContact CG1-CD2 3.74Å; V231-F268 HydrophobicContact CG1-CE2 4.1Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; V231-L271 HydrophobicContact CG2-CB 4.25Å; V231-L271 HydrophobicContact CG2-CD1 4.07Å; V231-L275 HydrophobicContact CG2-CD1 3.86Å | ||
| 232 | R | 97.7 | Very high | 97.2 | Very high | 129 Ų | 129 | 61.2 Ų | 61.2 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 115.3 | -175.4 | -64.2 | -163.6 | -67.9 | -122.1 | -0.7 | 112.2 | I230 Q240 | I230-R232 HydrophobicContact CG2-CG 3.83Å; R232-Q240 HydrophobicContact CB-CB 4.46Å; R232-Q240 PolarHBondContact N-O 3.18Å; R232-Q240 PolarHBondContact O-N 3.37Å |
| 233 | P | 97.6 | Very high | 97.3 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136 | 170.8 | 29.8 | -31.2 | 0 | 0 | 0 | 109.7 | L239 F268 | P233-L239 HydrophobicContact CB-CD1 4.19Å; P233-F268 HydrophobicContact CG-CE1 4.27Å; P233-F268 HydrophobicContact CG-CE2 4.1Å; P233-F268 HydrophobicContact CG-CZ 3.94Å |
| 234 | I | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 91.2 | 179.3 | -57.3 | 177.8 | 0 | 0 | 0 | 108.3 | K238 Q240 L256 | I234-K238 HydrophobicContact CB-CB 4.04Å; I234-K238 HydrophobicContact CG2-CD 4.43Å; I234-K238 PolarHBondContact N-O 3Å; I234-K238 WeakPolarHBondContact O-CB 3.45Å; I234-Q240 HydrophobicContact CD1-CB 3.76Å; I234-Q240 HydrophobicContact CG1-CB 4.44Å; I234-L256 HydrophobicContact CD1-CD1 4.05Å |
| 235 | G | 96.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -160.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 236 | S | 97.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16.1 | -172.6 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | P261 | S236-P261 VanDerWaalsContact O-CA 3.24Å; S236-P261 WeakPolarHBondContact O-CA 3.5Å |
| 237 | R | 98 | Very high | 97 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 53% | 0.525 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -2.7 | -170.1 | -68.3 | -165.1 | -61.7 | 154.5 | -1.7 | 115 | L258 G259 P261 | R237-L258 HydrophobicContact CB-CD1 4Å; R237-L258 WeakPolarHBondContact O-CA 3.34Å; R237-G259 PolarHBondContact O-N 3.22Å; R237-P261 HydrophobicContact CG-CG 3.83Å |
| 238 | K | 98.5 | Very high | 96.8 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.7 | -173.5 | -56.5 | 171.2 | -179.4 | 179.7 | 0 | 111.2 | I234 L256 I257 L258 | I234-K238 HydrophobicContact CB-CB 4.04Å; I234-K238 HydrophobicContact CG2-CD 4.43Å; I234-K238 PolarHBondContact N-O 3Å; I234-K238 WeakPolarHBondContact O-CB 3.45Å; K238-L256 HydrophobicContact CB-CD1 3.98Å; K238-I257 VanDerWaalsContact CA-O 3.23Å; K238-I257 WeakPolarHBondContact CA-O 3.39Å; K238-L258 HydrophobicContact CD-CD1 4.35Å; K238-L258 HydrophobicContact CG-CD1 3.53Å |
| 239 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.1 | 175.2 | -169.5 | 67 | 0 | 0 | 0 | 109.2 | V231 P233 F241 L256 I257 I264 V267 F268 L271 | V231-L239 HydrophobicContact CG1-CD1 3.61Å; V231-L239 HydrophobicContact CG1-CD2 3.94Å; V231-L239 HydrophobicContact CG1-CG 3.81Å; P233-L239 HydrophobicContact CB-CD1 4.19Å; L239-F241 HydrophobicContact CD2-CD1 4.49Å; L239-F241 HydrophobicContact CG-CD1 4.34Å; L239-L256 WeakPolarHBondContact O-CA 3.13Å; L239-I257 HydrophobicContact CB-CD1 3.96Å; L239-I257 HydrophobicContact CB-CG1 3.67Å; L239-I257 HydrophobicContact CD2-CD1 4.14Å; L239-I257 PolarHBondContact N-O 3.33Å; L239-I257 VanDerWaalsContact N-O 3.1Å; L239-I257 PolarHBondContact O-N 2.97Å; L239-I264 HydrophobicContact CB-CD1 4.46Å; L239-I264 HydrophobicContact CB-CG2 4.11Å; L239-V267 HydrophobicContact CD2-CB 4.36Å; L239-V267 HydrophobicContact CD2-CG1 3.63Å; L239-F268 HydrophobicContact CD1-CB 4.08Å; L239-F268 HydrophobicContact CD1-CD2 3.71Å; L239-F268 HydrophobicContact CD1-CG 4.23Å; L239-F268 HydrophobicContact CD2-CB 4.39Å; L239-L271 HydrophobicContact CD2-CD1 4.17Å |
| 240 | Q | 98.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136 | 176.4 | -173.3 | -172.6 | 20.6 | 0 | 0 | 109.9 | R232 I234 T254 C255 L256 | R232-Q240 HydrophobicContact CB-CB 4.46Å; R232-Q240 PolarHBondContact N-O 3.18Å; R232-Q240 PolarHBondContact O-N 3.37Å; I234-Q240 HydrophobicContact CD1-CB 3.76Å; I234-Q240 HydrophobicContact CG1-CB 4.44Å; Q240-T254 HydrophobicContact CG-CG2 4.35Å; Q240-T254 VanDerWaalsContact NE2-CG2 3.33Å; Q240-C255 VanDerWaalsContact CA-O 3.31Å; Q240-C255 WeakPolarHBondContact CA-O 3.47Å; Q240-C255 WeakPolarHBondContact CG-O 3.49Å; Q240-L256 HydrophobicContact CB-CD1 4.08Å |
| 241 | F | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.9 | 176.1 | 56.3 | -89 | 0 | 0 | 0 | 111 | L194 I209 I211 M229 V231 L239 A243 C255 I257 | L194-F241 HydrophobicContact CD1-CZ 4.22Å; I209-F241 HydrophobicContact CD1-CD2 3.95Å; I209-F241 HydrophobicContact CD1-CE2 3.96Å; I209-F241 HydrophobicContact CG2-CE2 4.31Å; I211-F241 HydrophobicContact CD1-CE2 4.47Å; I211-F241 HydrophobicContact CD1-CZ 3.97Å; M229-F241 HydrophobicContact CE-CB 3.89Å; M229-F241 HydrophobicContact CE-CD2 4.04Å; M229-F241 HydrophobicContact CE-CG 4.31Å; V231-F241 HydrophobicContact CG1-CB 4.36Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; L239-F241 HydrophobicContact CD2-CD1 4.49Å; L239-F241 HydrophobicContact CG-CD1 4.34Å; F241-A243 HydrophobicContact CD2-CB 4.09Å; F241-A243 HydrophobicContact CE2-CB 4.01Å; F241-C255 HydrophobicContact CD2-CB 4.1Å; F241-C255 HydrophobicContact CE1-CB 4.4Å; F241-C255 HydrophobicContact CE2-CB 3.74Å; F241-C255 HydrophobicContact CZ-CB 3.9Å; F241-C255 PolarHBondContact N-O 3.15Å; F241-C255 WeakPolarHBondContact O-CA 2.98Å; F241-C255 WeakPolarHBondContact O-CB 3.41Å; F241-C255 PolarHBondContact O-N 3.15Å; F241-I257 HydrophobicContact CE1-CD1 4.13Å; F241-I257 HydrophobicContact CE1-CG1 4.09Å; F241-I257 HydrophobicContact CE1-CG2 3.86Å; F241-I257 HydrophobicContact CZ-CG2 4.04Å |
| 242 | P | 98.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 67 Ų | 67 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 148.1 | 168.5 | 33.5 | -34.1 | 0 | 0 | 0 | 110.7 | W226 M229 I230 I252 L253 | W226-P242 HydrophobicContact CH2-CB 4.14Å; W226-P242 HydrophobicContact CH2-CG 4.16Å; W226-P242 HydrophobicContact CZ2-CB 3.93Å; W226-P242 HydrophobicContact CZ2-CG 3.67Å; M229-P242 WeakPolarHBondContact CE-O 3.5Å; M229-P242 HydrophobicContact CG-CG 4.02Å; I230-P242 WeakPolarHBondContact O-CD 2.87Å; P242-I252 HydrophobicContact CB-CG2 4.08Å; P242-L253 CarbonylContact C-O 3.54Å; P242-L253 VanDerWaalsContact CA-O 3.26Å; P242-L253 WeakPolarHBondContact CA-O 3.26Å |
| 243 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V221 S223 F241 L253 | V221-A243 HydrophobicContact CG1-CB 3.53Å; S223-A243 WeakPolarHBondContact OG-CA 3.47Å; F241-A243 HydrophobicContact CD2-CB 4.09Å; F241-A243 HydrophobicContact CE2-CB 4.01Å; A243-L253 PolarHBondContact N-O 3.01Å; A243-L253 WeakPolarHBondContact O-CA 3.41Å; A243-L253 WeakPolarHBondContact O-CB 3.47Å; A243-L253 PolarHBondContact O-N 3.14Å |
| 244 | T | 97.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133 | 174.2 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | N222 S223 F250 | N222-T244 PolarHBondContact N-O 3.25Å; S223-T244 VanDerWaalsContact CB-N 3.33Å; S223-T244 PolarHBondContact OG-N 3.37Å; T244-F250 HydrophobicContact CG2-CB 4.46Å |
| 245 | N | 97.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -62 | 136.1 | 171.7 | -171.5 | 1.3 | 0 | 0 | 0 | 110.4 | I220 E247 F250 E251 L253 | I220-N245 PolarHBondContact O-OD1 3.33Å; N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 VanDerWaalsContact CG-O 3.26Å; N245-E247 PolarHBondContact ND2-O 2.92Å; N245-E247 PolarHBondContact OD1-N 3.48Å; N245-E247 VanDerWaalsContact OD1-N 3.16Å; N245-F250 WeakPolarHBondContact O-CD1 3.31Å; N245-E251 HydrophobicContact CB-CG 4.17Å; N245-E251 WeakPolarHBondContact CB-O 3.25Å; N245-E251 PolarHBondContact N-O 3.15Å; N245-L253 HydrophobicContact CB-CD1 3.86Å; N245-L253 HydrophobicContact CB-CD2 4.09Å; N245-L253 HydrophobicContact CB-CG 3.88Å |
| 246 | A | 96 | Very high | 96.5 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -73.6 | -24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L219 I220 N222 F250 | L219-A246 HydrophobicContact CB-CB 4.27Å; L219-A246 HydrophobicContact CD2-CB 3.9Å; L219-A246 HydrophobicContact CG-CB 3.58Å; I220-A246 PolarHBondContact O-N 3.02Å; I220-A246 VanDerWaalsContact O-N 3.08Å; N222-A246 HydrophobicContact CB-CB 3.96Å; A246-F250 WeakPolarHBondContact O-CE1 3.39Å |
| 247 | E | 91.2 | Very high | 96.6 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 35% | 0.35 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -105.2 | 147.8 | 179.2 | -68.5 | 179.2 | -171.4 | 0 | 0 | 111 | R218 N245 F250 | R218-E247 IonicContact CZ-OE1 3.28Å; R218-E247 VanDerWaalsContact CZ-OE1 3.28Å; R218-E247 IonicContact CZ-OE2 3.67Å; R218-E247 IonicContact NE-OE1 2.75Å; R218-E247 PolarHBondContact NE-OE1 3.27Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 VanDerWaalsContact NH2-CD 3.25Å; R218-E247 IonicContact NH2-OE1 3.01Å; R218-E247 PolarHBondContact NH2-OE1 3.36Å; R218-E247 IonicContact NH2-OE2 2.68Å; R218-E247 PolarHBondContact NH2-OE2 2.87Å; N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 VanDerWaalsContact CG-O 3.26Å; N245-E247 PolarHBondContact ND2-O 2.92Å; N245-E247 PolarHBondContact OD1-N 3.48Å; N245-E247 VanDerWaalsContact OD1-N 3.16Å; E247-F250 PolarHBondContact O-N 3.43Å |
| 248 | P | 91.1 | Very high | 96.6 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 133.6 | 168.9 | -24.5 | 32.7 | 0 | 0 | 0 | 110.5 | F250 | P248-F250 VanDerWaalsContact CA-N 3.34Å; P248-F250 HydrophobicContact CB-CE2 4.29Å; P248-F250 HydrophobicContact CG-CD2 4.46Å; P248-F250 HydrophobicContact CG-CE1 4.27Å; P248-F250 HydrophobicContact CG-CE2 3.79Å; P248-F250 HydrophobicContact CG-CZ 3.68Å |
| 249 | P | 92.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 67% | 0.669 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -87.7 | 22.2 | 19.8 | 33.9 | -36.6 | 0 | 0 | 0 | 117.9 | E251 | P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.09Å |
| 250 | F | 92.7 | Very high | 96.6 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | trans | 52.3 | 32.5 | 177 | -54.5 | -62.4 | 0 | 0 | 0 | 114.3 | T244 N245 A246 E247 P248 | T244-F250 HydrophobicContact CG2-CB 4.46Å; N245-F250 WeakPolarHBondContact O-CD1 3.31Å; A246-F250 WeakPolarHBondContact O-CE1 3.39Å; E247-F250 PolarHBondContact O-N 3.43Å; P248-F250 VanDerWaalsContact CA-N 3.34Å; P248-F250 HydrophobicContact CB-CE2 4.29Å; P248-F250 HydrophobicContact CG-CD2 4.46Å; P248-F250 HydrophobicContact CG-CE1 4.27Å; P248-F250 HydrophobicContact CG-CE2 3.79Å; P248-F250 HydrophobicContact CG-CZ 3.68Å | ||
| 251 | E | 94.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | trans | -71.3 | 162.4 | -178.7 | 63.2 | -179.9 | -177.6 | 0 | 0 | 112.8 | N245 P249 L253 | N245-E251 HydrophobicContact CB-CG 4.17Å; N245-E251 WeakPolarHBondContact CB-O 3.25Å; N245-E251 PolarHBondContact N-O 3.15Å; P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.09Å; E251-L253 HydrophobicContact CG-CD2 3.83Å; E251-L253 PolarHBondContact O-N 3.31Å | ||
| 252 | I | 96.5 | Very high | 96.5 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 110.6 | 171.4 | -57.6 | -59 | 0 | 0 | 0 | 109.3 | W226 P242 | W226-I252 HydrophobicContact CH2-CD1 4.4Å; P242-I252 HydrophobicContact CB-CG2 4.08Å |
| 253 | L | 97.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.7 | 173.8 | -54.8 | -179.1 | 0 | 0 | 0 | 110.5 | V178 V221 P242 A243 N245 E251 | V178-L253 HydrophobicContact CG1-CB 4.19Å; V178-L253 HydrophobicContact CG1-CD1 4.38Å; V178-L253 HydrophobicContact CG1-CD2 3.95Å; V178-L253 HydrophobicContact CG1-CG 4.4Å; V178-L253 HydrophobicContact CG2-CD1 4.33Å; V221-L253 HydrophobicContact CG2-CD1 4.41Å; P242-L253 CarbonylContact C-O 3.54Å; P242-L253 VanDerWaalsContact CA-O 3.26Å; P242-L253 WeakPolarHBondContact CA-O 3.26Å; A243-L253 PolarHBondContact N-O 3.01Å; A243-L253 WeakPolarHBondContact O-CA 3.41Å; A243-L253 WeakPolarHBondContact O-CB 3.47Å; A243-L253 PolarHBondContact O-N 3.14Å; N245-L253 HydrophobicContact CB-CD1 3.86Å; N245-L253 HydrophobicContact CB-CD2 4.09Å; N245-L253 HydrophobicContact CB-CG 3.88Å; E251-L253 HydrophobicContact CG-CD2 3.83Å; E251-L253 PolarHBondContact O-N 3.31Å |
| 254 | T | 97.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.7 | 161.3 | -62.9 | 0 | 0 | 0 | 0 | 108.4 | F179 W186 Q240 | F179-T254 HydrophobicContact CB-CG2 4.22Å; F179-T254 PolarHBondContact N-O 3.05Å; W186-T254 HydrophobicContact CH2-CG2 3.97Å; Q240-T254 HydrophobicContact CG-CG2 4.35Å; Q240-T254 VanDerWaalsContact NE2-CG2 3.33Å |
| 255 | C | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.9 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | L176 Y177 Q240 F241 | L176-C255 HydrophobicContact CD1-CB 4.16Å; Y177-C255 WeakPolarHBondContact O-CA 3.4Å; Q240-C255 VanDerWaalsContact CA-O 3.31Å; Q240-C255 WeakPolarHBondContact CA-O 3.47Å; Q240-C255 WeakPolarHBondContact CG-O 3.49Å; F241-C255 HydrophobicContact CD2-CB 4.1Å; F241-C255 HydrophobicContact CE1-CB 4.4Å; F241-C255 HydrophobicContact CE2-CB 3.74Å; F241-C255 HydrophobicContact CZ-CB 3.9Å; F241-C255 PolarHBondContact N-O 3.15Å; F241-C255 WeakPolarHBondContact O-CA 2.98Å; F241-C255 WeakPolarHBondContact O-CB 3.41Å; F241-C255 PolarHBondContact O-N 3.15Å |
| 256 | L | 98.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121.4 | 169.2 | 177.2 | 73.5 | 0 | 0 | 0 | 108.3 | Y177 W186 I234 K238 L239 Q240 | Y177-L256 PolarHBondContact N-O 2.84Å; Y177-L256 PolarHBondContact O-N 3.05Å; W186-L256 HydrophobicContact CE3-CB 4.02Å; W186-L256 HydrophobicContact CE3-CD2 4.47Å; W186-L256 HydrophobicContact CH2-CB 3.69Å; W186-L256 HydrophobicContact CH2-CD2 4.43Å; W186-L256 HydrophobicContact CZ3-CB 3.39Å; W186-L256 HydrophobicContact CZ3-CD2 4.42Å; I234-L256 HydrophobicContact CD1-CD1 4.05Å; K238-L256 HydrophobicContact CB-CD1 3.98Å; L239-L256 WeakPolarHBondContact O-CA 3.13Å; Q240-L256 HydrophobicContact CB-CD1 4.08Å |
| 257 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 145.3 | 173.2 | 62.5 | 173.2 | 0 | 0 | 0 | 110.2 | I172 C174 K175 L176 L194 I211 K238 L239 F241 I264 V267 | I172-I257 HydrophobicContact CD1-CD1 4.38Å; C174-I257 HydrophobicContact CB-CB 4.25Å; K175-I257 CarbonylContact O-C 3.54Å; K175-I257 WeakPolarHBondContact O-CA 3.2Å; L176-I257 HydrophobicContact CD1-CG2 4.05Å; L194-I257 HydrophobicContact CD1-CD1 3.76Å; L194-I257 HydrophobicContact CD1-CG2 4.14Å; I211-I257 HydrophobicContact CD1-CG2 4.46Å; K238-I257 VanDerWaalsContact CA-O 3.23Å; K238-I257 WeakPolarHBondContact CA-O 3.39Å; L239-I257 HydrophobicContact CB-CD1 3.96Å; L239-I257 HydrophobicContact CB-CG1 3.67Å; L239-I257 HydrophobicContact CD2-CD1 4.14Å; L239-I257 PolarHBondContact N-O 3.33Å; L239-I257 VanDerWaalsContact N-O 3.1Å; L239-I257 PolarHBondContact O-N 2.97Å; F241-I257 HydrophobicContact CE1-CD1 4.13Å; F241-I257 HydrophobicContact CE1-CG1 4.09Å; F241-I257 HydrophobicContact CE1-CG2 3.86Å; F241-I257 HydrophobicContact CZ-CG2 4.04Å; I257-I264 HydrophobicContact CD1-CD1 3.72Å; I257-I264 HydrophobicContact CG1-CD1 3.83Å; I257-V267 HydrophobicContact CD1-CG1 4.37Å |
| 258 | L | 98.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.8 | 171.8 | -179.4 | 77.9 | 0 | 0 | 0 | 109 | C174 K175 Y177 R237 K238 | C174-L258 CarbonylContact C-O 3.58Å; C174-L258 VanDerWaalsContact CA-O 3.29Å; C174-L258 WeakPolarHBondContact CA-O 3.38Å; C174-L258 WeakPolarHBondContact CB-O 3.32Å; K175-L258 HydrophobicContact CB-CB 4.39Å; K175-L258 PolarHBondContact N-O 3.03Å; K175-L258 PolarHBondContact O-N 2.87Å; Y177-L258 HydrophobicContact CE2-CB 4.32Å; R237-L258 HydrophobicContact CB-CD1 4Å; R237-L258 WeakPolarHBondContact O-CA 3.34Å; K238-L258 HydrophobicContact CD-CD1 4.35Å; K238-L258 HydrophobicContact CG-CD1 3.53Å |
| 259 | G | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -150.8 | -169.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R237 | R237-G259 PolarHBondContact O-N 3.22Š| ||
| 260 | K | 98.1 | Very high | 97.7 | Very high | 145 Ų | 145 | 57.1 Ų | 57.1 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | trans | -68.9 | 147.1 | 170.6 | -62.7 | 178.3 | -174.9 | 168.5 | 0 | 109.6 | A262 D263 I264 | K260-A262 PolarHBondContact O-N 3.38Å; K260-D263 HydrophobicContact CB-CB 4.17Å; K260-D263 PolarHBondContact O-N 3.36Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.46Å | ||
| 261 | P | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.5 | -47.3 | -178 | -25.7 | 32.2 | 0 | 0 | 0 | 114.8 | S236 R237 D263 I264 E265 | S236-P261 VanDerWaalsContact O-CA 3.24Å; S236-P261 WeakPolarHBondContact O-CA 3.5Å; R237-P261 HydrophobicContact CG-CG 3.83Å; P261-D263 PolarHBondContact O-N 3.27Å; P261-I264 PolarHBondContact O-N 3.37Å; P261-E265 PolarHBondContact O-N 3.17Å |
| 262 | A | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 54% | 0.537 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K260 I264 E265 E266 | K260-A262 PolarHBondContact O-N 3.38Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.3Å; A262-E265 PolarHBondContact O-N 3.37Å; A262-E266 WeakPolarHBondContact O-CB 3.17Å; A262-E266 PolarHBondContact O-N 3.15Å |
| 263 | D | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 178.4 | -64.8 | 0.1 | 0 | 0 | 0 | 111.4 | I172 K260 P261 V267 | I172-D263 HydrophobicContact CB-CB 4.15Å; I172-D263 HydrophobicContact CD1-CB 4.17Å; I172-D263 HydrophobicContact CG2-CB 3.77Å; K260-D263 HydrophobicContact CB-CB 4.17Å; K260-D263 PolarHBondContact O-N 3.36Å; P261-D263 PolarHBondContact O-N 3.27Å; D263-V267 WeakPolarHBondContact O-CG2 3.03Å; D263-V267 PolarHBondContact O-N 3.31Å |
| 264 | I | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -41.9 | -179.1 | -67.4 | -67.7 | 0 | 0 | 0 | 111.6 | I172 L239 I257 K260 P261 A262 E266 V267 F268 | I172-I264 HydrophobicContact CD1-CD1 4.44Å; L239-I264 HydrophobicContact CB-CD1 4.46Å; L239-I264 HydrophobicContact CB-CG2 4.11Å; I257-I264 HydrophobicContact CD1-CD1 3.72Å; I257-I264 HydrophobicContact CG1-CD1 3.83Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.46Å; P261-I264 PolarHBondContact O-N 3.37Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.3Å; I264-E266 VanDerWaalsContact C-N 3.33Å; I264-V267 PolarHBondContact O-N 3.22Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 3.22Å |
| 265 | E | 98.1 | Very high | 98 | Very high | 143 Ų | 143 | 44.9 Ų | 44.9 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.5 | -43.7 | 175.6 | -176.5 | 171.6 | -166.3 | 0 | 0 | 111.2 | P261 A262 F268 R269 | P261-E265 PolarHBondContact O-N 3.17Å; A262-E265 PolarHBondContact O-N 3.37Å; E265-F268 PolarHBondContact O-N 3.48Å; E265-R269 WeakPolarHBondContact O-CB 3.34Å; E265-R269 PolarHBondContact O-N 3.37Å |
| 266 | E | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 178.7 | -175.4 | 68.8 | 174 | 0 | 0 | 112.2 | I170 A262 I264 F268 R269 V270 | I170-E266 HydrophobicContact CD1-CB 3.82Å; I170-E266 HydrophobicContact CD1-CG 3.34Å; A262-E266 WeakPolarHBondContact O-CB 3.17Å; A262-E266 PolarHBondContact O-N 3.15Å; I264-E266 VanDerWaalsContact C-N 3.33Å; E266-F268 VanDerWaalsContact C-N 3.31Å; E266-F268 PolarHBondContact O-N 3.38Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.28Å; E266-R269 IonicContact OE1-CZ 2.8Å; E266-R269 IonicContact OE1-NE 3.74Å; E266-R269 IonicContact OE1-NH2 2.64Å; E266-R269 PolarHBondContact OE1-NH2 3.34Å; E266-R269 IonicContact OE2-CZ 2.77Å; E266-R269 IonicContact OE2-NE 2.76Å; E266-R269 PolarHBondContact OE2-NE 2.94Å; E266-R269 IonicContact OE2-NH2 3.25Å; E266-R269 PolarHBondContact OE2-NH2 3.22Å; E266-V270 WeakPolarHBondContact O-CG2 3.41Å; E266-V270 PolarHBondContact O-N 3.23Å |
| 267 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 111 | I170 I172 L194 I196 L239 I257 D263 I264 R269 V270 L271 | I170-V267 HydrophobicContact CD1-CG2 3.6Å; I170-V267 HydrophobicContact CG1-CG2 4.1Å; I170-V267 HydrophobicContact CG2-CG2 4.41Å; I172-V267 HydrophobicContact CD1-CG2 3.61Å; I172-V267 HydrophobicContact CG1-CG2 3.94Å; I172-V267 HydrophobicContact CG2-CG2 4.05Å; L194-V267 HydrophobicContact CD2-CG1 4.26Å; L194-V267 HydrophobicContact CD2-CG2 4.09Å; I196-V267 HydrophobicContact CD1-CG1 4.14Å; L239-V267 HydrophobicContact CD2-CB 4.36Å; L239-V267 HydrophobicContact CD2-CG1 3.63Å; I257-V267 HydrophobicContact CD1-CG1 4.37Å; D263-V267 WeakPolarHBondContact O-CG2 3.03Å; D263-V267 PolarHBondContact O-N 3.31Å; I264-V267 PolarHBondContact O-N 3.22Å; V267-R269 PolarHBondContact O-N 3.43Å; V267-V270 PolarHBondContact O-N 3.36Å; V267-L271 HydrophobicContact CG1-CD1 3.91Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.34Å; V267-L271 WeakPolarHBondContact O-CG 3.05Å; V267-L271 PolarHBondContact O-N 3.37Å |
| 268 | F | 98.4 | Very high | 97.4 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 177 | 179.8 | -115.9 | 0 | 0 | 0 | 111.6 | V231 P233 L239 I264 E265 E266 L271 Q272 | V231-F268 HydrophobicContact CB-CD2 4.43Å; V231-F268 HydrophobicContact CB-CE2 4.38Å; V231-F268 HydrophobicContact CG1-CD2 3.74Å; V231-F268 HydrophobicContact CG1-CE2 4.1Å; P233-F268 HydrophobicContact CG-CE1 4.27Å; P233-F268 HydrophobicContact CG-CE2 4.1Å; P233-F268 HydrophobicContact CG-CZ 3.94Å; L239-F268 HydrophobicContact CD1-CB 4.08Å; L239-F268 HydrophobicContact CD1-CD2 3.71Å; L239-F268 HydrophobicContact CD1-CG 4.23Å; L239-F268 HydrophobicContact CD2-CB 4.39Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 3.22Å; E265-F268 PolarHBondContact O-N 3.48Å; E266-F268 VanDerWaalsContact C-N 3.31Å; E266-F268 PolarHBondContact O-N 3.38Å; F268-L271 PolarHBondContact O-N 3.18Å; F268-Q272 HydrophobicContact CD1-CG 4.44Å; F268-Q272 HydrophobicContact CD2-CG 4.17Å; F268-Q272 HydrophobicContact CE1-CG 4.09Å; F268-Q272 HydrophobicContact CE2-CG 3.85Å; F268-Q272 HydrophobicContact CG-CG 4.49Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.28Å; F268-Q272 WeakPolarHBondContact O-CG 3.28Å; F268-Q272 PolarHBondContact O-N 3.5Å |
| 269 | R | 98.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 177.4 | -171.2 | -171.3 | 67.6 | 72.9 | -3.7 | 112.1 | E265 E266 V267 L271 Q272 N273 | E265-R269 WeakPolarHBondContact O-CB 3.34Å; E265-R269 PolarHBondContact O-N 3.37Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.28Å; E266-R269 IonicContact OE1-CZ 2.8Å; E266-R269 IonicContact OE1-NE 3.74Å; E266-R269 IonicContact OE1-NH2 2.64Å; E266-R269 PolarHBondContact OE1-NH2 3.34Å; E266-R269 IonicContact OE2-CZ 2.77Å; E266-R269 IonicContact OE2-NE 2.76Å; E266-R269 PolarHBondContact OE2-NE 2.94Å; E266-R269 IonicContact OE2-NH2 3.25Å; E266-R269 PolarHBondContact OE2-NH2 3.22Å; V267-R269 PolarHBondContact O-N 3.43Å; R269-L271 VanDerWaalsContact C-N 3.35Å; R269-L271 PolarHBondContact O-N 3.25Å; R269-Q272 PolarHBondContact O-N 2.95Å; R269-N273 PolarHBondContact NH1-ND2 2.82Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.12Å; R269-N273 VanDerWaalsContact O-N 3.08Å; R269-N273 PolarHBondContact O-OD1 2.92Å |
| 270 | V | 98 | Very high | 96.8 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 9% | 0.085 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L169 I170 I196 E266 V267 A274 | L169-V270 HydrophobicContact CB-CG1 4Å; L169-V270 HydrophobicContact CD1-CG1 3.96Å; I170-V270 HydrophobicContact CG2-CB 4.27Å; I170-V270 HydrophobicContact CG2-CG1 4.12Å; I170-V270 HydrophobicContact CG2-CG2 4.21Å; I196-V270 HydrophobicContact CB-CG1 4.44Å; I196-V270 HydrophobicContact CD1-CB 4.31Å; I196-V270 HydrophobicContact CD1-CG1 3.93Å; I196-V270 HydrophobicContact CG2-CG1 4.15Å; E266-V270 WeakPolarHBondContact O-CG2 3.41Å; E266-V270 PolarHBondContact O-N 3.23Å; V267-V270 PolarHBondContact O-N 3.36Å; V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.13Å |
| 271 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.3 | -72.4 | 172.5 | 0 | 0 | 0 | 112.5 | I196 I209 L225 V231 L239 V267 F268 R269 A274 L275 | I196-L271 HydrophobicContact CD1-CD1 4.27Å; I196-L271 HydrophobicContact CD1-CD2 3.52Å; I196-L271 HydrophobicContact CD1-CG 3.55Å; I196-L271 HydrophobicContact CG1-CD2 4.36Å; I209-L271 HydrophobicContact CD1-CD1 4.36Å; I209-L271 HydrophobicContact CD1-CD2 3.8Å; I209-L271 HydrophobicContact CG1-CD2 3.97Å; L225-L271 HydrophobicContact CD1-CD2 4.16Å; L225-L271 HydrophobicContact CD2-CD2 3.89Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; V231-L271 HydrophobicContact CG2-CB 4.25Å; V231-L271 HydrophobicContact CG2-CD1 4.07Å; L239-L271 HydrophobicContact CD2-CD1 4.17Å; V267-L271 HydrophobicContact CG1-CD1 3.91Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.34Å; V267-L271 WeakPolarHBondContact O-CG 3.05Å; V267-L271 PolarHBondContact O-N 3.37Å; F268-L271 PolarHBondContact O-N 3.18Å; R269-L271 VanDerWaalsContact C-N 3.35Å; R269-L271 PolarHBondContact O-N 3.25Å; L271-A274 PolarHBondContact O-N 3.48Å; L271-L275 WeakPolarHBondContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 3.09Å |
| 272 | Q | 97.3 | Very high | 94.8 | Very high | 51 Ų | 51 | 57 Ų | 57 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.7 | -71.3 | -63.8 | -13.6 | 0 | 0 | 111.2 | F268 R269 A274 L275 E276 | F268-Q272 HydrophobicContact CD1-CG 4.44Å; F268-Q272 HydrophobicContact CD2-CG 4.17Å; F268-Q272 HydrophobicContact CE1-CG 4.09Å; F268-Q272 HydrophobicContact CE2-CG 3.85Å; F268-Q272 HydrophobicContact CG-CG 4.49Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.28Å; F268-Q272 WeakPolarHBondContact O-CG 3.28Å; F268-Q272 PolarHBondContact O-N 3.5Å; R269-Q272 PolarHBondContact O-N 2.95Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 3.48Å; Q272-L275 PolarHBondContact O-N 3.28Å; Q272-E276 WeakPolarHBondContact O-CB 3.15Å; Q272-E276 VanDerWaalsContact O-CG 3.32Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 3.22Å |
| 273 | N | 96.6 | Very high | 93 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 178 | -69.8 | 6.5 | 0 | 0 | 0 | 112.4 | R269 S277 | R269-N273 PolarHBondContact NH1-ND2 2.82Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.12Å; R269-N273 VanDerWaalsContact O-N 3.08Å; R269-N273 PolarHBondContact O-OD1 2.92Å; N273-S277 WeakPolarHBondContact O-CB 3.49Å; N273-S277 PolarHBondContact O-N 2.8Å; N273-S277 PolarHBondContact O-OG 3.22Å |
| 274 | A | 96.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 59 Ų | 59 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | T207 L225 V270 L271 Q272 S277 L278 | T207-A274 HydrophobicContact CG2-CB 4.15Å; L225-A274 HydrophobicContact CD1-CB 3.61Å; V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.13Å; L271-A274 PolarHBondContact O-N 3.48Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 3.48Å; A274-S277 PolarHBondContact O-N 3.47Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.2Å |
| 275 | L | 96.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 177.5 | -70.5 | 170.4 | 0 | 0 | 0 | 112.6 | L225 W226 M229 V231 L271 Q272 L278 K279 | L225-L275 HydrophobicContact CB-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CD2 4.45Å; W226-L275 WeakPolarHBondContact O-CD2 3.05Å; M229-L275 HydrophobicContact CB-CD1 4.49Å; M229-L275 HydrophobicContact CB-CD2 3.79Å; M229-L275 HydrophobicContact CG-CD2 4.4Å; V231-L275 HydrophobicContact CG2-CD1 3.86Å; L271-L275 WeakPolarHBondContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 3.09Å; Q272-L275 PolarHBondContact O-N 3.28Å; L275-L278 PolarHBondContact O-N 3.38Å; L275-K279 VanDerWaalsContact O-CG 3.29Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.07Å |
| 276 | E | 95.5 | Very high | 85.8 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 172.6 | -74 | 171.7 | -173.5 | 0 | 0 | 111.1 | Q272 L278 K279 N280 | Q272-E276 WeakPolarHBondContact O-CB 3.15Å; Q272-E276 VanDerWaalsContact O-CG 3.32Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 3.22Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.18Å; E276-K279 PolarHBondContact O-N 3.22Å; E276-N280 VanDerWaalsContact O-CG 3.26Å; E276-N280 PolarHBondContact O-N 3.19Å; E276-N280 VanDerWaalsContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.41Å |
| 277 | S | 93.9 | Very high | 83.4 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | N273 A274 N280 S281 | N273-S277 WeakPolarHBondContact O-CB 3.49Å; N273-S277 PolarHBondContact O-N 2.8Å; N273-S277 PolarHBondContact O-OG 3.22Å; A274-S277 PolarHBondContact O-N 3.47Å; S277-N280 PolarHBondContact O-N 3.1Å; S277-S281 PolarHBondContact O-N 2.96Å; S277-S281 VanDerWaalsContact O-N 3.16Å; S277-S281 PolarHBondContact O-OG 3.45Å |
| 278 | L | 93.8 | Very high | 80.8 | Confident | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 179.7 | -173.7 | 62.6 | 0 | 0 | 0 | 113.1 | L225 W226 P227 A274 L275 E276 S281 G282 | L225-L278 HydrophobicContact CB-CD2 4.23Å; W226-L278 VanDerWaalsContact C-CD2 3.5Å; P227-L278 HydrophobicContact CG-CD2 4.2Å; P227-L278 HydrophobicContact CG-CG 4.06Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.2Å; L275-L278 PolarHBondContact O-N 3.38Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.18Å; L278-S281 PolarHBondContact O-OG 3.44Å; L278-G282 PolarHBondContact O-N 3.42Å |
| 279 | K | 93.7 | Very high | 78.1 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 174.1 | -73.7 | 168.3 | -176.4 | 176.3 | 0 | 111.1 | P227 L275 E276 S281 G282 T283 | P227-K279 HydrophobicContact CB-CG 4.11Å; P227-K279 WeakPolarHBondContact O-CE 3.35Å; L275-K279 VanDerWaalsContact O-CG 3.29Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.07Å; E276-K279 PolarHBondContact O-N 3.22Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å; K279-G282 PolarHBondContact O-N 3.16Å; K279-G282 VanDerWaalsContact O-N 3.12Å; K279-T283 PolarHBondContact O-N 3.38Å; K279-T283 PolarHBondContact O-OG1 3.18Å |
| 280 | N | 90.7 | Very high | 75.6 | Confident | 116 Ų | 116 | 80.7 Ų | 80.7 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | -179.2 | -64.5 | -20.3 | 0 | 0 | 0 | 112.5 | E276 S277 G282 T283 | E276-N280 VanDerWaalsContact O-CG 3.26Å; E276-N280 PolarHBondContact O-N 3.19Å; E276-N280 VanDerWaalsContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.41Å; S277-N280 PolarHBondContact O-N 3.1Å; N280-G282 VanDerWaalsContact C-N 3.29Å; N280-G282 PolarHBondContact O-N 3.45Å; N280-T283 PolarHBondContact O-N 3.32Å |
| 281 | S | 84 | Confident | 73.2 | Confident | 68 Ų | 68 | 88.6 Ų | 88.6 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -28.9 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | S277 L278 K279 | S277-S281 PolarHBondContact O-N 2.96Å; S277-S281 VanDerWaalsContact O-N 3.16Å; S277-S281 PolarHBondContact O-OG 3.45Å; L278-S281 PolarHBondContact O-OG 3.44Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å |
| 282 | G | 70.1 | Confident | 70.7 | Confident | 43 Ų | 43 | 97.1 Ų | 97.1 | 44% | 0.443 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.5 | -31.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L278 K279 N280 | L278-G282 PolarHBondContact O-N 3.42Å; K279-G282 PolarHBondContact O-N 3.16Å; K279-G282 VanDerWaalsContact O-N 3.12Å; N280-G282 VanDerWaalsContact C-N 3.29Å; N280-G282 PolarHBondContact O-N 3.45Å |
| 283 | T | 60.3 | Low | 68 | Low | 77 Ų | 77 | 102.4 Ų | 102.4 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.8 | -32.1 | -176.9 | -47.1 | 0 | 0 | 0 | 0 | 112.8 | K279 N280 I285 C286 | K279-T283 PolarHBondContact O-N 3.38Å; K279-T283 PolarHBondContact O-OG1 3.18Å; N280-T283 PolarHBondContact O-N 3.32Å; T283-I285 PolarHBondContact O-N 2.89Å; T283-I285 VanDerWaalsContact O-N 3.11Å; T283-C286 PolarHBondContact O-N 3.45Å |
| 284 | S | 53.1 | Low | 65.4 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -19.5 | -176.9 | -163 | 0 | 0 | 0 | 0 | 114.4 | C286 | S284-C286 VanDerWaalsContact C-N 3.33Š|
| 285 | I | 50 | Low | 62.9 | Low | 130 Ų | 130 | 106 Ų | 106 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12.2 | -177.6 | -62.6 | 173 | 0 | 0 | 0 | 112 | T283 | T283-I285 PolarHBondContact O-N 2.89Å; T283-I285 VanDerWaalsContact O-N 3.11Å |
| 286 | C | 40.5 | Very low | 60.5 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -11.6 | -176 | -61.5 | 0 | 0 | 0 | 0 | 114.7 | T283 S284 | T283-C286 PolarHBondContact O-N 3.45Å; S284-C286 VanDerWaalsContact C-N 3.33Å |
| 287 | E | 46.7 | Very low | 57.9 | Low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -96.7 | -15.4 | -174.8 | -66.3 | -173.9 | 165.3 | 0 | 0 | 114.1 | N289 | E287-N289 PolarHBondContact O-N 3.29Š|
| 288 | E | 45.6 | Very low | 55.2 | Low | 160 Ų | 160 | 128.3 Ų | 128.3 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -4.6 | -177.4 | -67.7 | -171.1 | 161.7 | 0 | 0 | 115.1 | ||
| 289 | N | 41.3 | Very low | 52.8 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 1.5 | -176.5 | -72.2 | -55.7 | 0 | 0 | 0 | 115.2 | E287 | E287-N289 PolarHBondContact O-N 3.29Š|
| 290 | E | 46.3 | Very low | 50.3 | Low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.1 | -11.9 | 179.9 | -69.3 | -162.5 | 156.1 | 0 | 0 | 115 | ||
| 291 | E | 46 | Very low | 48.4 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.7 | -12.4 | -177.3 | -91.7 | -172.6 | 156.4 | 0 | 0 | 116.2 | ||
| 292 | E | 46 | Very low | 46.5 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -91.8 | -9.5 | -174.9 | -145.1 | -179.8 | 173.9 | 0 | 0 | 115.3 | ||
| 293 | N | 42 | Very low | 45.6 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -103 | 3.8 | -178.8 | -80.4 | -45.3 | 0 | 0 | 0 | 115.5 | ||
| 294 | G | 40.5 | Very low | 44.9 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -98.9 | -14.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 295 | A | 44.1 | Very low | 45 | Very low | 91 Ų | 91 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -108.2 | 53.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 296 | K | 46.5 | Very low | 44.9 | Very low | 202 Ų | 202 | 155.9 Ų | 155.9 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -140.8 | 44.4 | 173.4 | -82.8 | -172.6 | -178.2 | 164.5 | 0 | 114.9 | ||||
| 297 | R | 40.8 | Very low | 45.8 | Very low | 238 Ų | 238 | 163 Ų | 163 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -150.4 | 83.1 | 166.1 | -69.7 | -169.7 | 179 | 146.6 | 0.9 | 112.4 | ||
| 298 | K | 38.4 | Very low | 46.3 | Very low | 207 Ų | 207 | 167.9 Ų | 167.9 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | trans | 166 | 102.2 | 148.1 | -97 | 164.1 | 178.5 | -179.4 | 0 | 110.8 | ||||
| 299 | T | 43.5 | Very low | 46.6 | Very low | 136 Ų | 136 | 170 Ų | 170 | 83% | 0.834 | 85% | 0.845 | S | S | * | * | trans | -168.1 | 103.9 | 148.3 | 40.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 300 | S | 39.9 | Very low | 47.2 | Very low | 112 Ų | 112 | 176.6 Ų | 176.6 | 78% | 0.783 | 87% | 0.872 | S | S | * | * | 63.4 | 106.7 | 113.9 | 68 | 0 | 0 | 0 | 0 | 115 | |||||
| 301 | D | 50.7 | Low | 47.3 | Very low | 162 Ų | 162 | 176.6 Ų | 176.6 | 87% | 0.866 | 87% | 0.874 | S | S | * | * | trans | -150.7 | 135.2 | 132.9 | -152.7 | 2.5 | 0 | 0 | 0 | 112.7 | ||||
| 302 | V | 45.2 | Very low | 47.3 | Very low | 137 Ų | 137 | 176.3 Ų | 176.3 | 83% | 0.83 | 88% | 0.875 | S | S | * | * | trans | -88.3 | 114.3 | -177.6 | 165.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 303 | G | 49.7 | Very low | 47.4 | Very low | 75 Ų | 75 | 176.1 Ų | 176.1 | 77% | 0.773 | 88% | 0.877 | S | S | * | * | trans | -138.9 | 74.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R305 | G303-R305 PolarHBondContact O-N 3.27Š| ||
| 304 | N | 46.3 | Very low | 47.7 | Very low | 153 Ų | 153 | 177 Ų | 177 | 82% | 0.818 | 88% | 0.878 | S | S | * | * | trans | -40.6 | 123.3 | 171.1 | -161.3 | 13.6 | 0 | 0 | 0 | 114 | ||||
| 305 | R | 54.4 | Low | 48.2 | Very low | 250 Ų | 250 | 183.6 Ų | 183.6 | 94% | 0.943 | 89% | 0.887 | S | S | * | * | trans | -158.9 | 107.2 | 152.3 | -115.4 | 168.6 | -167.5 | 168.7 | 4.6 | 114.4 | G303 | G303-R305 PolarHBondContact O-N 3.27Š| ||
| 306 | K | 49.4 | Very low | 48.4 | Very low | 201 Ų | 201 | 189.7 Ų | 189.7 | 87% | 0.874 | 90% | 0.895 | S | S | * | * | trans | -75.5 | 121.2 | 173.9 | -163 | 179.2 | -167.7 | 175 | 0 | 110.6 | ||||
| 307 | R | 59.3 | Low | 48.6 | Very low | 247 Ų | 247 | 188.9 Ų | 188.9 | 93% | 0.932 | 90% | 0.897 | S | S | * | * | trans | -148.6 | 91.1 | 159.5 | -86.6 | -170.5 | 159.7 | 178.6 | -7.2 | 107.4 | ||||
| 308 | R | 56.1 | Low | 49.2 | Very low | 250 Ų | 250 | 185.1 Ų | 185.1 | 94% | 0.943 | 90% | 0.897 | S | S | * | * | 72.2 | 111.4 | 91.7 | -146.5 | 178.5 | -174.5 | 167.2 | 0.3 | 112.1 | |||||
| 309 | K | 51.8 | Low | 50.1 | Low | 205 Ų | 205 | 183.3 Ų | 183.3 | 89% | 0.891 | 90% | 0.896 | S | S | * | * | trans | -48.6 | 139.6 | 172.1 | -87.8 | 175.2 | 162.9 | 179.9 | 0 | 113 | ||||
| 310 | E | 54.6 | Low | 50.7 | Low | 271 Ų | 271 | 187.5 Ų | 187.5 | 100% | 1.266 | 90% | 0.902 | S | S | * | * | -137 | 0 | 122.2 | -110.2 | 171.9 | 178.7 | 0 | 0 | 107.7 |
Retrieved 310 of 310 residues in 124.4 ms
(Link to these results)